| 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 | 64.7 | Low | 89.1 | Confident | 192 Ų | 192 | 66.9 Ų | 66.9 | 95% | 0.946 | 34% | 0.34 | S | S | * | . | 0 | 124.7 | 0 | -125 | -172.4 | -169.3 | 0 | 0 | 107.9 | |||||
| 2 | A | 80.6 | Confident | 89.5 | Confident | 16 Ų | 16 | 66.5 Ų | 66.5 | 13% | 0.132 | 37% | 0.365 | C | S | . | . | trans | -67 | 145.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L45 Y47 R53 | A2-L45 HydrophobicContact CB-CB 3.66Å; A2-L45 HydrophobicContact CB-CD1 4.32Å; A2-L45 WeakPolarHBondContact CB-O 3.44Å; A2-Y47 HydrophobicContact CB-CD2 4.34Å; A2-Y47 WeakPolarHBondContact O-CD2 3.37Å; A2-R53 PolarHBondContact O-NH2 3.4Å | ||
| 3 | T | 89 | Confident | 89.9 | Confident | 57 Ų | 57 | 64 Ų | 64 | 35% | 0.35 | 35% | 0.353 | S | S | . | . | trans | -113.8 | 162.8 | 179.4 | 68.8 | 0 | 0 | 0 | 0 | 110.3 | K5 D6 I7 | T3-K5 PolarHBondContact O-N 3.07Å; T3-K5 VanDerWaalsContact O-N 3.15Å; T3-K5 WeakPolarHBondContact OG1-CB 3.39Å; T3-K5 PolarHBondContact OG1-N 3.31Å; T3-D6 WeakPolarHBondContact CB-OD2 3.42Å; T3-D6 PolarHBondContact N-OD2 2.89Å; T3-D6 PolarHBondContact O-N 2.96Å; T3-D6 VanDerWaalsContact O-N 3.08Å; T3-D6 PolarHBondContact OG1-N 3.41Å; T3-D6 PolarHBondContact OG1-OD1 3.03Å; T3-D6 PolarHBondContact OG1-OD2 2.82Å; T3-I7 PolarHBondContact O-N 3.39Å | ||
| 4 | L | 90.1 | Very high | 90.2 | Very high | 39 Ų | 39 | 64 Ų | 64 | 20% | 0.204 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57 | -28 | 171 | -72.4 | 169.1 | 0 | 0 | 0 | 111.8 | A8 L15 V18 L22 Y47 | L4-A8 VanDerWaalsContact O-CB 3.25Å; L4-A8 WeakPolarHBondContact O-CB 3.47Å; L4-A8 PolarHBondContact O-N 3.04Å; L4-L15 HydrophobicContact CB-CD1 4.09Å; L4-L15 HydrophobicContact CB-CD2 4.44Å; L4-L15 HydrophobicContact CB-CG 4.01Å; L4-V18 HydrophobicContact CD2-CB 4.45Å; L4-V18 HydrophobicContact CD2-CG1 3.65Å; L4-L22 HydrophobicContact CD2-CD1 3.79Å; L4-Y47 HydrophobicContact CD2-CE1 4.08Å; L4-Y47 HydrophobicContact CD2-CE2 4.26Å; L4-Y47 VanDerWaalsContact CD2-OH 3.31Å; L4-Y47 WeakPolarHBondContact CD2-OH 3.42Å; L4-Y47 HydrophobicContact CG-CE2 4.17Å; L4-Y47 VanDerWaalsContact CG-OH 3.25Å; L4-Y47 WeakPolarHBondContact CG-OH 3.46Å |
| 5 | K | 92.3 | Very high | 90.4 | Very high | 134 Ų | 134 | 65.5 Ų | 65.5 | 58% | 0.583 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -69.6 | -39.7 | 177.9 | -165.4 | -177.7 | 178.8 | -175.6 | 0 | 111.5 | T3 A8 I9 L15 | T3-K5 PolarHBondContact O-N 3.07Å; T3-K5 VanDerWaalsContact O-N 3.15Å; T3-K5 WeakPolarHBondContact OG1-CB 3.39Å; T3-K5 PolarHBondContact OG1-N 3.31Å; K5-A8 PolarHBondContact O-N 3.21Å; K5-I9 HydrophobicContact CG-CD1 4.07Å; K5-I9 VanDerWaalsContact O-CG1 3.25Å; K5-I9 WeakPolarHBondContact O-CG1 3.46Å; K5-I9 PolarHBondContact O-N 2.92Å; K5-L15 HydrophobicContact CB-CD1 3.89Å; K5-L15 HydrophobicContact CG-CD1 4.39Å |
| 6 | D | 92.7 | Very high | 90.5 | Very high | 64 Ų | 64 | 65.1 Ų | 65.1 | 34% | 0.342 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.2 | -44.5 | 177.5 | -53.8 | -40 | 0 | 0 | 0 | 110.4 | T3 A8 I9 E10 L45 | T3-D6 WeakPolarHBondContact CB-OD2 3.42Å; T3-D6 PolarHBondContact N-OD2 2.89Å; T3-D6 PolarHBondContact O-N 2.96Å; T3-D6 VanDerWaalsContact O-N 3.08Å; T3-D6 PolarHBondContact OG1-N 3.41Å; T3-D6 PolarHBondContact OG1-OD1 3.03Å; T3-D6 PolarHBondContact OG1-OD2 2.82Å; D6-A8 PolarHBondContact O-N 3.43Å; D6-I9 PolarHBondContact O-N 3.42Å; D6-E10 WeakPolarHBondContact O-CB 3.28Å; D6-E10 PolarHBondContact O-N 3.45Å; D6-L45 HydrophobicContact CB-CD1 4.13Å |
| 7 | I | 93.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 174.8 | -58.6 | 168.4 | 0 | 0 | 0 | 111 | T3 I9 E10 A11 V18 L22 I38 I41 A42 L45 Y47 | T3-I7 PolarHBondContact O-N 3.39Å; I7-I9 VanDerWaalsContact C-N 3.33Å; I7-I9 PolarHBondContact O-N 3.38Å; I7-E10 PolarHBondContact O-N 3.22Å; I7-A11 WeakPolarHBondContact O-CB 3.35Å; I7-A11 PolarHBondContact O-N 3.21Å; I7-V18 HydrophobicContact CB-CG1 3.88Å; I7-V18 HydrophobicContact CB-CG2 4.48Å; I7-V18 HydrophobicContact CD1-CG1 4.27Å; I7-V18 HydrophobicContact CG2-CB 4.46Å; I7-V18 HydrophobicContact CG2-CG1 3.56Å; I7-V18 HydrophobicContact CG2-CG2 4Å; I7-L22 HydrophobicContact CD1-CD1 3.92Å; I7-I38 HydrophobicContact CG2-CG2 4.09Å; I7-I41 HydrophobicContact CB-CG2 4.22Å; I7-I41 HydrophobicContact CG1-CG2 4.23Å; I7-I41 HydrophobicContact CG2-CB 4.38Å; I7-I41 HydrophobicContact CG2-CG2 3.89Å; I7-A42 HydrophobicContact CD1-CB 3.9Å; I7-L45 HydrophobicContact CG1-CD1 3.97Å; I7-Y47 HydrophobicContact CD1-CD1 3.69Å; I7-Y47 HydrophobicContact CD1-CD2 3.64Å; I7-Y47 HydrophobicContact CD1-CE1 4.27Å; I7-Y47 HydrophobicContact CD1-CE2 4.23Å; I7-Y47 HydrophobicContact CD1-CG 3.36Å |
| 8 | A | 94.9 | Very high | 90.7 | Very high | 9 Ų | 9 | 59.4 Ų | 59.4 | 7% | 0.074 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.4 | -40.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L4 K5 D6 G12 V13 L15 V18 | L4-A8 VanDerWaalsContact O-CB 3.25Å; L4-A8 WeakPolarHBondContact O-CB 3.47Å; L4-A8 PolarHBondContact O-N 3.04Å; K5-A8 PolarHBondContact O-N 3.21Å; D6-A8 PolarHBondContact O-N 3.43Å; A8-G12 PolarHBondContact O-N 2.69Å; A8-V13 WeakPolarHBondContact CB-O 3.48Å; A8-V13 PolarHBondContact O-N 2.88Å; A8-V13 VanDerWaalsContact O-N 3.08Å; A8-L15 HydrophobicContact CB-CB 4.4Å; A8-V18 HydrophobicContact CB-CG2 3.83Å |
| 9 | I | 94.6 | Very high | 90.7 | Very high | 120 Ų | 120 | 58.3 Ų | 58.3 | 62% | 0.615 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -65.5 | -52.1 | 176.4 | -69.5 | 165.6 | 0 | 0 | 0 | 110.3 | K5 D6 I7 A11 G12 | K5-I9 HydrophobicContact CG-CD1 4.07Å; K5-I9 VanDerWaalsContact O-CG1 3.25Å; K5-I9 WeakPolarHBondContact O-CG1 3.46Å; K5-I9 PolarHBondContact O-N 2.92Å; D6-I9 PolarHBondContact O-N 3.42Å; I7-I9 VanDerWaalsContact C-N 3.33Å; I7-I9 PolarHBondContact O-N 3.38Å; I9-A11 VanDerWaalsContact C-N 3.33Å; I9-A11 PolarHBondContact O-N 3.35Å; I9-G12 PolarHBondContact O-N 3.45Å |
| 10 | E | 94.6 | Very high | 90.6 | Very high | 103 Ų | 103 | 59.9 Ų | 59.9 | 48% | 0.481 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.6 | -36.8 | -178 | -170.1 | 106.9 | 165 | 0 | 0 | 111.5 | D6 I7 G12 I41 K44 | D6-E10 WeakPolarHBondContact O-CB 3.28Å; D6-E10 PolarHBondContact O-N 3.45Å; I7-E10 PolarHBondContact O-N 3.22Å; E10-G12 VanDerWaalsContact C-N 3.33Å; E10-I41 HydrophobicContact CB-CD1 4.01Å; E10-I41 HydrophobicContact CB-CG2 3.84Å; E10-I41 HydrophobicContact CG-CD1 3.7Å; E10-I41 HydrophobicContact CG-CG1 3.95Å; E10-I41 HydrophobicContact CG-CG2 3.9Å; E10-K44 IonicContact OE1-NZ 2.84Å; E10-K44 PolarHBondContact OE1-NZ 2.9Å |
| 11 | A | 93.6 | Very high | 90.6 | Very high | 2 Ų | 2 | 57.1 Ų | 57.1 | 2% | 0.017 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -82.6 | -8.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | I7 I9 V13 R37 I38 I41 | I7-A11 WeakPolarHBondContact O-CB 3.35Å; I7-A11 PolarHBondContact O-N 3.21Å; I9-A11 VanDerWaalsContact C-N 3.33Å; I9-A11 PolarHBondContact O-N 3.35Å; A11-V13 VanDerWaalsContact C-N 3.32Å; A11-V13 HydrophobicContact CB-CG2 3.92Å; A11-V13 PolarHBondContact O-N 3.33Å; A11-R37 PolarHBondContact O-NE 3.34Å; A11-R37 VanDerWaalsContact O-NE 3.07Å; A11-R37 PolarHBondContact O-NH2 3.45Å; A11-I38 HydrophobicContact CB-CG1 3.87Å; A11-I41 VanDerWaalsContact CA-CD1 3.49Å; A11-I41 HydrophobicContact CB-CD1 3.64Å |
| 12 | G | 93.7 | Very high | 91.8 | Very high | 62 Ų | 62 | 49.3 Ų | 49.3 | 64% | 0.639 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 34.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | A8 I9 E10 | A8-G12 PolarHBondContact O-N 2.69Å; I9-G12 PolarHBondContact O-N 3.45Å; E10-G12 VanDerWaalsContact C-N 3.33Å |
| 13 | V | 94.8 | Very high | 92 | Very high | 34 Ų | 34 | 52.6 Ų | 52.6 | 21% | 0.206 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -128.2 | 170.6 | -179.4 | -64.9 | 0 | 0 | 0 | 0 | 111.4 | A8 A11 T17 V18 T34 I38 | A8-V13 WeakPolarHBondContact CB-O 3.48Å; A8-V13 PolarHBondContact O-N 2.88Å; A8-V13 VanDerWaalsContact O-N 3.08Å; A11-V13 VanDerWaalsContact C-N 3.32Å; A11-V13 HydrophobicContact CB-CG2 3.92Å; A11-V13 PolarHBondContact O-N 3.33Å; V13-T17 HydrophobicContact CB-CG2 4.21Å; V13-T17 HydrophobicContact CG1-CG2 4.49Å; V13-T17 HydrophobicContact CG2-CG2 4.37Å; V13-V18 HydrophobicContact CG2-CG2 3.52Å; V13-T34 HydrophobicContact CG1-CG2 3.59Å; V13-I38 HydrophobicContact CG2-CD1 3.86Å; V13-I38 HydrophobicContact CG2-CG1 4.11Å |
| 14 | S | 94.3 | Very high | 91.7 | Very high | 64 Ų | 64 | 55.2 Ų | 55.2 | 45% | 0.448 | 31% | 0.311 | S | S | . | . | trans | -69.4 | 150.5 | 175.1 | 82.3 | 0 | 0 | 0 | 0 | 111.4 | A16 T17 V18 | S14-A16 PolarHBondContact O-N 2.78Å; S14-T17 WeakPolarHBondContact O-CB 3.4Å; S14-T17 PolarHBondContact O-N 3.38Å; S14-T17 PolarHBondContact OG-N 2.98Å; S14-T17 PolarHBondContact OG-OG1 3.14Å; S14-V18 PolarHBondContact O-N 2.91Å; S14-V18 VanDerWaalsContact O-N 3.14Å | ||
| 15 | L | 92.5 | Very high | 91.4 | Very high | 87 Ų | 87 | 55.6 Ų | 55.6 | 46% | 0.455 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.6 | -32.2 | 174 | -167 | 134.9 | 0 | 0 | 0 | 112.5 | L4 K5 A8 S19 | L4-L15 HydrophobicContact CB-CD1 4.09Å; L4-L15 HydrophobicContact CB-CD2 4.44Å; L4-L15 HydrophobicContact CB-CG 4.01Å; K5-L15 HydrophobicContact CB-CD1 3.89Å; K5-L15 HydrophobicContact CG-CD1 4.39Å; A8-L15 HydrophobicContact CB-CB 4.4Å; L15-S19 WeakPolarHBondContact O-CB 3.3Å; L15-S19 PolarHBondContact O-N 3.39Å |
| 16 | A | 92.3 | Very high | 90.8 | Very high | 58 Ų | 58 | 55.4 Ų | 55.4 | 48% | 0.479 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.2 | -39.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S14 S19 R20 | S14-A16 PolarHBondContact O-N 2.78Å; A16-S19 PolarHBondContact O-N 2.91Å; A16-R20 WeakPolarHBondContact O-CB 3.33Å; A16-R20 WeakPolarHBondContact O-CG 3.37Å; A16-R20 PolarHBondContact O-N 3.4Å |
| 17 | T | 92.4 | Very high | 90.5 | Very high | 29 Ų | 29 | 57.3 Ų | 57.3 | 18% | 0.178 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63 | -48.1 | 175.9 | -52.4 | 0 | 0 | 0 | 0 | 110.7 | V13 S14 S19 R20 V21 V30 I38 | V13-T17 HydrophobicContact CB-CG2 4.21Å; V13-T17 HydrophobicContact CG1-CG2 4.49Å; V13-T17 HydrophobicContact CG2-CG2 4.37Å; S14-T17 WeakPolarHBondContact O-CB 3.4Å; S14-T17 PolarHBondContact O-N 3.38Å; S14-T17 PolarHBondContact OG-N 2.98Å; S14-T17 PolarHBondContact OG-OG1 3.14Å; T17-S19 PolarHBondContact O-N 3.5Å; T17-R20 PolarHBondContact O-N 3.08Å; T17-V21 WeakPolarHBondContact O-CG2 3.21Å; T17-V21 PolarHBondContact O-N 3.17Å; T17-V30 HydrophobicContact CG2-CG1 3.72Å; T17-I38 HydrophobicContact CG2-CD1 4.13Å |
| 18 | V | 93 | Very high | 90.2 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.4 | -49.3 | 176.2 | 179.3 | 0 | 0 | 0 | 0 | 110.8 | L4 I7 A8 V13 S14 R20 V21 L22 I38 | L4-V18 HydrophobicContact CD2-CB 4.45Å; L4-V18 HydrophobicContact CD2-CG1 3.65Å; I7-V18 HydrophobicContact CB-CG1 3.88Å; I7-V18 HydrophobicContact CB-CG2 4.48Å; I7-V18 HydrophobicContact CD1-CG1 4.27Å; I7-V18 HydrophobicContact CG2-CB 4.46Å; I7-V18 HydrophobicContact CG2-CG1 3.56Å; I7-V18 HydrophobicContact CG2-CG2 4Å; A8-V18 HydrophobicContact CB-CG2 3.83Å; V13-V18 HydrophobicContact CG2-CG2 3.52Å; S14-V18 PolarHBondContact O-N 2.91Å; S14-V18 VanDerWaalsContact O-N 3.14Å; V18-R20 VanDerWaalsContact C-N 3.28Å; V18-R20 PolarHBondContact O-N 2.71Å; V18-V21 PolarHBondContact O-N 2.87Å; V18-L22 HydrophobicContact CG1-CD1 3.7Å; V18-L22 HydrophobicContact CG1-CG 4.18Å; V18-L22 WeakPolarHBondContact O-CG 3.36Å; V18-L22 PolarHBondContact O-N 2.82Å; V18-I38 HydrophobicContact CB-CG2 4.49Å; V18-I38 HydrophobicContact CG1-CG2 4.02Å; V18-I38 HydrophobicContact CG2-CD1 4.49Å; V18-I38 HydrophobicContact CG2-CG1 4.45Å; V18-I38 HydrophobicContact CG2-CG2 4.48Å |
| 19 | S | 89.3 | Confident | 89.9 | Confident | 38 Ų | 38 | 66.3 Ų | 66.3 | 27% | 0.266 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.8 | -38.3 | -179 | -175.1 | 0 | 0 | 0 | 0 | 112.5 | L15 A16 T17 N23 | L15-S19 WeakPolarHBondContact O-CB 3.3Å; L15-S19 PolarHBondContact O-N 3.39Å; A16-S19 PolarHBondContact O-N 2.91Å; T17-S19 PolarHBondContact O-N 3.5Å; S19-N23 WeakPolarHBondContact O-CB 3.39Å; S19-N23 VanDerWaalsContact O-CG 3.26Å; S19-N23 PolarHBondContact O-N 2.97Å; S19-N23 PolarHBondContact O-ND2 2.68Å |
| 20 | R | 90.4 | Very high | 89.6 | Confident | 89 Ų | 89 | 62.2 Ų | 62.2 | 34% | 0.336 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -74.8 | -35.9 | -179.6 | -69.2 | 175.8 | 73.9 | -166.5 | 1.1 | 111.6 | A16 T17 V18 D24 D25 T27 L28 | A16-R20 WeakPolarHBondContact O-CB 3.33Å; A16-R20 WeakPolarHBondContact O-CG 3.37Å; A16-R20 PolarHBondContact O-N 3.4Å; T17-R20 PolarHBondContact O-N 3.08Å; V18-R20 VanDerWaalsContact C-N 3.28Å; V18-R20 PolarHBondContact O-N 2.71Å; R20-D24 PolarHBondContact O-N 2.73Å; R20-D25 HydrophobicContact CB-CB 4.02Å; R20-D25 HydrophobicContact CG-CB 4.46Å; R20-D25 IonicContact CZ-OD2 2.75Å; R20-D25 VanDerWaalsContact CZ-OD2 3.23Å; R20-D25 IonicContact NE-OD2 3.37Å; R20-D25 PolarHBondContact NE-OD2 3.02Å; R20-D25 IonicContact NH2-OD1 2.93Å; R20-D25 IonicContact NH2-OD2 3.83Å; R20-D25 PolarHBondContact NH2-OD2 3.35Å; R20-D25 WeakPolarHBondContact O-CB 3.32Å; R20-D25 PolarHBondContact O-N 2.71Å; R20-T27 PolarHBondContact NH2-O 3.49Å; R20-T27 PolarHBondContact NH2-OG1 3.15Å; R20-L28 HydrophobicContact CB-CB 4.33Å; R20-L28 HydrophobicContact CB-CD1 4.11Å; R20-L28 HydrophobicContact CB-CD2 3.73Å; R20-L28 HydrophobicContact CB-CG 4.27Å |
| 21 | V | 90.5 | Very high | 89.4 | Confident | 3 Ų | 3 | 64.9 Ų | 64.9 | 2% | 0.018 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.2 | -49.2 | 173 | 166.4 | 0 | 0 | 0 | 0 | 111.4 | T17 V18 N23 D24 L28 V30 K35 I38 L39 | T17-V21 WeakPolarHBondContact O-CG2 3.21Å; T17-V21 PolarHBondContact O-N 3.17Å; V18-V21 PolarHBondContact O-N 2.87Å; V21-N23 PolarHBondContact O-N 3.2Å; V21-D24 PolarHBondContact O-N 3.16Å; V21-D24 VanDerWaalsContact O-N 3.09Å; V21-L28 HydrophobicContact CB-CD2 4.42Å; V21-L28 HydrophobicContact CG2-CD2 3.45Å; V21-L28 VanDerWaalsContact CG2-CD2 3.45Å; V21-V30 HydrophobicContact CG2-CG2 4.01Å; V21-K35 HydrophobicContact CG1-CG 3.81Å; V21-K35 HydrophobicContact CG2-CG 4.46Å; V21-I38 HydrophobicContact CB-CD1 4.19Å; V21-I38 HydrophobicContact CB-CG2 4.13Å; V21-I38 HydrophobicContact CG1-CB 4.1Å; V21-I38 HydrophobicContact CG1-CD1 4.41Å; V21-I38 HydrophobicContact CG1-CG2 3.75Å; V21-I38 HydrophobicContact CG2-CD1 3.79Å; V21-L39 HydrophobicContact CG1-CG 4.45Å |
| 22 | L | 88.6 | Confident | 89.1 | Confident | 27 Ų | 27 | 71.6 Ų | 71.6 | 14% | 0.141 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -71.4 | -14.8 | -176.8 | -64.9 | -179.9 | 0 | 0 | 0 | 114.1 | L4 I7 V18 I38 L39 A42 Y47 T49 | L4-L22 HydrophobicContact CD2-CD1 3.79Å; I7-L22 HydrophobicContact CD1-CD1 3.92Å; V18-L22 HydrophobicContact CG1-CD1 3.7Å; V18-L22 HydrophobicContact CG1-CG 4.18Å; V18-L22 WeakPolarHBondContact O-CG 3.36Å; V18-L22 PolarHBondContact O-N 2.82Å; L22-I38 HydrophobicContact CD2-CG2 4.22Å; L22-I38 HydrophobicContact CG-CG2 4.31Å; L22-L39 HydrophobicContact CD2-CD2 3.97Å; L22-A42 HydrophobicContact CD2-CB 3.94Å; L22-Y47 HydrophobicContact CD1-CD1 3.69Å; L22-Y47 HydrophobicContact CD1-CE1 3.44Å; L22-Y47 VanDerWaalsContact CD1-CE1 3.44Å; L22-T49 HydrophobicContact CB-CG2 4.37Å |
| 23 | N | 84.9 | Confident | 89 | Confident | 86 Ų | 86 | 75.6 Ų | 75.6 | 46% | 0.46 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 10 | 173.5 | -67.5 | -31.5 | 0 | 0 | 0 | 112.5 | S19 V21 D25 | S19-N23 WeakPolarHBondContact O-CB 3.39Å; S19-N23 VanDerWaalsContact O-CG 3.26Å; S19-N23 PolarHBondContact O-N 2.97Å; S19-N23 PolarHBondContact O-ND2 2.68Å; V21-N23 PolarHBondContact O-N 3.2Å; N23-D25 VanDerWaalsContact C-N 3.27Å; N23-D25 PolarHBondContact O-N 2.96Å |
| 24 | D | 82.2 | Confident | 88.9 | Confident | 111 Ų | 111 | 75.2 Ų | 75.2 | 59% | 0.594 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.3 | 46.4 | -177 | -88 | -38.8 | 0 | 0 | 0 | 113.7 | R20 V21 P26 K35 | R20-D24 PolarHBondContact O-N 2.73Å; V21-D24 PolarHBondContact O-N 3.16Å; V21-D24 VanDerWaalsContact O-N 3.09Å; D24-P26 VanDerWaalsContact O-CD 3.22Å; D24-P26 WeakPolarHBondContact O-CD 3.5Å; D24-P26 VanDerWaalsContact O-N 3.13Å; D24-K35 IonicContact OD1-NZ 3.44Å; D24-K35 PolarHBondContact OD1-NZ 2.8Å |
| 25 | D | 84.1 | Confident | 88.7 | Confident | 47 Ų | 47 | 74.9 Ų | 74.9 | 25% | 0.251 | 40% | 0.399 | S | S | . | . | trans | -63.2 | 113.1 | 177 | 177.7 | -4.5 | 0 | 0 | 0 | 110.5 | R20 N23 T27 L28 | R20-D25 HydrophobicContact CB-CB 4.02Å; R20-D25 HydrophobicContact CG-CB 4.46Å; R20-D25 IonicContact CZ-OD2 2.75Å; R20-D25 VanDerWaalsContact CZ-OD2 3.23Å; R20-D25 IonicContact NE-OD2 3.37Å; R20-D25 PolarHBondContact NE-OD2 3.02Å; R20-D25 IonicContact NH2-OD1 2.93Å; R20-D25 IonicContact NH2-OD2 3.83Å; R20-D25 PolarHBondContact NH2-OD2 3.35Å; R20-D25 WeakPolarHBondContact O-CB 3.32Å; R20-D25 PolarHBondContact O-N 2.71Å; N23-D25 VanDerWaalsContact C-N 3.27Å; N23-D25 PolarHBondContact O-N 2.96Å; D25-T27 VanDerWaalsContact CG-OG1 3.31Å; D25-T27 PolarHBondContact O-N 2.96Å; D25-T27 VanDerWaalsContact O-N 3.16Å; D25-T27 WeakPolarHBondContact OD1-CB 3.38Å; D25-T27 PolarHBondContact OD1-N 3.34Å; D25-T27 PolarHBondContact OD1-OG1 3.42Å; D25-T27 PolarHBondContact OD2-OG1 2.93Å; D25-L28 HydrophobicContact CB-CB 4.31Å; D25-L28 WeakPolarHBondContact O-CB 3.41Å; D25-L28 PolarHBondContact O-N 3.25Å; D25-L28 VanDerWaalsContact O-N 3.13Å | ||
| 26 | P | 79.8 | Confident | 88.6 | Confident | 130 Ų | 130 | 76.2 Ų | 76.2 | 84% | 0.844 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -13.9 | -175 | 29.8 | -35.8 | 0 | 0 | 0 | 113.2 | D24 | D24-P26 VanDerWaalsContact O-CD 3.22Å; D24-P26 WeakPolarHBondContact O-CD 3.5Å; D24-P26 VanDerWaalsContact O-N 3.13Å |
| 27 | T | 86.6 | Confident | 88.7 | Confident | 104 Ų | 104 | 78.3 Ų | 78.3 | 64% | 0.638 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -4.9 | 178 | 70.1 | 0 | 0 | 0 | 0 | 112.8 | R20 D25 N29 | R20-T27 PolarHBondContact NH2-O 3.49Å; R20-T27 PolarHBondContact NH2-OG1 3.15Å; D25-T27 VanDerWaalsContact CG-OG1 3.31Å; D25-T27 PolarHBondContact O-N 2.96Å; D25-T27 VanDerWaalsContact O-N 3.16Å; D25-T27 WeakPolarHBondContact OD1-CB 3.38Å; D25-T27 PolarHBondContact OD1-N 3.34Å; D25-T27 PolarHBondContact OD1-OG1 3.42Å; D25-T27 PolarHBondContact OD2-OG1 2.93Å; T27-N29 PolarHBondContact O-N 3.16Å |
| 28 | L | 87.3 | Confident | 88.7 | Confident | 33 Ų | 33 | 76.9 Ų | 76.9 | 17% | 0.173 | 39% | 0.389 | C | S | . | . | trans | -81.6 | 117.5 | 178.8 | -178.5 | 73.1 | 0 | 0 | 0 | 110.2 | R20 V21 D25 V30 | R20-L28 HydrophobicContact CB-CB 4.33Å; R20-L28 HydrophobicContact CB-CD1 4.11Å; R20-L28 HydrophobicContact CB-CD2 3.73Å; R20-L28 HydrophobicContact CB-CG 4.27Å; V21-L28 HydrophobicContact CB-CD2 4.42Å; V21-L28 HydrophobicContact CG2-CD2 3.45Å; V21-L28 VanDerWaalsContact CG2-CD2 3.45Å; D25-L28 HydrophobicContact CB-CB 4.31Å; D25-L28 WeakPolarHBondContact O-CB 3.41Å; D25-L28 PolarHBondContact O-N 3.25Å; D25-L28 VanDerWaalsContact O-N 3.13Å; L28-V30 HydrophobicContact CD1-CG1 3.89Å; L28-V30 HydrophobicContact CD2-CB 4.44Å; L28-V30 HydrophobicContact CD2-CG1 3.76Å; L28-V30 HydrophobicContact CD2-CG2 3.81Å; L28-V30 HydrophobicContact CG-CB 4.47Å; L28-V30 HydrophobicContact CG-CG1 3.73Å; L28-V30 HydrophobicContact CG-CG2 4.13Å | ||
| 29 | N | 88.5 | Confident | 88.6 | Confident | 166 Ų | 166 | 80.6 Ų | 80.6 | 89% | 0.888 | 41% | 0.409 | S | S | * | . | trans | -99.2 | 93.7 | 172.7 | -152 | -4.8 | 0 | 0 | 0 | 109.5 | T27 | T27-N29 PolarHBondContact O-N 3.16Š| ||
| 30 | V | 88.6 | Confident | 88.8 | Confident | 34 Ų | 34 | 83.8 Ų | 83.8 | 21% | 0.206 | 42% | 0.42 | C | S | . | . | trans | -119.3 | 150.3 | 173.8 | -72.8 | 0 | 0 | 0 | 0 | 109.5 | T17 V21 L28 E32 K35 | T17-V30 HydrophobicContact CG2-CG1 3.72Å; V21-V30 HydrophobicContact CG2-CG2 4.01Å; L28-V30 HydrophobicContact CD1-CG1 3.89Å; L28-V30 HydrophobicContact CD2-CB 4.44Å; L28-V30 HydrophobicContact CD2-CG1 3.76Å; L28-V30 HydrophobicContact CD2-CG2 3.81Å; L28-V30 HydrophobicContact CG-CB 4.47Å; L28-V30 HydrophobicContact CG-CG1 3.73Å; L28-V30 HydrophobicContact CG-CG2 4.13Å; V30-E32 PolarHBondContact O-N 2.85Å; V30-K35 HydrophobicContact CG2-CB 4.22Å | ||
| 31 | K | 89.8 | Confident | 88.9 | Confident | 158 Ų | 158 | 80.3 Ų | 80.3 | 69% | 0.687 | 41% | 0.407 | S | S | * | . | trans | -60.1 | 139.3 | 172 | -67.7 | -177.8 | 177.3 | -176 | 0 | 109.4 | E33 T34 K35 | K31-E33 PolarHBondContact O-N 3.18Å; K31-T34 WeakPolarHBondContact O-CA 2.97Å; K31-T34 WeakPolarHBondContact O-CB 3.37Å; K31-T34 PolarHBondContact O-N 2.78Å; K31-K35 PolarHBondContact O-N 3.03Å | ||
| 32 | E | 87.9 | Confident | 88.9 | Confident | 144 Ų | 144 | 80.6 Ų | 80.6 | 67% | 0.673 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -52.6 | -39 | 176.1 | -74.2 | -56.4 | 129.3 | 0 | 0 | 112.3 | V30 T34 K35 H36 | V30-E32 PolarHBondContact O-N 2.85Å; E32-T34 VanDerWaalsContact C-N 3.28Å; E32-T34 PolarHBondContact O-N 2.8Å; E32-K35 WeakPolarHBondContact O-CB 3.39Å; E32-K35 PolarHBondContact O-N 3.27Å; E32-K35 VanDerWaalsContact O-N 3.15Å; E32-H36 WeakPolarHBondContact O-CB 3.32Å; E32-H36 PolarHBondContact O-N 2.7Å |
| 33 | E | 92.2 | Very high | 88.9 | Confident | 146 Ų | 146 | 87 Ų | 87 | 68% | 0.682 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -57.7 | -39.1 | 174.4 | -171.6 | -175 | -178.9 | 0 | 0 | 112.7 | K31 R37 | K31-E33 PolarHBondContact O-N 3.18Å; E33-R37 WeakPolarHBondContact O-CB 3.29Å; E33-R37 PolarHBondContact O-N 3.33Å |
| 34 | T | 91.9 | Very high | 89.1 | Confident | 26 Ų | 26 | 89.9 Ų | 89.9 | 16% | 0.16 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -73.2 | -39.3 | 176.8 | -54.3 | 0 | 0 | 0 | 0 | 111.4 | V13 K31 E32 I38 | V13-T34 HydrophobicContact CG1-CG2 3.59Å; K31-T34 WeakPolarHBondContact O-CA 2.97Å; K31-T34 WeakPolarHBondContact O-CB 3.37Å; K31-T34 PolarHBondContact O-N 2.78Å; E32-T34 VanDerWaalsContact C-N 3.28Å; E32-T34 PolarHBondContact O-N 2.8Å; T34-I38 HydrophobicContact CG2-CD1 4.04Å; T34-I38 WeakPolarHBondContact O-CD1 3.39Å; T34-I38 VanDerWaalsContact O-CG1 3.28Å; T34-I38 WeakPolarHBondContact O-CG1 3.34Å; T34-I38 PolarHBondContact O-N 3.26Å; T34-I38 VanDerWaalsContact O-N 3.12Å |
| 35 | K | 91.1 | Very high | 89.4 | Confident | 57 Ų | 57 | 87.2 Ų | 87.2 | 25% | 0.248 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -59.9 | -48.3 | 174.6 | -170.8 | 175.5 | -178 | 172.9 | 0 | 110.3 | V21 D24 V30 K31 E32 I38 L39 | V21-K35 HydrophobicContact CG1-CG 3.81Å; V21-K35 HydrophobicContact CG2-CG 4.46Å; D24-K35 IonicContact OD1-NZ 3.44Å; D24-K35 PolarHBondContact OD1-NZ 2.8Å; V30-K35 HydrophobicContact CG2-CB 4.22Å; K31-K35 PolarHBondContact O-N 3.03Å; E32-K35 WeakPolarHBondContact O-CB 3.39Å; E32-K35 PolarHBondContact O-N 3.27Å; E32-K35 VanDerWaalsContact O-N 3.15Å; K35-I38 PolarHBondContact O-N 3.28Å; K35-L39 HydrophobicContact CG-CD1 4.29Å; K35-L39 WeakPolarHBondContact O-CG 3.28Å; K35-L39 PolarHBondContact O-N 3.45Å; K35-L39 VanDerWaalsContact O-N 3.13Å |
| 36 | H | 90.5 | Very high | 89.4 | Confident | 114 Ų | 114 | 93.2 Ų | 93.2 | 53% | 0.528 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.9 | -48.7 | 179.3 | -164.3 | 64.8 | 0 | 0 | 0 | 112 | E32 I38 L39 E40 | E32-H36 WeakPolarHBondContact O-CB 3.32Å; E32-H36 PolarHBondContact O-N 2.7Å; H36-I38 VanDerWaalsContact C-N 3.3Å; H36-I38 PolarHBondContact O-N 2.94Å; H36-L39 PolarHBondContact O-N 3.37Å; H36-L39 VanDerWaalsContact O-N 3.07Å; H36-E40 IonicContact CD2-OE1 3.54Å; H36-E40 IonicContact NE2-OE1 3.61Å; H36-E40 PolarHBondContact NE2-OE1 2.99Å; H36-E40 PolarHBondContact O-N 3.33Å |
| 37 | R | 93.2 | Very high | 89.5 | Confident | 102 Ų | 102 | 88.4 Ų | 88.4 | 39% | 0.385 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -56.9 | -41 | 177.1 | -175.8 | 169.1 | 70.3 | -159.3 | 3.5 | 112.9 | A11 E33 I41 | A11-R37 PolarHBondContact O-NE 3.34Å; A11-R37 VanDerWaalsContact O-NE 3.07Å; A11-R37 PolarHBondContact O-NH2 3.45Å; E33-R37 WeakPolarHBondContact O-CB 3.29Å; E33-R37 PolarHBondContact O-N 3.33Å; R37-I41 HydrophobicContact CG-CD1 3.75Å; R37-I41 WeakPolarHBondContact O-CB 3.41Å; R37-I41 WeakPolarHBondContact O-CD1 3.44Å; R37-I41 WeakPolarHBondContact O-CG1 3.16Å; R37-I41 PolarHBondContact O-N 3.26Å; R37-I41 VanDerWaalsContact O-N 3.1Å |
| 38 | I | 93.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 89.2 Ų | 89.2 | 0% | 0 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 177.7 | -70.3 | 162.6 | 0 | 0 | 0 | 111.1 | I7 A11 V13 T17 V18 V21 L22 T34 K35 H36 A42 | I7-I38 HydrophobicContact CG2-CG2 4.09Å; A11-I38 HydrophobicContact CB-CG1 3.87Å; V13-I38 HydrophobicContact CG2-CD1 3.86Å; V13-I38 HydrophobicContact CG2-CG1 4.11Å; T17-I38 HydrophobicContact CG2-CD1 4.13Å; V18-I38 HydrophobicContact CB-CG2 4.49Å; V18-I38 HydrophobicContact CG1-CG2 4.02Å; V18-I38 HydrophobicContact CG2-CD1 4.49Å; V18-I38 HydrophobicContact CG2-CG1 4.45Å; V18-I38 HydrophobicContact CG2-CG2 4.48Å; V21-I38 HydrophobicContact CB-CD1 4.19Å; V21-I38 HydrophobicContact CB-CG2 4.13Å; V21-I38 HydrophobicContact CG1-CB 4.1Å; V21-I38 HydrophobicContact CG1-CD1 4.41Å; V21-I38 HydrophobicContact CG1-CG2 3.75Å; V21-I38 HydrophobicContact CG2-CD1 3.79Å; L22-I38 HydrophobicContact CD2-CG2 4.22Å; L22-I38 HydrophobicContact CG-CG2 4.31Å; T34-I38 HydrophobicContact CG2-CD1 4.04Å; T34-I38 WeakPolarHBondContact O-CD1 3.39Å; T34-I38 VanDerWaalsContact O-CG1 3.28Å; T34-I38 WeakPolarHBondContact O-CG1 3.34Å; T34-I38 PolarHBondContact O-N 3.26Å; T34-I38 VanDerWaalsContact O-N 3.12Å; K35-I38 PolarHBondContact O-N 3.28Å; H36-I38 VanDerWaalsContact C-N 3.3Å; H36-I38 PolarHBondContact O-N 2.94Å; I38-A42 WeakPolarHBondContact O-CB 3.44Å; I38-A42 PolarHBondContact O-N 3.13Å |
| 39 | L | 90.3 | Very high | 87.8 | Confident | 77 Ų | 77 | 89.3 Ų | 89.3 | 40% | 0.403 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -67.8 | -45.5 | 179.4 | -68.3 | 170.6 | 0 | 0 | 0 | 111.8 | V21 L22 K35 H36 I41 A42 E43 | V21-L39 HydrophobicContact CG1-CG 4.45Å; L22-L39 HydrophobicContact CD2-CD2 3.97Å; K35-L39 HydrophobicContact CG-CD1 4.29Å; K35-L39 WeakPolarHBondContact O-CG 3.28Å; K35-L39 PolarHBondContact O-N 3.45Å; K35-L39 VanDerWaalsContact O-N 3.13Å; H36-L39 PolarHBondContact O-N 3.37Å; H36-L39 VanDerWaalsContact O-N 3.07Å; L39-I41 VanDerWaalsContact C-N 3.32Å; L39-I41 PolarHBondContact O-N 2.84Å; L39-A42 PolarHBondContact O-N 2.93Å; L39-E43 PolarHBondContact O-N 3.47Å |
| 40 | E | 92.4 | Very high | 86.4 | Confident | 106 Ų | 106 | 84.1 Ų | 84.1 | 50% | 0.495 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.4 | -42.1 | 175.8 | -74.2 | -174 | 141.4 | 0 | 0 | 112 | H36 E43 K44 | H36-E40 IonicContact CD2-OE1 3.54Å; H36-E40 IonicContact NE2-OE1 3.61Å; H36-E40 PolarHBondContact NE2-OE1 2.99Å; H36-E40 PolarHBondContact O-N 3.33Å; E40-E43 PolarHBondContact O-N 3.03Å; E40-K44 VanDerWaalsContact O-CB 3.32Å; E40-K44 WeakPolarHBondContact O-CB 3.23Å; E40-K44 PolarHBondContact O-N 2.83Å |
| 41 | I | 92.8 | Very high | 84.9 | Confident | 15 Ų | 15 | 85.7 Ų | 85.7 | 8% | 0.077 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -68.1 | -39.9 | 178 | -69.6 | 167.5 | 0 | 0 | 0 | 110.9 | I7 E10 A11 R37 L39 E43 K44 L45 | I7-I41 HydrophobicContact CB-CG2 4.22Å; I7-I41 HydrophobicContact CG1-CG2 4.23Å; I7-I41 HydrophobicContact CG2-CB 4.38Å; I7-I41 HydrophobicContact CG2-CG2 3.89Å; E10-I41 HydrophobicContact CB-CD1 4.01Å; E10-I41 HydrophobicContact CB-CG2 3.84Å; E10-I41 HydrophobicContact CG-CD1 3.7Å; E10-I41 HydrophobicContact CG-CG1 3.95Å; E10-I41 HydrophobicContact CG-CG2 3.9Å; A11-I41 VanDerWaalsContact CA-CD1 3.49Å; A11-I41 HydrophobicContact CB-CD1 3.64Å; R37-I41 HydrophobicContact CG-CD1 3.75Å; R37-I41 WeakPolarHBondContact O-CB 3.41Å; R37-I41 WeakPolarHBondContact O-CD1 3.44Å; R37-I41 WeakPolarHBondContact O-CG1 3.16Å; R37-I41 PolarHBondContact O-N 3.26Å; R37-I41 VanDerWaalsContact O-N 3.1Å; L39-I41 VanDerWaalsContact C-N 3.32Å; L39-I41 PolarHBondContact O-N 2.84Å; I41-E43 VanDerWaalsContact C-N 3.31Å; I41-E43 PolarHBondContact O-N 2.85Å; I41-K44 PolarHBondContact O-N 3.25Å; I41-L45 HydrophobicContact CG2-CD1 3.77Å; I41-L45 HydrophobicContact CG2-CG 4.27Å; I41-L45 VanDerWaalsContact O-CB 3.29Å; I41-L45 WeakPolarHBondContact O-CB 3.36Å; I41-L45 VanDerWaalsContact O-CG 3.28Å; I41-L45 WeakPolarHBondContact O-CG 3.28Å; I41-L45 PolarHBondContact O-N 3.12Å |
| 42 | A | 90.5 | Very high | 83.1 | Confident | 10 Ų | 10 | 80.1 Ų | 80.1 | 8% | 0.083 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I7 L22 I38 L39 E46 Y47 | I7-A42 HydrophobicContact CD1-CB 3.9Å; L22-A42 HydrophobicContact CD2-CB 3.94Å; I38-A42 WeakPolarHBondContact O-CB 3.44Å; I38-A42 PolarHBondContact O-N 3.13Å; L39-A42 PolarHBondContact O-N 2.93Å; A42-E46 PolarHBondContact O-N 2.73Å; A42-Y47 WeakPolarHBondContact O-CB 3.25Å; A42-Y47 PolarHBondContact O-N 3.42Å |
| 43 | E | 88 | Confident | 81.3 | Confident | 160 Ų | 160 | 76.7 Ų | 76.7 | 75% | 0.748 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -65.3 | -50.3 | 175 | -171.8 | 174.2 | -167.2 | 0 | 0 | 111.4 | L39 E40 I41 L45 E46 | L39-E43 PolarHBondContact O-N 3.47Å; E40-E43 PolarHBondContact O-N 3.03Å; I41-E43 VanDerWaalsContact C-N 3.31Å; I41-E43 PolarHBondContact O-N 2.85Å; E43-L45 PolarHBondContact O-N 3.39Å; E43-E46 PolarHBondContact O-N 3.11Å |
| 44 | K | 90 | Very high | 79.2 | Confident | 148 Ų | 148 | 77.6 Ų | 77.6 | 64% | 0.643 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -56.6 | -35.6 | 177.1 | -179.5 | -173 | 171.5 | -164.7 | 0 | 113.1 | E10 E40 I41 E46 | E10-K44 IonicContact OE1-NZ 2.84Å; E10-K44 PolarHBondContact OE1-NZ 2.9Å; E40-K44 VanDerWaalsContact O-CB 3.32Å; E40-K44 WeakPolarHBondContact O-CB 3.23Å; E40-K44 PolarHBondContact O-N 2.83Å; I41-K44 PolarHBondContact O-N 3.25Å; K44-E46 VanDerWaalsContact C-N 3.33Å |
| 45 | L | 89.3 | Confident | 77.1 | Confident | 55 Ų | 55 | 82.7 Ų | 82.7 | 29% | 0.288 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 4.3 | -179.7 | -67.3 | -178.8 | 0 | 0 | 0 | 113.5 | A2 D6 I7 I41 E43 Y47 | A2-L45 HydrophobicContact CB-CB 3.66Å; A2-L45 HydrophobicContact CB-CD1 4.32Å; A2-L45 WeakPolarHBondContact CB-O 3.44Å; D6-L45 HydrophobicContact CB-CD1 4.13Å; I7-L45 HydrophobicContact CG1-CD1 3.97Å; I41-L45 HydrophobicContact CG2-CD1 3.77Å; I41-L45 HydrophobicContact CG2-CG 4.27Å; I41-L45 VanDerWaalsContact O-CB 3.29Å; I41-L45 WeakPolarHBondContact O-CB 3.36Å; I41-L45 VanDerWaalsContact O-CG 3.28Å; I41-L45 WeakPolarHBondContact O-CG 3.28Å; I41-L45 PolarHBondContact O-N 3.12Å; E43-L45 PolarHBondContact O-N 3.39Å; L45-Y47 PolarHBondContact O-N 2.89Å; L45-Y47 VanDerWaalsContact O-N 3.16Å |
| 46 | E | 83.3 | Confident | 75.1 | Confident | 172 Ų | 172 | 85.8 Ų | 85.8 | 80% | 0.804 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 38.8 | -174.3 | -59 | -177.3 | 171.3 | 0 | 0 | 112.2 | A42 E43 K44 K48 | A42-E46 PolarHBondContact O-N 2.73Å; E43-E46 PolarHBondContact O-N 3.11Å; K44-E46 VanDerWaalsContact C-N 3.33Å; E46-K48 PolarHBondContact O-N 3.21Å |
| 47 | Y | 82.7 | Confident | 72.9 | Confident | 30 Ų | 30 | 85.9 Ų | 85.9 | 12% | 0.118 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 118.5 | -176.1 | 176.8 | -92.9 | 0 | 0 | 0 | 111 | A2 L4 I7 L22 A42 L45 T49 | A2-Y47 HydrophobicContact CB-CD2 4.34Å; A2-Y47 WeakPolarHBondContact O-CD2 3.37Å; L4-Y47 HydrophobicContact CD2-CE1 4.08Å; L4-Y47 HydrophobicContact CD2-CE2 4.26Å; L4-Y47 VanDerWaalsContact CD2-OH 3.31Å; L4-Y47 WeakPolarHBondContact CD2-OH 3.42Å; L4-Y47 HydrophobicContact CG-CE2 4.17Å; L4-Y47 VanDerWaalsContact CG-OH 3.25Å; L4-Y47 WeakPolarHBondContact CG-OH 3.46Å; I7-Y47 HydrophobicContact CD1-CD1 3.69Å; I7-Y47 HydrophobicContact CD1-CD2 3.64Å; I7-Y47 HydrophobicContact CD1-CE1 4.27Å; I7-Y47 HydrophobicContact CD1-CE2 4.23Å; I7-Y47 HydrophobicContact CD1-CG 3.36Å; L22-Y47 HydrophobicContact CD1-CD1 3.69Å; L22-Y47 HydrophobicContact CD1-CE1 3.44Å; L22-Y47 VanDerWaalsContact CD1-CE1 3.44Å; A42-Y47 WeakPolarHBondContact O-CB 3.25Å; A42-Y47 PolarHBondContact O-N 3.42Å; L45-Y47 PolarHBondContact O-N 2.89Å; L45-Y47 VanDerWaalsContact O-N 3.16Å; Y47-T49 HydrophobicContact CE1-CG2 4.21Å |
| 48 | K | 70.4 | Confident | 70.3 | Confident | 120 Ų | 120 | 83.4 Ų | 83.4 | 52% | 0.522 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -89.8 | 128.3 | 168.6 | -61.1 | -169.9 | 178.3 | -173 | 0 | 110.7 | E46 A52 R53 | E46-K48 PolarHBondContact O-N 3.21Å; K48-A52 HydrophobicContact CB-CB 4.36Å; K48-R53 PolarHBondContact O-NE 3.16Å; K48-R53 PolarHBondContact O-NH2 3.11Å |
| 49 | T | 66.2 | Low | 67.9 | Low | 36 Ų | 36 | 88.5 Ų | 88.5 | 22% | 0.221 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 160.5 | 179 | 59 | 0 | 0 | 0 | 0 | 112.7 | L22 Y47 S51 A52 R53 | L22-T49 HydrophobicContact CB-CG2 4.37Å; Y47-T49 HydrophobicContact CE1-CG2 4.21Å; T49-S51 PolarHBondContact O-N 3.26Å; T49-S51 PolarHBondContact OG1-OG 3.03Å; T49-A52 WeakPolarHBondContact O-CB 3.35Å; T49-A52 PolarHBondContact O-N 3.07Å; T49-A52 VanDerWaalsContact O-N 3.17Å; T49-R53 PolarHBondContact O-N 3.32Å |
| 50 | S | 60 | Low | 66 | Low | 57 Ų | 57 | 88.4 Ų | 88.4 | 40% | 0.399 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.2 | -25.5 | 178.8 | 73 | 0 | 0 | 0 | 0 | 113.4 | R53 K54 | S50-R53 PolarHBondContact O-N 3.37Å; S50-K54 WeakPolarHBondContact O-CB 3.36Å; S50-K54 WeakPolarHBondContact O-CG 3.41Å; S50-K54 PolarHBondContact O-N 2.64Å |
| 51 | S | 56.1 | Low | 64.3 | Low | 66 Ų | 66 | 89.6 Ų | 89.6 | 46% | 0.462 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67 | -44.3 | 171.4 | 49.5 | 0 | 0 | 0 | 0 | 111 | T49 R53 K54 L55 | T49-S51 PolarHBondContact O-N 3.26Å; T49-S51 PolarHBondContact OG1-OG 3.03Å; S51-R53 VanDerWaalsContact C-N 3.29Å; S51-R53 PolarHBondContact O-N 3.22Å; S51-K54 PolarHBondContact O-N 2.79Å; S51-L55 WeakPolarHBondContact O-CD1 3.25Å; S51-L55 PolarHBondContact O-N 3.07Å |
| 52 | A | 52.8 | Low | 63.7 | Low | 41 Ų | 41 | 96.3 Ų | 96.3 | 34% | 0.339 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.1 | -33.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K48 T49 | K48-A52 HydrophobicContact CB-CB 4.36Å; T49-A52 WeakPolarHBondContact O-CB 3.35Å; T49-A52 PolarHBondContact O-N 3.07Å; T49-A52 VanDerWaalsContact O-N 3.17Å |
| 53 | R | 50.8 | Low | 63.8 | Low | 73 Ų | 73 | 97.7 Ų | 97.7 | 28% | 0.275 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -76.6 | -37 | 175.2 | -67.9 | -178.6 | -144.1 | -157 | -3 | 113.7 | A2 K48 T49 S50 S51 L55 Q56 | A2-R53 PolarHBondContact O-NH2 3.4Å; K48-R53 PolarHBondContact O-NE 3.16Å; K48-R53 PolarHBondContact O-NH2 3.11Å; T49-R53 PolarHBondContact O-N 3.32Å; S50-R53 PolarHBondContact O-N 3.37Å; S51-R53 VanDerWaalsContact C-N 3.29Å; S51-R53 PolarHBondContact O-N 3.22Å; R53-L55 VanDerWaalsContact C-N 3.28Å; R53-L55 PolarHBondContact O-N 2.82Å; R53-Q56 WeakPolarHBondContact O-CB 3.26Å; R53-Q56 PolarHBondContact O-N 3.09Å |
| 54 | K | 46.4 | Very low | 64.2 | Low | 165 Ų | 165 | 91 Ų | 91 | 72% | 0.717 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68 | -27.5 | 179.9 | -86.6 | -175.9 | 175.4 | -177.7 | 0 | 112.5 | S50 S51 Q56 | S50-K54 WeakPolarHBondContact O-CB 3.36Å; S50-K54 WeakPolarHBondContact O-CG 3.41Å; S50-K54 PolarHBondContact O-N 2.64Å; S51-K54 PolarHBondContact O-N 2.79Å; K54-Q56 PolarHBondContact O-N 3.35Å |
| 55 | L | 48.6 | Very low | 64.5 | Low | 132 Ų | 132 | 84 Ų | 84 | 69% | 0.691 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -21.5 | 168.4 | -95.3 | 104.3 | 0 | 0 | 0 | 113.2 | S51 R53 | S51-L55 WeakPolarHBondContact O-CD1 3.25Å; S51-L55 PolarHBondContact O-N 3.07Å; R53-L55 VanDerWaalsContact C-N 3.28Å; R53-L55 PolarHBondContact O-N 2.82Å |
| 56 | Q | 49.2 | Very low | 64.9 | Low | 123 Ų | 123 | 81.4 Ų | 81.4 | 58% | 0.575 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -10.3 | -175.6 | -68.1 | -176.1 | -18 | 0 | 0 | 114.7 | R53 K54 | R53-Q56 WeakPolarHBondContact O-CB 3.26Å; R53-Q56 PolarHBondContact O-N 3.09Å; K54-Q56 PolarHBondContact O-N 3.35Å |
| 57 | T | 44.9 | Very low | 65.6 | Low | 116 Ų | 116 | 73.2 Ų | 73.2 | 71% | 0.712 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.9 | -2.5 | -167.3 | 57.5 | 0 | 0 | 0 | 0 | 116.3 | ||
| 58 | G | 38 | Very low | 66.2 | Low | 49 Ų | 49 | 71.8 Ų | 71.8 | 51% | 0.505 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -85.5 | 136.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | V60 | G58-V60 VanDerWaalsContact C-N 3.35Å; G58-V60 WeakPolarHBondContact O-CA 3.37Å; G58-V60 WeakPolarHBondContact O-CG2 3.41Å; G58-V60 PolarHBondContact O-N 2.98Å |
| 59 | A | 42.8 | Very low | 67.4 | Low | 108 Ų | 108 | 66.1 Ų | 66.1 | 89% | 0.893 | 38% | 0.379 | S | S | * | . | trans | -34.6 | 95.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | N61 | A59-N61 PolarHBondContact O-N 2.86Å; A59-N61 VanDerWaalsContact O-N 3.08Å | ||
| 60 | V | 51.5 | Low | 68.7 | Low | 75 Ų | 75 | 65.2 Ų | 65.2 | 46% | 0.455 | 37% | 0.374 | S | S | . | . | trans | -76 | 109.3 | -166.9 | -176.3 | 0 | 0 | 0 | 0 | 104.6 | G58 Q62 | G58-V60 VanDerWaalsContact C-N 3.35Å; G58-V60 WeakPolarHBondContact O-CA 3.37Å; G58-V60 WeakPolarHBondContact O-CG2 3.41Å; G58-V60 PolarHBondContact O-N 2.98Å; V60-Q62 HydrophobicContact CB-CG 4.41Å; V60-Q62 HydrophobicContact CG1-CG 4.17Å; V60-Q62 PolarHBondContact O-N 3.4Å | ||
| 61 | N | 56.3 | Low | 70.1 | Confident | 130 Ų | 130 | 63.1 Ų | 63.1 | 70% | 0.695 | 36% | 0.357 | S | S | * | . | trans | -57.6 | 96.6 | 155.6 | -82.3 | -14.8 | 0 | 0 | 0 | 104.8 | A59 H63 | A59-N61 PolarHBondContact O-N 2.86Å; A59-N61 VanDerWaalsContact O-N 3.08Å; N61-H63 VanDerWaalsContact C-N 3.28Å; N61-H63 PolarHBondContact O-CD2 2.73Å; N61-H63 PolarHBondContact O-N 3.12Å | ||
| 62 | Q | 79.8 | Confident | 71.5 | Confident | 157 Ų | 157 | 64.3 Ų | 64.3 | 73% | 0.734 | 36% | 0.356 | S | S | * | . | trans | -67.3 | 96.3 | 178.4 | -77.3 | -175.3 | -42.6 | 0 | 0 | 106.1 | V60 | V60-Q62 HydrophobicContact CB-CG 4.41Å; V60-Q62 HydrophobicContact CG1-CG 4.17Å; V60-Q62 PolarHBondContact O-N 3.4Å | ||
| 63 | H | 93 | Very high | 73 | Confident | 39 Ų | 39 | 67.4 Ų | 67.4 | 18% | 0.181 | 36% | 0.363 | C | S | . | . | trans | -72.1 | 134.5 | 173.8 | -69.8 | -71.9 | 0 | 0 | 0 | 108.3 | N61 I98 E99 T116 Y301 | N61-H63 VanDerWaalsContact C-N 3.28Å; N61-H63 PolarHBondContact O-CD2 2.73Å; N61-H63 PolarHBondContact O-N 3.12Å; H63-I98 HydrophobicContact CB-CB 4.48Å; H63-I98 HydrophobicContact CB-CG1 4.07Å; H63-I98 HydrophobicContact CB-CG2 4.1Å; H63-I98 WeakPolarHBondContact O-CG2 3.35Å; H63-E99 PolarHBondContact O-N 3.22Å; H63-T116 VanDerWaalsContact CA-OG1 3.28Å; H63-T116 WeakPolarHBondContact CA-OG1 3.38Å; H63-T116 HydrophobicContact CB-CG2 4.3Å; H63-T116 VanDerWaalsContact ND1-CG2 3.3Å; H63-T116 WeakPolarHBondContact ND1-CG2 3.3Å; H63-T116 PolarHBondContact ND1-OG1 3.36Å; H63-T116 VanDerWaalsContact ND1-OG1 3.15Å; H63-Y301 AromaticContact CD2-CE2 3.55Å; H63-Y301 AromaticContact NE2-CE2 3.64Å | ||
| 64 | H | 95.5 | Very high | 74.5 | Confident | 20 Ų | 20 | 69.2 Ų | 69.2 | 9% | 0.093 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 117.6 | 178 | -173.4 | 180 | 0 | 0 | 0 | 108.7 | E99 T101 I112 V115 T116 | H64-E99 CarbonylContact C-O 3.58Å; H64-E99 WeakPolarHBondContact CA-O 3.27Å; H64-E99 HydrophobicContact CB-CB 4.38Å; H64-E99 PolarHBondContact CD2-O 2.91Å; H64-E99 IonicContact CE1-OE1 3.9Å; H64-T101 PolarHBondContact NE2-OG1 3.47Å; H64-I112 WeakPolarHBondContact CE1-CG2 3.4Å; H64-V115 CarbonylContact O-C 3.59Å; H64-V115 WeakPolarHBondContact O-CA 3.32Å; H64-T116 PolarHBondContact N-OG1 2.97Å; H64-T116 WeakPolarHBondContact O-CB 3.48Å; H64-T116 PolarHBondContact O-N 3.44Å |
| 65 | I | 97.3 | Very high | 76.2 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 134.2 | 174.6 | -68.7 | 174.9 | 0 | 0 | 0 | 109.2 | I98 E99 L100 T101 G117 L119 V297 V300 | I65-I98 HydrophobicContact CB-CG2 4.08Å; I65-I98 HydrophobicContact CD1-CD1 4.04Å; I65-I98 HydrophobicContact CD1-CG2 3.74Å; I65-I98 HydrophobicContact CG1-CG2 3.69Å; I65-E99 PolarHBondContact N-O 2.95Å; I65-L100 HydrophobicContact CB-CD1 4.43Å; I65-L100 HydrophobicContact CG2-CD1 4.18Å; I65-L100 WeakPolarHBondContact O-CA 3.4Å; I65-T101 PolarHBondContact O-N 2.78Å; I65-G117 WeakPolarHBondContact CA-O 3.43Å; I65-L119 HydrophobicContact CG2-CD1 3.83Å; I65-L119 HydrophobicContact CG2-CG 3.75Å; I65-V297 HydrophobicContact CD1-CG1 4.06Å; I65-V300 HydrophobicContact CD1-CB 4.44Å; I65-V300 HydrophobicContact CD1-CG1 3.93Å; I65-V300 HydrophobicContact CG1-CG1 4.05Å |
| 66 | L | 97.2 | Very high | 77.9 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 118.8 | 168.1 | 172.2 | 62.4 | 0 | 0 | 0 | 108.8 | I68 T101 L109 P110 I112 V115 G117 I118 L119 L135 | L66-I68 HydrophobicContact CD1-CG1 4.41Å; L66-I68 HydrophobicContact CD2-CD1 4.06Å; L66-I68 HydrophobicContact CD2-CG1 4.17Å; L66-I68 HydrophobicContact CG-CD1 4.25Å; L66-I68 HydrophobicContact CG-CG1 3.86Å; L66-T101 HydrophobicContact CD1-CG2 4.28Å; L66-L109 HydrophobicContact CD2-CD2 4.13Å; L66-P110 HydrophobicContact CD1-CG 3.8Å; L66-P110 HydrophobicContact CD2-CG 4.46Å; L66-I112 HydrophobicContact CD1-CD1 4.01Å; L66-V115 HydrophobicContact CB-CG1 4.11Å; L66-G117 PolarHBondContact N-O 2.69Å; L66-G117 VanDerWaalsContact N-O 3.13Å; L66-I118 HydrophobicContact CB-CG1 4.25Å; L66-I118 HydrophobicContact CD2-CD1 4.39Å; L66-I118 HydrophobicContact CD2-CG1 4.42Å; L66-I118 CarbonylContact O-C 3.53Å; L66-I118 VanDerWaalsContact O-CA 3.27Å; L66-I118 WeakPolarHBondContact O-CA 3.41Å; L66-L119 PolarHBondContact O-N 3.07Å; L66-L135 HydrophobicContact CD2-CD1 4.41Å |
| 67 | A | 97.7 | Very high | 79.4 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 122.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y69 I89 L100 T101 N102 C103 L119 | A67-Y69 HydrophobicContact CB-CE2 4.35Å; A67-I89 HydrophobicContact CB-CD1 4.48Å; A67-I89 HydrophobicContact CB-CG2 4.27Å; A67-L100 HydrophobicContact CB-CD1 3.79Å; A67-T101 PolarHBondContact N-O 2.77Å; A67-N102 WeakPolarHBondContact O-CA 3.4Å; A67-C103 PolarHBondContact O-N 3.28Å; A67-L119 CarbonylContact C-O 3.5Å; A67-L119 WeakPolarHBondContact CA-O 3.48Å; A67-L119 HydrophobicContact CB-CB 4.33Å |
| 68 | I | 96.6 | Very high | 80.7 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 122.6 | -176.4 | -47.2 | 170.4 | 0 | 0 | 0 | 108.8 | L66 C103 L109 I118 L119 I120 V121 L128 | L66-I68 HydrophobicContact CD1-CG1 4.41Å; L66-I68 HydrophobicContact CD2-CD1 4.06Å; L66-I68 HydrophobicContact CD2-CG1 4.17Å; L66-I68 HydrophobicContact CG-CD1 4.25Å; L66-I68 HydrophobicContact CG-CG1 3.86Å; I68-C103 CarbonylContact C-O 3.58Å; I68-C103 VanDerWaalsContact CA-O 3.31Å; I68-C103 WeakPolarHBondContact CA-O 3.48Å; I68-L109 HydrophobicContact CD1-CD2 3.37Å; I68-L109 HydrophobicContact CG1-CD2 4.07Å; I68-I118 HydrophobicContact CD1-CG2 3.4Å; I68-I118 HydrophobicContact CG1-CG2 3.97Å; I68-L119 PolarHBondContact N-O 2.92Å; I68-I120 HydrophobicContact CB-CG1 4.37Å; I68-I120 HydrophobicContact CD1-CG1 4.22Å; I68-I120 CarbonylContact O-C 3.26Å; I68-I120 WeakPolarHBondContact O-CA 3.28Å; I68-V121 PolarHBondContact O-N 2.82Å; I68-L128 HydrophobicContact CD1-CD1 4.03Å; I68-L128 HydrophobicContact CG2-CD1 3.97Å; I68-L128 HydrophobicContact CG2-CD2 3.83Å |
| 69 | Y | 95.5 | Very high | 82.5 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 110 | 179.2 | -55.2 | -76.6 | 0 | 0 | 0 | 109.5 | A67 Y71 R86 I89 N102 C103 Y104 E105 V121 | A67-Y69 HydrophobicContact CB-CE2 4.35Å; Y69-Y71 AromaticContact CD1-CE1 3.87Å; Y69-Y71 HydrophobicContact CD1-CE1 3.87Å; Y69-Y71 AromaticContact CD1-CZ 3.62Å; Y69-Y71 WeakPolarHBondContact CD1-OH 3.18Å; Y69-Y71 HydrophobicContact CG-CE1 4.35Å; Y69-Y71 PolarHBondContact O-N 2.82Å; Y69-R86 HydrophobicContact CE1-CB 4.02Å; Y69-R86 HydrophobicContact CE1-CG 4.46Å; Y69-R86 VanDerWaalsContact CG-NH2 3.31Å; Y69-R86 WeakPolarHBondContact OH-CG 3.3Å; Y69-R86 PolarHBondContact OH-NE 3.47Å; Y69-I89 HydrophobicContact CE1-CD1 4.41Å; Y69-N102 HydrophobicContact CE2-CB 3.9Å; Y69-N102 WeakPolarHBondContact CE2-OD1 3.46Å; Y69-N102 PolarHBondContact OH-OD1 3Å; Y69-C103 VanDerWaalsContact CD2-O 3.24Å; Y69-C103 WeakPolarHBondContact CD2-O 3.23Å; Y69-C103 PolarHBondContact N-O 3.36Å; Y69-Y104 HydrophobicContact CD2-CE1 4.41Å; Y69-Y104 HydrophobicContact CG-CD1 4.43Å; Y69-Y104 HydrophobicContact CG-CE1 4.33Å; Y69-E105 PolarHBondContact O-N 2.8Å; Y69-V121 HydrophobicContact CD1-CB 3.95Å; Y69-V121 HydrophobicContact CD1-CG2 3.82Å; Y69-V121 HydrophobicContact CE1-CB 4.46Å; Y69-V121 HydrophobicContact CE1-CG2 3.84Å |
| 70 | S | 93.3 | Very high | 84.7 | Confident | 18 Ų | 18 | 55.5 Ų | 55.5 | 13% | 0.126 | 28% | 0.283 | C | S | . | . | trans | -89.7 | 46.2 | -177.8 | -167.3 | 0 | 0 | 0 | 0 | 111.1 | E105 V121 K123 P124 | S70-E105 WeakPolarHBondContact CA-OE2 3.48Å; S70-E105 WeakPolarHBondContact CB-OE2 3.17Å; S70-E105 PolarHBondContact OG-OE2 3.33Å; S70-V121 WeakPolarHBondContact CB-O 3.35Å; S70-V121 PolarHBondContact N-O 2.83Å; S70-K123 PolarHBondContact OG-O 3.5Å; S70-P124 WeakPolarHBondContact OG-CA 3.26Å | ||
| 71 | Y | 88.2 | Confident | 86.5 | Confident | 12 Ų | 12 | 52.6 Ų | 52.6 | 5% | 0.047 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -151 | 163.5 | 177.8 | 55.7 | -103.8 | 0 | 0 | 0 | 109.7 | Y69 E76 Y82 Y104 V121 | Y69-Y71 AromaticContact CD1-CE1 3.87Å; Y69-Y71 HydrophobicContact CD1-CE1 3.87Å; Y69-Y71 AromaticContact CD1-CZ 3.62Å; Y69-Y71 WeakPolarHBondContact CD1-OH 3.18Å; Y69-Y71 HydrophobicContact CG-CE1 4.35Å; Y69-Y71 PolarHBondContact O-N 2.82Å; Y71-E76 HydrophobicContact CE2-CG 3.71Å; Y71-E76 WeakPolarHBondContact CE2-OE1 3.43Å; Y71-E76 PolarHBondContact OH-OE1 2.86Å; Y71-E76 VanDerWaalsContact OH-OE1 3.11Å; Y71-Y82 AromaticContact CD1-CD1 3.72Å; Y71-Y82 HydrophobicContact CD1-CD1 3.72Å; Y71-Y82 AromaticContact CD1-CE1 3.68Å; Y71-Y82 HydrophobicContact CD1-CE1 3.68Å; Y71-Y82 HydrophobicContact CD1-CG 4.27Å; Y71-Y82 AromaticContact CE1-CD1 3.31Å; Y71-Y82 HydrophobicContact CE1-CD1 3.31Å; Y71-Y82 AromaticContact CE1-CE1 3.74Å; Y71-Y82 HydrophobicContact CE1-CE1 3.74Å; Y71-Y82 AromaticContact CE1-CG 3.88Å; Y71-Y82 HydrophobicContact CE1-CG 3.88Å; Y71-Y82 HydrophobicContact CE2-CD1 4.42Å; Y71-Y82 HydrophobicContact CE2-CG 4.16Å; Y71-Y82 HydrophobicContact CG-CD1 4.41Å; Y71-Y82 HydrophobicContact CG-CE1 4.39Å; Y71-Y82 AromaticContact CZ-CD1 3.7Å; Y71-Y82 AromaticContact CZ-CG 3.81Å; Y71-Y104 HydrophobicContact CE2-CE1 4.14Å; Y71-V121 HydrophobicContact CE1-CB 4.02Å; Y71-V121 HydrophobicContact CE1-CG1 3.75Å |
| 72 | Q | 85.4 | Confident | 88.2 | Confident | 91 Ų | 91 | 48.2 Ų | 48.2 | 43% | 0.425 | 24% | 0.238 | S | C | . | . | trans | -72.5 | 135.8 | 177.7 | -64.4 | -61.4 | -20.6 | 0 | 0 | 110.6 | E74 L75 H106 | Q72-E74 WeakPolarHBondContact CB-OE2 3.25Å; Q72-E74 PolarHBondContact O-N 3.49Å; Q72-E74 VanDerWaalsContact O-N 3.14Å; Q72-L75 HydrophobicContact CB-CD1 4.33Å; Q72-L75 VanDerWaalsContact O-CB 3.31Å; Q72-L75 WeakPolarHBondContact O-CB 3.41Å; Q72-L75 PolarHBondContact O-N 3.31Å; Q72-H106 PolarHBondContact NE2-CD2 3.27Å; Q72-H106 PolarHBondContact NE2-CE1 2.94Å; Q72-H106 PolarHBondContact NE2-NE2 3.16Å | ||
| 73 | Q | 84.8 | Confident | 88.8 | Confident | 107 Ų | 107 | 45 Ų | 45 | 50% | 0.5 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -31.3 | -177.7 | 176.7 | 164.9 | 14.9 | 0 | 0 | 112.4 | L75 E76 Y104 | Q73-L75 PolarHBondContact O-N 3.08Å; Q73-L75 VanDerWaalsContact O-N 3.16Å; Q73-E76 WeakPolarHBondContact O-CB 3.37Å; Q73-E76 PolarHBondContact O-N 3.44Å; Q73-E76 VanDerWaalsContact O-N 3.1Å; Q73-Y104 HydrophobicContact CB-CD1 4.23Å; Q73-Y104 HydrophobicContact CB-CE1 3.7Å; Q73-Y104 HydrophobicContact CB-CE2 4.21Å; Q73-Y104 HydrophobicContact CG-CE1 4.18Å; Q73-Y104 HydrophobicContact CG-CE2 4.18Å; Q73-Y104 VanDerWaalsContact CG-OH 3.29Å; Q73-Y104 WeakPolarHBondContact CG-OH 3.25Å |
| 74 | E | 83 | Confident | 88.9 | Confident | 111 Ų | 111 | 44 Ų | 44 | 52% | 0.519 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.4 | -21.5 | 177.4 | -62.5 | 75 | -164.4 | 0 | 0 | 113.1 | Q72 E76 I77 N78 | Q72-E74 WeakPolarHBondContact CB-OE2 3.25Å; Q72-E74 PolarHBondContact O-N 3.49Å; Q72-E74 VanDerWaalsContact O-N 3.14Å; E74-E76 VanDerWaalsContact C-N 3.31Å; E74-E76 PolarHBondContact O-N 3.01Å; E74-I77 PolarHBondContact O-N 3.33Å; E74-N78 PolarHBondContact O-ND2 2.95Å |
| 75 | L | 81.9 | Confident | 88.9 | Confident | 62 Ų | 62 | 43 Ų | 43 | 33% | 0.325 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.8 | -32.4 | 175.4 | -72.8 | 163.9 | 0 | 0 | 0 | 111.9 | Q72 Q73 I77 N78 D79 Y82 | Q72-L75 HydrophobicContact CB-CD1 4.33Å; Q72-L75 VanDerWaalsContact O-CB 3.31Å; Q72-L75 WeakPolarHBondContact O-CB 3.41Å; Q72-L75 PolarHBondContact O-N 3.31Å; Q73-L75 PolarHBondContact O-N 3.08Å; Q73-L75 VanDerWaalsContact O-N 3.16Å; L75-I77 VanDerWaalsContact C-N 3.25Å; L75-I77 PolarHBondContact O-N 3.29Å; L75-N78 PolarHBondContact O-N 2.65Å; L75-N78 VanDerWaalsContact O-N 3.16Å; L75-D79 PolarHBondContact O-N 3.36Å; L75-Y82 HydrophobicContact CB-CD2 4.42Å |
| 76 | E | 83.6 | Confident | 88.9 | Confident | 24 Ų | 24 | 44.2 Ų | 44.2 | 11% | 0.112 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.1 | -27.3 | 178.3 | -62.6 | -180 | -179.7 | 0 | 0 | 113 | Y71 Q73 E74 N78 R86 Y104 | Y71-E76 HydrophobicContact CE2-CG 3.71Å; Y71-E76 WeakPolarHBondContact CE2-OE1 3.43Å; Y71-E76 PolarHBondContact OH-OE1 2.86Å; Y71-E76 VanDerWaalsContact OH-OE1 3.11Å; Q73-E76 WeakPolarHBondContact O-CB 3.37Å; Q73-E76 PolarHBondContact O-N 3.44Å; Q73-E76 VanDerWaalsContact O-N 3.1Å; E74-E76 VanDerWaalsContact C-N 3.31Å; E74-E76 PolarHBondContact O-N 3.01Å; E76-N78 VanDerWaalsContact C-N 3.3Å; E76-R86 IonicContact OE1-CZ 2.93Å; E76-R86 IonicContact OE1-NE 3.87Å; E76-R86 IonicContact OE1-NH1 2.92Å; E76-R86 PolarHBondContact OE1-NH1 3.07Å; E76-R86 IonicContact OE1-NH2 2.65Å; E76-R86 PolarHBondContact OE1-NH2 3.42Å; E76-R86 IonicContact OE2-CZ 3.54Å; E76-R86 IonicContact OE2-NH1 2.67Å; E76-R86 PolarHBondContact OE2-NH1 2.85Å; E76-R86 IonicContact OE2-NH2 3.87Å; E76-Y104 VanDerWaalsContact CD-OH 3.29Å; E76-Y104 PolarHBondContact OE1-OH 2.86Å; E76-Y104 PolarHBondContact OE2-OH 3.35Å |
| 77 | I | 80.6 | Confident | 88.8 | Confident | 140 Ų | 140 | 48.6 Ų | 48.6 | 72% | 0.718 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -69.4 | -35.7 | 176 | -59.6 | 175.6 | 0 | 0 | 0 | 109.9 | E74 L75 | E74-I77 PolarHBondContact O-N 3.33Å; L75-I77 VanDerWaalsContact C-N 3.25Å; L75-I77 PolarHBondContact O-N 3.29Å |
| 78 | N | 72 | Confident | 88.8 | Confident | 116 Ų | 116 | 48.9 Ų | 48.9 | 62% | 0.62 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -97.8 | -22.5 | -172.2 | -64.8 | -60.9 | 0 | 0 | 0 | 113.3 | E74 L75 E76 | E74-N78 PolarHBondContact O-ND2 2.95Å; L75-N78 PolarHBondContact O-N 2.65Å; L75-N78 VanDerWaalsContact O-N 3.16Å; E76-N78 VanDerWaalsContact C-N 3.3Å |
| 79 | D | 77.6 | Confident | 88.9 | Confident | 16 Ų | 16 | 48.9 Ų | 48.9 | 9% | 0.086 | 25% | 0.247 | C | C | . | . | trans | -132.5 | 105.8 | -178.6 | -162 | -22.2 | 0 | 0 | 0 | 111.4 | L75 Y81 | L75-D79 PolarHBondContact O-N 3.36Å; D79-Y81 PolarHBondContact O-N 2.98Å; D79-Y81 WeakPolarHBondContact OD1-CB 3.42Å; D79-Y81 PolarHBondContact OD1-N 2.5Å | ||
| 80 | P | 87.2 | Confident | 89 | Confident | 46 Ų | 46 | 52.2 Ų | 52.2 | 30% | 0.299 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.1 | -14.5 | 175.2 | -25.4 | 35.1 | 0 | 0 | 0 | 114.6 | L83 A84 I272 | P80-L83 PolarHBondContact O-N 3.35Å; P80-A84 WeakPolarHBondContact O-CB 3.32Å; P80-A84 PolarHBondContact O-N 3.03Å; P80-I272 HydrophobicContact CG-CB 4.31Å |
| 81 | Y | 90.9 | Very high | 89.3 | Confident | 14 Ų | 14 | 54.3 Ų | 54.3 | 6% | 0.055 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55 | -53.5 | 178.7 | 174.9 | -107 | 0 | 0 | 0 | 112.8 | D79 A84 I85 D143 I156 N270 I287 M292 | D79-Y81 PolarHBondContact O-N 2.98Å; D79-Y81 WeakPolarHBondContact OD1-CB 3.42Å; D79-Y81 PolarHBondContact OD1-N 2.5Å; Y81-A84 WeakPolarHBondContact O-CB 3.47Å; Y81-A84 PolarHBondContact O-N 2.86Å; Y81-I85 HydrophobicContact CD1-CD1 4.36Å; Y81-I85 HydrophobicContact CE1-CD1 3.74Å; Y81-I85 HydrophobicContact CE2-CD1 4.4Å; Y81-I85 PolarHBondContact O-N 2.97Å; Y81-D143 WeakPolarHBondContact CE1-OD2 3.45Å; Y81-D143 PolarHBondContact OH-OD1 2.78Å; Y81-I156 WeakPolarHBondContact OH-CD1 3.5Å; Y81-N270 HydrophobicContact CD2-CB 4.46Å; Y81-I287 HydrophobicContact CE2-CB 4.48Å; Y81-I287 HydrophobicContact CE2-CG2 3.97Å; Y81-M292 HydrophobicContact CE2-SD 4.49Å |
| 82 | Y | 92 | Very high | 89.7 | Confident | 38 Ų | 38 | 54.9 Ų | 54.9 | 15% | 0.149 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.8 | -36.4 | -178 | -76 | -62.2 | 0 | 0 | 0 | 112.5 | Y71 L75 A84 I85 R86 V121 D143 | Y71-Y82 AromaticContact CD1-CD1 3.72Å; Y71-Y82 HydrophobicContact CD1-CD1 3.72Å; Y71-Y82 AromaticContact CD1-CE1 3.68Å; Y71-Y82 HydrophobicContact CD1-CE1 3.68Å; Y71-Y82 HydrophobicContact CD1-CG 4.27Å; Y71-Y82 AromaticContact CE1-CD1 3.31Å; Y71-Y82 HydrophobicContact CE1-CD1 3.31Å; Y71-Y82 AromaticContact CE1-CE1 3.74Å; Y71-Y82 HydrophobicContact CE1-CE1 3.74Å; Y71-Y82 AromaticContact CE1-CG 3.88Å; Y71-Y82 HydrophobicContact CE1-CG 3.88Å; Y71-Y82 HydrophobicContact CE2-CD1 4.42Å; Y71-Y82 HydrophobicContact CE2-CG 4.16Å; Y71-Y82 HydrophobicContact CG-CD1 4.41Å; Y71-Y82 HydrophobicContact CG-CE1 4.39Å; Y71-Y82 AromaticContact CZ-CD1 3.7Å; Y71-Y82 AromaticContact CZ-CG 3.81Å; L75-Y82 HydrophobicContact CB-CD2 4.42Å; Y82-A84 VanDerWaalsContact C-N 3.28Å; Y82-A84 PolarHBondContact O-N 3.4Å; Y82-I85 HydrophobicContact CD1-CD1 4.3Å; Y82-I85 PolarHBondContact O-N 3.46Å; Y82-R86 PolarHBondContact O-N 3.02Å; Y82-V121 HydrophobicContact CD1-CG1 4.33Å; Y82-D143 WeakPolarHBondContact CE1-OD2 3.2Å |
| 83 | L | 92.5 | Very high | 90.3 | Very high | 90 Ų | 90 | 50.7 Ų | 50.7 | 47% | 0.471 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61 | -39.9 | 174.9 | -176.9 | 62 | 0 | 0 | 0 | 111.5 | P80 R86 H87 | P80-L83 PolarHBondContact O-N 3.35Å; L83-R86 PolarHBondContact O-N 2.86Å; L83-H87 WeakPolarHBondContact O-CB 3.48Å; L83-H87 PolarHBondContact O-N 3.18Å |
| 84 | A | 94 | Very high | 90.8 | Very high | 18 Ų | 18 | 53.1 Ų | 53.1 | 15% | 0.149 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.2 | -38.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | P80 Y81 Y82 H87 G88 S289 E290 | P80-A84 WeakPolarHBondContact O-CB 3.32Å; P80-A84 PolarHBondContact O-N 3.03Å; Y81-A84 WeakPolarHBondContact O-CB 3.47Å; Y81-A84 PolarHBondContact O-N 2.86Å; Y82-A84 VanDerWaalsContact C-N 3.28Å; Y82-A84 PolarHBondContact O-N 3.4Å; A84-H87 PolarHBondContact O-N 3.37Å; A84-G88 PolarHBondContact O-N 3.26Å; A84-S289 WeakPolarHBondContact CB-OG 3.26Å; A84-E290 HydrophobicContact CB-CG 3.95Å; A84-E290 VanDerWaalsContact O-CA 3.31Å; A84-E290 WeakPolarHBondContact O-CA 3.19Å; A84-E290 WeakPolarHBondContact O-CG 3.44Å |
| 85 | I | 96.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.7 | -51.7 | 172.4 | -61.9 | 175.9 | 0 | 0 | 0 | 110.4 | Y81 Y82 H87 G88 I89 V121 I142 D143 M292 G293 | Y81-I85 HydrophobicContact CD1-CD1 4.36Å; Y81-I85 HydrophobicContact CE1-CD1 3.74Å; Y81-I85 HydrophobicContact CE2-CD1 4.4Å; Y81-I85 PolarHBondContact O-N 2.97Å; Y82-I85 HydrophobicContact CD1-CD1 4.3Å; Y82-I85 PolarHBondContact O-N 3.46Å; I85-H87 VanDerWaalsContact C-N 3.31Å; I85-H87 PolarHBondContact O-N 3.17Å; I85-G88 PolarHBondContact O-N 2.84Å; I85-G88 VanDerWaalsContact O-N 3.11Å; I85-I89 HydrophobicContact CG2-CD1 4.28Å; I85-I89 WeakPolarHBondContact O-CG1 3.26Å; I85-I89 PolarHBondContact O-N 3.06Å; I85-V121 HydrophobicContact CD1-CG1 4.15Å; I85-V121 HydrophobicContact CG2-CG1 3.88Å; I85-V121 HydrophobicContact CG2-CG2 4.15Å; I85-I142 HydrophobicContact CG2-CG2 3.75Å; I85-D143 HydrophobicContact CD1-CB 4.19Å; I85-M292 HydrophobicContact CD1-CE 4.39Å; I85-M292 HydrophobicContact CD1-SD 4.47Å; I85-G293 WeakPolarHBondContact O-CA 3.35Å |
| 86 | R | 96.1 | Very high | 92 | Very high | 26 Ų | 26 | 54.9 Ų | 54.9 | 10% | 0.098 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -54.8 | -48.7 | 176.8 | 169.2 | 172.8 | -65.8 | 147.3 | 12 | 111.2 | Y69 E76 Y82 L83 G88 I89 E90 Y104 | Y69-R86 HydrophobicContact CE1-CB 4.02Å; Y69-R86 HydrophobicContact CE1-CG 4.46Å; Y69-R86 VanDerWaalsContact CG-NH2 3.31Å; Y69-R86 WeakPolarHBondContact OH-CG 3.3Å; Y69-R86 PolarHBondContact OH-NE 3.47Å; E76-R86 IonicContact OE1-CZ 2.93Å; E76-R86 IonicContact OE1-NE 3.87Å; E76-R86 IonicContact OE1-NH1 2.92Å; E76-R86 PolarHBondContact OE1-NH1 3.07Å; E76-R86 IonicContact OE1-NH2 2.65Å; E76-R86 PolarHBondContact OE1-NH2 3.42Å; E76-R86 IonicContact OE2-CZ 3.54Å; E76-R86 IonicContact OE2-NH1 2.67Å; E76-R86 PolarHBondContact OE2-NH1 2.85Å; E76-R86 IonicContact OE2-NH2 3.87Å; Y82-R86 PolarHBondContact O-N 3.02Å; L83-R86 PolarHBondContact O-N 2.86Å; R86-G88 PolarHBondContact O-N 3.45Å; R86-I89 WeakPolarHBondContact O-CA 3.42Å; R86-I89 WeakPolarHBondContact O-CB 3.27Å; R86-I89 PolarHBondContact O-N 2.86Å; R86-E90 WeakPolarHBondContact CD-OE1 3.32Å; R86-E90 HydrophobicContact CG-CG 4.13Å; R86-E90 WeakPolarHBondContact CG-OE1 3.29Å; R86-E90 WeakPolarHBondContact O-CG 3.42Å; R86-E90 PolarHBondContact O-N 2.86Å; R86-Y104 VanDerWaalsContact CZ-OH 3.31Å; R86-Y104 PolarHBondContact NH1-OH 3Å; R86-Y104 PolarHBondContact NH2-OH 3.34Å |
| 87 | H | 95.7 | Very high | 92.6 | Very high | 92 Ų | 92 | 56.6 Ų | 56.6 | 43% | 0.426 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.3 | -39 | 179.5 | -176.9 | 54.8 | 0 | 0 | 0 | 112.1 | L83 A84 I85 E90 T91 | L83-H87 WeakPolarHBondContact O-CB 3.48Å; L83-H87 PolarHBondContact O-N 3.18Å; A84-H87 PolarHBondContact O-N 3.37Å; I85-H87 VanDerWaalsContact C-N 3.31Å; I85-H87 PolarHBondContact O-N 3.17Å; H87-E90 PolarHBondContact O-N 2.89Å; H87-T91 PolarHBondContact CE1-OG1 3.34Å; H87-T91 VanDerWaalsContact CE1-OG1 3.25Å; H87-T91 VanDerWaalsContact O-CB 3.3Å; H87-T91 WeakPolarHBondContact O-CB 3.24Å; H87-T91 PolarHBondContact O-N 2.97Å; H87-T91 PolarHBondContact O-OG1 3.38Å |
| 88 | G | 98 | Very high | 93.2 | Very high | 6 Ų | 6 | 50.5 Ų | 50.5 | 6% | 0.062 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A84 I85 R86 Q92 E290 S294 | A84-G88 PolarHBondContact O-N 3.26Å; I85-G88 PolarHBondContact O-N 2.84Å; I85-G88 VanDerWaalsContact O-N 3.11Å; R86-G88 PolarHBondContact O-N 3.45Å; G88-Q92 VanDerWaalsContact O-CB 3.23Å; G88-Q92 WeakPolarHBondContact O-CB 3.23Å; G88-Q92 PolarHBondContact O-N 2.81Å; G88-E290 WeakPolarHBondContact CA-O 3.47Å; G88-S294 PolarHBondContact O-N 3.02Å |
| 89 | I | 98.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.3 | -53.8 | 174 | -64.5 | 171.6 | 0 | 0 | 0 | 109.9 | A67 Y69 I85 R86 T91 Q92 C93 L100 L119 V121 I142 V297 | A67-I89 HydrophobicContact CB-CD1 4.48Å; A67-I89 HydrophobicContact CB-CG2 4.27Å; Y69-I89 HydrophobicContact CE1-CD1 4.41Å; I85-I89 HydrophobicContact CG2-CD1 4.28Å; I85-I89 WeakPolarHBondContact O-CG1 3.26Å; I85-I89 PolarHBondContact O-N 3.06Å; R86-I89 WeakPolarHBondContact O-CA 3.42Å; R86-I89 WeakPolarHBondContact O-CB 3.27Å; R86-I89 PolarHBondContact O-N 2.86Å; I89-T91 PolarHBondContact O-N 3.45Å; I89-Q92 PolarHBondContact O-N 3.41Å; I89-C93 WeakPolarHBondContact O-CB 3.25Å; I89-C93 PolarHBondContact O-N 2.97Å; I89-C93 PolarHBondContact O-SG 3.48Å; I89-L100 HydrophobicContact CG2-CD1 3.93Å; I89-L100 HydrophobicContact CG2-CD2 3.87Å; I89-L119 HydrophobicContact CB-CD1 4.47Å; I89-L119 HydrophobicContact CD1-CD1 4.08Å; I89-L119 HydrophobicContact CG1-CD1 4.03Å; I89-L119 HydrophobicContact CG2-CD1 3.67Å; I89-V121 HydrophobicContact CD1-CG2 3.78Å; I89-I142 HydrophobicContact CD1-CD1 3.88Å; I89-I142 HydrophobicContact CG1-CD1 4.21Å; I89-V297 HydrophobicContact CB-CG2 4.26Å; I89-V297 HydrophobicContact CG1-CG2 4.5Å; I89-V297 HydrophobicContact CG2-CG2 3.87Å |
| 90 | E | 98.2 | Very high | 95.3 | Very high | 69 Ų | 69 | 51.3 Ų | 51.3 | 32% | 0.322 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.1 | -51.2 | -175.9 | -71.1 | 172.6 | 165.3 | 0 | 0 | 111.9 | R86 H87 Q92 C93 E94 L100 N102 | R86-E90 WeakPolarHBondContact CD-OE1 3.32Å; R86-E90 HydrophobicContact CG-CG 4.13Å; R86-E90 WeakPolarHBondContact CG-OE1 3.29Å; R86-E90 WeakPolarHBondContact O-CG 3.42Å; R86-E90 PolarHBondContact O-N 2.86Å; H87-E90 PolarHBondContact O-N 2.89Å; E90-Q92 VanDerWaalsContact C-N 3.28Å; E90-Q92 PolarHBondContact O-N 3.22Å; E90-C93 PolarHBondContact O-N 2.83Å; E90-E94 WeakPolarHBondContact O-CB 3.31Å; E90-E94 PolarHBondContact O-N 3.48Å; E90-L100 HydrophobicContact CB-CD2 4.27Å; E90-L100 HydrophobicContact CG-CD2 3.65Å; E90-N102 PolarHBondContact OE1-ND2 3.35Å |
| 91 | T | 97.8 | Very high | 95.7 | Very high | 62 Ų | 62 | 51 Ų | 51 | 38% | 0.38 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.1 | -37.4 | -179.4 | -55 | 0 | 0 | 0 | 0 | 111.6 | H87 I89 K95 | H87-T91 PolarHBondContact CE1-OG1 3.34Å; H87-T91 VanDerWaalsContact CE1-OG1 3.25Å; H87-T91 VanDerWaalsContact O-CB 3.3Å; H87-T91 WeakPolarHBondContact O-CB 3.24Å; H87-T91 PolarHBondContact O-N 2.97Å; H87-T91 PolarHBondContact O-OG1 3.38Å; I89-T91 PolarHBondContact O-N 3.45Å; T91-K95 VanDerWaalsContact O-CB 3.26Å; T91-K95 WeakPolarHBondContact O-CB 3.2Å; T91-K95 PolarHBondContact O-N 3.13Å |
| 92 | Q | 98.2 | Very high | 95.9 | Very high | 25 Ų | 25 | 53.2 Ų | 53.2 | 12% | 0.117 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -75.3 | -38.5 | -179.9 | -169.8 | 66.3 | 2.4 | 0 | 0 | 112.2 | G88 I89 E90 K95 L96 V297 N298 | G88-Q92 VanDerWaalsContact O-CB 3.23Å; G88-Q92 WeakPolarHBondContact O-CB 3.23Å; G88-Q92 PolarHBondContact O-N 2.81Å; I89-Q92 PolarHBondContact O-N 3.41Å; E90-Q92 VanDerWaalsContact C-N 3.28Å; E90-Q92 PolarHBondContact O-N 3.22Å; Q92-K95 PolarHBondContact O-N 2.89Å; Q92-L96 HydrophobicContact CG-CD1 4.18Å; Q92-L96 WeakPolarHBondContact O-CB 3.17Å; Q92-L96 WeakPolarHBondContact O-CG 3.3Å; Q92-L96 PolarHBondContact O-N 3.17Å; Q92-L96 VanDerWaalsContact O-N 3.08Å; Q92-V297 HydrophobicContact CB-CB 4.17Å; Q92-V297 HydrophobicContact CB-CG1 4.23Å; Q92-V297 HydrophobicContact CB-CG2 4.26Å; Q92-V297 HydrophobicContact CG-CB 3.88Å; Q92-V297 HydrophobicContact CG-CG1 3.79Å; Q92-N298 PolarHBondContact NE2-OD1 3.14Å |
| 93 | C | 97.4 | Very high | 95.9 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.014 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 171.3 | -74.6 | 0 | 0 | 0 | 0 | 111.2 | I89 E90 K95 L96 G97 I98 L100 | I89-C93 WeakPolarHBondContact O-CB 3.25Å; I89-C93 PolarHBondContact O-N 2.97Å; I89-C93 PolarHBondContact O-SG 3.48Å; E90-C93 PolarHBondContact O-N 2.83Å; C93-K95 PolarHBondContact O-N 3.16Å; C93-L96 CarbonylContact O-C 3.59Å; C93-L96 PolarHBondContact O-N 3.05Å; C93-G97 PolarHBondContact O-N 3.06Å; C93-I98 HydrophobicContact CB-CB 4.22Å; C93-I98 PolarHBondContact O-N 3.46Å; C93-L100 HydrophobicContact CB-CB 4.1Å; C93-L100 HydrophobicContact CB-CD2 4.3Å |
| 94 | E | 95.8 | Very high | 95.9 | Very high | 159 Ų | 159 | 49.1 Ų | 49.1 | 74% | 0.743 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -58.3 | -48.5 | 176.5 | -176.7 | -179.3 | -172.7 | 0 | 0 | 111.4 | E90 L96 G97 | E90-E94 WeakPolarHBondContact O-CB 3.31Å; E90-E94 PolarHBondContact O-N 3.48Å; E94-L96 VanDerWaalsContact C-N 3.25Å; E94-L96 PolarHBondContact O-N 3.45Å; E94-G97 PolarHBondContact O-N 3.48Å; E94-G97 VanDerWaalsContact O-N 3.11Å |
| 95 | K | 95.1 | Very high | 95.6 | Very high | 157 Ų | 157 | 49.8 Ų | 49.8 | 68% | 0.683 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -59 | -35.1 | 179 | -179.1 | 179.5 | 175.9 | -178 | 0 | 113.1 | T91 Q92 C93 | T91-K95 VanDerWaalsContact O-CB 3.26Å; T91-K95 WeakPolarHBondContact O-CB 3.2Å; T91-K95 PolarHBondContact O-N 3.13Å; Q92-K95 PolarHBondContact O-N 2.89Å; C93-K95 PolarHBondContact O-N 3.16Å |
| 96 | L | 95.1 | Very high | 95 | Very high | 52 Ų | 52 | 55.1 Ų | 55.1 | 27% | 0.272 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -91.9 | -3.2 | -179.7 | -65.3 | 176.6 | 0 | 0 | 0 | 113.4 | Q92 C93 E94 I98 V297 Y301 | Q92-L96 HydrophobicContact CG-CD1 4.18Å; Q92-L96 WeakPolarHBondContact O-CB 3.17Å; Q92-L96 WeakPolarHBondContact O-CG 3.3Å; Q92-L96 PolarHBondContact O-N 3.17Å; Q92-L96 VanDerWaalsContact O-N 3.08Å; C93-L96 CarbonylContact O-C 3.59Å; C93-L96 PolarHBondContact O-N 3.05Å; E94-L96 VanDerWaalsContact C-N 3.25Å; E94-L96 PolarHBondContact O-N 3.45Å; L96-I98 VanDerWaalsContact C-N 3.31Å; L96-I98 HydrophobicContact CB-CD1 3.69Å; L96-I98 HydrophobicContact CB-CG1 3.84Å; L96-I98 HydrophobicContact CD1-CD1 3.86Å; L96-I98 HydrophobicContact CG-CD1 4.45Å; L96-V297 HydrophobicContact CD1-CG1 4.1Å; L96-Y301 HydrophobicContact CD1-CD1 4.02Å; L96-Y301 HydrophobicContact CD1-CG 4.4Å |
| 97 | G | 94.3 | Very high | 94.4 | Very high | 61 Ų | 61 | 58.5 Ų | 58.5 | 63% | 0.629 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 30.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | C93 E94 | C93-G97 PolarHBondContact O-N 3.06Å; E94-G97 PolarHBondContact O-N 3.48Å; E94-G97 VanDerWaalsContact O-N 3.11Å |
| 98 | I | 95.3 | Very high | 93.6 | Very high | 12 Ų | 12 | 56.1 Ų | 56.1 | 6% | 0.062 | 31% | 0.312 | C | S | . | . | trans | -91.9 | 129.9 | 178.9 | -59.8 | 169.8 | 0 | 0 | 0 | 108.7 | H63 I65 C93 L96 V297 Y301 | H63-I98 HydrophobicContact CB-CB 4.48Å; H63-I98 HydrophobicContact CB-CG1 4.07Å; H63-I98 HydrophobicContact CB-CG2 4.1Å; H63-I98 WeakPolarHBondContact O-CG2 3.35Å; I65-I98 HydrophobicContact CB-CG2 4.08Å; I65-I98 HydrophobicContact CD1-CD1 4.04Å; I65-I98 HydrophobicContact CD1-CG2 3.74Å; I65-I98 HydrophobicContact CG1-CG2 3.69Å; C93-I98 HydrophobicContact CB-CB 4.22Å; C93-I98 PolarHBondContact O-N 3.46Å; L96-I98 VanDerWaalsContact C-N 3.31Å; L96-I98 HydrophobicContact CB-CD1 3.69Å; L96-I98 HydrophobicContact CB-CG1 3.84Å; L96-I98 HydrophobicContact CD1-CD1 3.86Å; L96-I98 HydrophobicContact CG-CD1 4.45Å; I98-V297 HydrophobicContact CD1-CG1 4.05Å; I98-Y301 HydrophobicContact CD1-CD2 3.84Å; I98-Y301 HydrophobicContact CD1-CE2 4.47Å; I98-Y301 HydrophobicContact CD1-CG 4.03Å | ||
| 99 | E | 95.5 | Very high | 92.9 | Very high | 107 Ų | 107 | 58.5 Ų | 58.5 | 50% | 0.5 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 134 | 169.2 | -174.9 | 174.8 | 172.6 | 0 | 0 | 109.4 | H63 H64 I65 | H63-E99 PolarHBondContact O-N 3.22Å; H64-E99 CarbonylContact C-O 3.58Å; H64-E99 WeakPolarHBondContact CA-O 3.27Å; H64-E99 HydrophobicContact CB-CB 4.38Å; H64-E99 PolarHBondContact CD2-O 2.91Å; H64-E99 IonicContact CE1-OE1 3.9Å; I65-E99 PolarHBondContact N-O 2.95Å |
| 100 | L | 96.4 | Very high | 92.3 | Very high | 41 Ų | 41 | 60.6 Ų | 60.6 | 22% | 0.215 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 128.5 | -178.9 | 177.4 | 64.4 | 0 | 0 | 0 | 109.7 | I65 A67 I89 E90 C93 | I65-L100 HydrophobicContact CB-CD1 4.43Å; I65-L100 HydrophobicContact CG2-CD1 4.18Å; I65-L100 WeakPolarHBondContact O-CA 3.4Å; A67-L100 HydrophobicContact CB-CD1 3.79Å; I89-L100 HydrophobicContact CG2-CD1 3.93Å; I89-L100 HydrophobicContact CG2-CD2 3.87Å; E90-L100 HydrophobicContact CB-CD2 4.27Å; E90-L100 HydrophobicContact CG-CD2 3.65Å; C93-L100 HydrophobicContact CB-CB 4.1Å; C93-L100 HydrophobicContact CB-CD2 4.3Å |
| 101 | T | 96.2 | Very high | 91.7 | Very high | 39 Ų | 39 | 64.4 Ų | 64.4 | 24% | 0.239 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 127 | 164.9 | -57.3 | 0 | 0 | 0 | 0 | 109.8 | H64 I65 L66 A67 P110 I112 | H64-T101 PolarHBondContact NE2-OG1 3.47Å; I65-T101 PolarHBondContact O-N 2.78Å; L66-T101 HydrophobicContact CD1-CG2 4.28Å; A67-T101 PolarHBondContact N-O 2.77Å; T101-P110 HydrophobicContact CG2-CG 4.42Å; T101-I112 HydrophobicContact CG2-CD1 3.71Å |
| 102 | N | 94.6 | Very high | 91 | Very high | 62 Ų | 62 | 62.6 Ų | 62.6 | 33% | 0.332 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 133.3 | 176.5 | -75.2 | -47.4 | 0 | 0 | 0 | 109.7 | A67 Y69 E90 | A67-N102 WeakPolarHBondContact O-CA 3.4Å; Y69-N102 HydrophobicContact CE2-CB 3.9Å; Y69-N102 WeakPolarHBondContact CE2-OD1 3.46Å; Y69-N102 PolarHBondContact OH-OD1 3Å; E90-N102 PolarHBondContact OE1-ND2 3.35Å |
| 103 | C | 93.2 | Very high | 90.1 | Very high | 14 Ų | 14 | 69.1 Ų | 69.1 | 10% | 0.095 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 156.1 | 168.3 | 72.6 | 0 | 0 | 0 | 0 | 111.9 | A67 I68 Y69 | A67-C103 PolarHBondContact O-N 3.28Å; I68-C103 CarbonylContact C-O 3.58Å; I68-C103 VanDerWaalsContact CA-O 3.31Å; I68-C103 WeakPolarHBondContact CA-O 3.48Å; Y69-C103 VanDerWaalsContact CD2-O 3.24Å; Y69-C103 WeakPolarHBondContact CD2-O 3.23Å; Y69-C103 PolarHBondContact N-O 3.36Å |
| 104 | Y | 92.3 | Very high | 89.4 | Confident | 27 Ų | 27 | 76.1 Ų | 76.1 | 11% | 0.106 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 146.3 | 171 | -67.1 | -91.5 | 0 | 0 | 0 | 109.5 | Y69 Y71 Q73 E76 R86 H106 S107 | Y69-Y104 HydrophobicContact CD2-CE1 4.41Å; Y69-Y104 HydrophobicContact CG-CD1 4.43Å; Y69-Y104 HydrophobicContact CG-CE1 4.33Å; Y71-Y104 HydrophobicContact CE2-CE1 4.14Å; Q73-Y104 HydrophobicContact CB-CD1 4.23Å; Q73-Y104 HydrophobicContact CB-CE1 3.7Å; Q73-Y104 HydrophobicContact CB-CE2 4.21Å; Q73-Y104 HydrophobicContact CG-CE1 4.18Å; Q73-Y104 HydrophobicContact CG-CE2 4.18Å; Q73-Y104 VanDerWaalsContact CG-OH 3.29Å; Q73-Y104 WeakPolarHBondContact CG-OH 3.25Å; E76-Y104 VanDerWaalsContact CD-OH 3.29Å; E76-Y104 PolarHBondContact OE1-OH 2.86Å; E76-Y104 PolarHBondContact OE2-OH 3.35Å; R86-Y104 VanDerWaalsContact CZ-OH 3.31Å; R86-Y104 PolarHBondContact NH1-OH 3Å; R86-Y104 PolarHBondContact NH2-OH 3.34Å; Y104-H106 PolarHBondContact O-N 2.98Å; Y104-S107 WeakPolarHBondContact O-CB 3.46Å; Y104-S107 PolarHBondContact O-N 3.28Å |
| 105 | E | 87 | Confident | 89.3 | Confident | 32 Ų | 32 | 69.4 Ų | 69.4 | 15% | 0.15 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -52.7 | -42.1 | 179.7 | 178.2 | 169 | -159.6 | 0 | 0 | 112.7 | Y69 S70 S107 G108 T125 L128 | Y69-E105 PolarHBondContact O-N 2.8Å; S70-E105 WeakPolarHBondContact CA-OE2 3.48Å; S70-E105 WeakPolarHBondContact CB-OE2 3.17Å; S70-E105 PolarHBondContact OG-OE2 3.33Å; E105-S107 PolarHBondContact O-N 3.12Å; E105-G108 PolarHBondContact O-N 3.21Å; E105-G108 VanDerWaalsContact O-N 3.12Å; E105-T125 WeakPolarHBondContact OE1-CB 3.36Å; E105-T125 WeakPolarHBondContact OE1-CG2 3.43Å; E105-T125 PolarHBondContact OE1-N 3.37Å; E105-T125 PolarHBondContact OE1-OG1 2.89Å; E105-L128 HydrophobicContact CB-CD2 4.04Å; E105-L128 VanDerWaalsContact CD-CD2 3.48Å; E105-L128 HydrophobicContact CG-CB 4.23Å; E105-L128 HydrophobicContact CG-CD2 3.79Å; E105-L128 HydrophobicContact CG-CG 4.43Å; E105-L128 WeakPolarHBondContact OE1-CB 3.5Å |
| 106 | H | 83.5 | Confident | 89.3 | Confident | 113 Ų | 113 | 63.1 Ų | 63.1 | 52% | 0.523 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -67.5 | -15.9 | -178.6 | -52.7 | 91.4 | 0 | 0 | 0 | 114 | Q72 Y104 G108 | Q72-H106 PolarHBondContact NE2-CD2 3.27Å; Q72-H106 PolarHBondContact NE2-CE1 2.94Å; Q72-H106 PolarHBondContact NE2-NE2 3.16Å; Y104-H106 PolarHBondContact O-N 2.98Å; H106-G108 VanDerWaalsContact C-N 3.35Å |
| 107 | S | 84.5 | Confident | 89.4 | Confident | 97 Ų | 97 | 60.7 Ų | 60.7 | 68% | 0.678 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -87.3 | -6.1 | 176.9 | -52.6 | 0 | 0 | 0 | 0 | 113 | Y104 E105 | Y104-S107 WeakPolarHBondContact O-CB 3.46Å; Y104-S107 PolarHBondContact O-N 3.28Å; E105-S107 PolarHBondContact O-N 3.12Å |
| 108 | G | 79.2 | Confident | 89.5 | Confident | 41 Ų | 41 | 57.8 Ų | 57.8 | 42% | 0.423 | 31% | 0.314 | S | S | . | . | trans | 77.2 | 165.8 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E105 H106 | E105-G108 PolarHBondContact O-N 3.21Å; E105-G108 VanDerWaalsContact O-N 3.12Å; H106-G108 VanDerWaalsContact C-N 3.35Å | ||
| 109 | L | 83 | Confident | 89.7 | Confident | 57 Ų | 57 | 57.2 Ų | 57.2 | 30% | 0.298 | 31% | 0.311 | S | S | . | . | trans | -78.3 | 134.9 | 175.6 | -69.6 | 174.2 | 0 | 0 | 0 | 110.5 | L66 I68 L128 A131 L135 | L66-L109 HydrophobicContact CD2-CD2 4.13Å; I68-L109 HydrophobicContact CD1-CD2 3.37Å; I68-L109 HydrophobicContact CG1-CD2 4.07Å; L109-L128 HydrophobicContact CD1-CD1 4.5Å; L109-L128 HydrophobicContact CD2-CD1 3.97Å; L109-L128 HydrophobicContact CG-CD1 4.35Å; L109-A131 HydrophobicContact CD1-CB 3.45Å; L109-A131 VanDerWaalsContact CD1-CB 3.45Å; L109-L135 HydrophobicContact CD1-CD1 4.1Å | ||
| 110 | P | 85.8 | Confident | 89.8 | Confident | 43 Ų | 43 | 52.1 Ų | 52.1 | 28% | 0.279 | 29% | 0.287 | S | S | . | . | trans | -67.1 | 149.7 | 172.8 | 29.9 | -35.5 | 0 | 0 | 0 | 111 | L66 T101 I112 | L66-P110 HydrophobicContact CD1-CG 3.8Å; L66-P110 HydrophobicContact CD2-CG 4.46Å; T101-P110 HydrophobicContact CG2-CG 4.42Å; P110-I112 HydrophobicContact CB-CD1 3.99Å; P110-I112 HydrophobicContact CB-CG1 3.84Å; P110-I112 HydrophobicContact CG-CD1 3.45Å; P110-I112 VanDerWaalsContact CG-CD1 3.45Å; P110-I112 HydrophobicContact CG-CG1 3.77Å; P110-I112 PolarHBondContact O-N 3.24Å | ||
| 111 | D | 84.4 | Confident | 89.8 | Confident | 150 Ų | 150 | 50.2 Ų | 50.2 | 80% | 0.802 | 28% | 0.277 | S | S | * | . | trans | -75.2 | 77.4 | 173.4 | -174.8 | 19.6 | 0 | 0 | 0 | 109.9 | ||||
| 112 | I | 83.9 | Confident | 89.7 | Confident | 24 Ų | 24 | 48.6 Ų | 48.6 | 12% | 0.123 | 27% | 0.268 | C | S | . | . | trans | -106.5 | 128.4 | 178.4 | -56.7 | 177.2 | 0 | 0 | 0 | 108.9 | H64 L66 T101 P110 V115 | H64-I112 WeakPolarHBondContact CE1-CG2 3.4Å; L66-I112 HydrophobicContact CD1-CD1 4.01Å; T101-I112 HydrophobicContact CG2-CD1 3.71Å; P110-I112 HydrophobicContact CB-CD1 3.99Å; P110-I112 HydrophobicContact CB-CG1 3.84Å; P110-I112 HydrophobicContact CG-CD1 3.45Å; P110-I112 VanDerWaalsContact CG-CD1 3.45Å; P110-I112 HydrophobicContact CG-CG1 3.77Å; P110-I112 PolarHBondContact O-N 3.24Å; I112-V115 HydrophobicContact CB-CG1 4.17Å; I112-V115 HydrophobicContact CG2-CG1 3.51Å | ||
| 113 | K | 78.4 | Confident | 89.6 | Confident | 161 Ų | 161 | 50.4 Ų | 50.4 | 70% | 0.7 | 27% | 0.273 | S | S | * | . | trans | -99.4 | 144 | 173.1 | -62 | -178.2 | -177.4 | 177.2 | 0 | 109.3 | ||||
| 114 | N | 84.2 | Confident | 89.6 | Confident | 150 Ų | 150 | 50.4 Ų | 50.4 | 80% | 0.802 | 27% | 0.273 | S | S | * | . | S | Bend | trans | 64.2 | 47.6 | 173 | -51.3 | -30.9 | 0 | 0 | 0 | 115.3 | ||
| 115 | V | 93.3 | Very high | 89.6 | Confident | 17 Ų | 17 | 52.1 Ų | 52.1 | 10% | 0.103 | 29% | 0.286 | C | S | . | . | trans | -69.7 | 133.1 | 168.2 | -66 | 0 | 0 | 0 | 0 | 110.7 | H64 L66 I112 G117 I118 L135 T136 | H64-V115 CarbonylContact O-C 3.59Å; H64-V115 WeakPolarHBondContact O-CA 3.32Å; L66-V115 HydrophobicContact CB-CG1 4.11Å; I112-V115 HydrophobicContact CB-CG1 4.17Å; I112-V115 HydrophobicContact CG2-CG1 3.51Å; V115-G117 VanDerWaalsContact C-N 3.27Å; V115-I118 HydrophobicContact CG2-CG1 4.25Å; V115-L135 HydrophobicContact CG2-CB 4.39Å; V115-T136 HydrophobicContact CG2-CG2 3.98Å | ||
| 116 | T | 95.1 | Very high | 89.9 | Confident | 26 Ų | 26 | 56 Ų | 56 | 16% | 0.16 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -65.3 | -34.9 | 170.5 | -65 | 0 | 0 | 0 | 0 | 111.3 | H63 H64 N138 A304 | H63-T116 VanDerWaalsContact CA-OG1 3.28Å; H63-T116 WeakPolarHBondContact CA-OG1 3.38Å; H63-T116 HydrophobicContact CB-CG2 4.3Å; H63-T116 VanDerWaalsContact ND1-CG2 3.3Å; H63-T116 WeakPolarHBondContact ND1-CG2 3.3Å; H63-T116 PolarHBondContact ND1-OG1 3.36Å; H63-T116 VanDerWaalsContact ND1-OG1 3.15Å; H64-T116 PolarHBondContact N-OG1 2.97Å; H64-T116 WeakPolarHBondContact O-CB 3.48Å; H64-T116 PolarHBondContact O-N 3.44Å; T116-N138 WeakPolarHBondContact O-CB 3.19Å; T116-N138 PolarHBondContact O-ND2 3.23Å; T116-A304 HydrophobicContact CG2-CB 3.52Å |
| 117 | G | 96.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.9 | 174.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I65 L66 V115 N138 | I65-G117 WeakPolarHBondContact CA-O 3.43Å; L66-G117 PolarHBondContact N-O 2.69Å; L66-G117 VanDerWaalsContact N-O 3.13Å; V115-G117 VanDerWaalsContact C-N 3.27Å; G117-N138 CarbonylContact C-O 3.59Å; G117-N138 WeakPolarHBondContact CA-O 3.39Å |
| 118 | I | 97.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 131.6 | -176.6 | -61 | 176.6 | 0 | 0 | 0 | 109.1 | L66 I68 V115 I120 A132 L135 T136 N138 I139 C140 | L66-I118 HydrophobicContact CB-CG1 4.25Å; L66-I118 HydrophobicContact CD2-CD1 4.39Å; L66-I118 HydrophobicContact CD2-CG1 4.42Å; L66-I118 CarbonylContact O-C 3.53Å; L66-I118 VanDerWaalsContact O-CA 3.27Å; L66-I118 WeakPolarHBondContact O-CA 3.41Å; I68-I118 HydrophobicContact CD1-CG2 3.4Å; I68-I118 HydrophobicContact CG1-CG2 3.97Å; V115-I118 HydrophobicContact CG2-CG1 4.25Å; I118-I120 HydrophobicContact CG2-CD1 4.36Å; I118-I120 HydrophobicContact CG2-CG1 3.83Å; I118-A132 HydrophobicContact CD1-CB 3.88Å; I118-A132 HydrophobicContact CG2-CB 4.44Å; I118-L135 HydrophobicContact CD1-CB 3.98Å; I118-L135 HydrophobicContact CD1-CD1 4.03Å; I118-T136 HydrophobicContact CB-CG2 4.42Å; I118-T136 HydrophobicContact CD1-CG2 3.75Å; I118-T136 HydrophobicContact CG1-CG2 3.66Å; I118-N138 PolarHBondContact N-O 3.5Å; I118-I139 HydrophobicContact CB-CG1 4.33Å; I118-I139 CarbonylContact O-C 3.49Å; I118-I139 WeakPolarHBondContact O-CA 3.1Å; I118-C140 PolarHBondContact O-N 3.01Å |
| 119 | L | 98.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 130.5 | 166.4 | -57.2 | 176.5 | 0 | 0 | 0 | 108.2 | I65 L66 A67 I68 I89 C140 I142 G296 V297 V300 | I65-L119 HydrophobicContact CG2-CD1 3.83Å; I65-L119 HydrophobicContact CG2-CG 3.75Å; L66-L119 PolarHBondContact O-N 3.07Å; A67-L119 CarbonylContact C-O 3.5Å; A67-L119 WeakPolarHBondContact CA-O 3.48Å; A67-L119 HydrophobicContact CB-CB 4.33Å; I68-L119 PolarHBondContact N-O 2.92Å; I89-L119 HydrophobicContact CB-CD1 4.47Å; I89-L119 HydrophobicContact CD1-CD1 4.08Å; I89-L119 HydrophobicContact CG1-CD1 4.03Å; I89-L119 HydrophobicContact CG2-CD1 3.67Å; L119-C140 WeakPolarHBondContact CA-O 3.12Å; L119-C140 HydrophobicContact CD2-CB 3.83Å; L119-I142 HydrophobicContact CB-CD1 4.23Å; L119-I142 HydrophobicContact CD1-CD1 4.35Å; L119-I142 HydrophobicContact CD2-CD1 4.26Å; L119-G296 VanDerWaalsContact CD2-C 3.44Å; L119-G296 WeakPolarHBondContact CD2-O 3.33Å; L119-V297 HydrophobicContact CD1-CG2 3.64Å; L119-V300 HydrophobicContact CD2-CB 4.33Å; L119-V300 HydrophobicContact CD2-CG2 3.5Å |
| 120 | I | 97.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 114.8 | 173.5 | -61.3 | 177.7 | 0 | 0 | 0 | 107.5 | I68 I118 P124 L128 A132 I139 C140 F141 I142 | I68-I120 HydrophobicContact CB-CG1 4.37Å; I68-I120 HydrophobicContact CD1-CG1 4.22Å; I68-I120 CarbonylContact O-C 3.26Å; I68-I120 WeakPolarHBondContact O-CA 3.28Å; I118-I120 HydrophobicContact CG2-CD1 4.36Å; I118-I120 HydrophobicContact CG2-CG1 3.83Å; I120-P124 HydrophobicContact CG2-CB 4.06Å; I120-P124 HydrophobicContact CG2-CG 4.4Å; I120-L128 HydrophobicContact CG2-CD2 4.37Å; I120-A132 HydrophobicContact CD1-CB 3.93Å; I120-I139 HydrophobicContact CD1-CG2 3.95Å; I120-I139 HydrophobicContact CG1-CG2 4.32Å; I120-C140 PolarHBondContact N-O 2.94Å; I120-F141 HydrophobicContact CB-CD1 3.85Å; I120-F141 HydrophobicContact CB-CE1 4.18Å; I120-F141 HydrophobicContact CD1-CD1 4.41Å; I120-F141 HydrophobicContact CD1-CE1 3.87Å; I120-F141 HydrophobicContact CG2-CD1 4.12Å; I120-F141 HydrophobicContact CG2-CE1 4.35Å; I120-F141 CarbonylContact O-C 3.54Å; I120-F141 WeakPolarHBondContact O-CA 3.4Å; I120-I142 PolarHBondContact O-N 2.75Å |
| 121 | V | 97.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 122.9 | 178.2 | -169.5 | 0 | 0 | 0 | 0 | 109.4 | I68 Y69 S70 Y71 Y82 I85 I89 I142 | I68-V121 PolarHBondContact O-N 2.82Å; Y69-V121 HydrophobicContact CD1-CB 3.95Å; Y69-V121 HydrophobicContact CD1-CG2 3.82Å; Y69-V121 HydrophobicContact CE1-CB 4.46Å; Y69-V121 HydrophobicContact CE1-CG2 3.84Å; S70-V121 WeakPolarHBondContact CB-O 3.35Å; S70-V121 PolarHBondContact N-O 2.83Å; Y71-V121 HydrophobicContact CE1-CB 4.02Å; Y71-V121 HydrophobicContact CE1-CG1 3.75Å; Y82-V121 HydrophobicContact CD1-CG1 4.33Å; I85-V121 HydrophobicContact CD1-CG1 4.15Å; I85-V121 HydrophobicContact CG2-CG1 3.88Å; I85-V121 HydrophobicContact CG2-CG2 4.15Å; I89-V121 HydrophobicContact CD1-CG2 3.78Å; V121-I142 CarbonylContact C-O 3.07Å; V121-I142 WeakPolarHBondContact CA-O 3.49Å; V121-I142 HydrophobicContact CG1-CB 4.49Å; V121-I142 HydrophobicContact CG1-CG2 4.48Å; V121-I142 HydrophobicContact CG2-CB 4.26Å; V121-I142 HydrophobicContact CG2-CD1 4.28Å |
| 122 | G | 94.1 | Very high | 92.6 | Very high | 5 Ų | 5 | 44.7 Ų | 44.7 | 5% | 0.052 | 26% | 0.256 | C | S | . | . | S | Bend | trans | 85.4 | -177.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113 | P124 I142 | G122-P124 WeakPolarHBondContact O-CD 3.33Å; G122-I142 PolarHBondContact N-O 3.17Å |
| 123 | K | 92.9 | Very high | 93 | Very high | 101 Ų | 101 | 44.9 Ų | 44.9 | 44% | 0.439 | 26% | 0.259 | S | S | . | . | trans | -82.1 | 112.5 | -176.5 | 178.1 | -176.9 | 171.6 | -168.1 | 0 | 111.4 | S70 F144 E185 | S70-K123 PolarHBondContact OG-O 3.5Å; K123-F144 HydrophobicContact CB-CD2 3.75Å; K123-F144 HydrophobicContact CB-CE2 3.99Å; K123-F144 HydrophobicContact CB-CG 4.06Å; K123-F144 HydrophobicContact CB-CZ 4.48Å; K123-F144 HydrophobicContact CD-CD2 4.48Å; K123-F144 HydrophobicContact CD-CE2 3.99Å; K123-F144 HydrophobicContact CD-CZ 4.48Å; K123-F144 HydrophobicContact CG-CD2 3.96Å; K123-F144 HydrophobicContact CG-CE1 4.36Å; K123-F144 HydrophobicContact CG-CE2 3.65Å; K123-F144 HydrophobicContact CG-CG 4.46Å; K123-F144 HydrophobicContact CG-CZ 3.87Å; K123-E185 IonicContact NZ-OE1 3.41Å; K123-E185 PolarHBondContact NZ-OE1 2.73Å | ||
| 124 | P | 93.1 | Very high | 93.6 | Very high | 13 Ų | 13 | 41.4 Ų | 41.4 | 8% | 0.084 | 26% | 0.261 | C | S | . | . | trans | -66.5 | 149.9 | 180 | 30.5 | -37.8 | 0 | 0 | 0 | 112.6 | S70 I120 G122 L128 R129 F141 | S70-P124 WeakPolarHBondContact OG-CA 3.26Å; I120-P124 HydrophobicContact CG2-CB 4.06Å; I120-P124 HydrophobicContact CG2-CG 4.4Å; G122-P124 WeakPolarHBondContact O-CD 3.33Å; P124-L128 HydrophobicContact CB-CB 4.32Å; P124-L128 HydrophobicContact CB-CD2 3.95Å; P124-L128 HydrophobicContact CB-CG 4.19Å; P124-R129 HydrophobicContact CB-CB 4.38Å; P124-R129 HydrophobicContact CG-CB 4.36Å; P124-F141 HydrophobicContact CG-CD1 4.37Å; P124-F141 HydrophobicContact CG-CE1 3.71Å; P124-F141 HydrophobicContact CG-CZ 4.36Å | ||
| 125 | T | 92.4 | Very high | 94 | Very high | 63 Ų | 63 | 37.9 Ų | 37.9 | 39% | 0.387 | 24% | 0.241 | S | C | . | . | trans | -65.7 | 155.6 | 160.2 | 67 | 0 | 0 | 0 | 0 | 110.7 | E105 A127 L128 R129 | E105-T125 WeakPolarHBondContact OE1-CB 3.36Å; E105-T125 WeakPolarHBondContact OE1-CG2 3.43Å; E105-T125 PolarHBondContact OE1-N 3.37Å; E105-T125 PolarHBondContact OE1-OG1 2.89Å; T125-A127 PolarHBondContact O-N 3.1Å; T125-A127 VanDerWaalsContact O-N 3.17Å; T125-L128 PolarHBondContact O-N 3.45Å; T125-L128 VanDerWaalsContact O-N 3.16Å; T125-L128 PolarHBondContact OG1-N 3.13Å; T125-L128 VanDerWaalsContact OG1-N 3.17Å; T125-R129 PolarHBondContact O-N 3.08Å | ||
| 126 | P | 92.5 | Very high | 93.9 | Very high | 113 Ų | 113 | 38.4 Ų | 38.4 | 73% | 0.734 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -54.7 | -34 | 173.7 | -27.6 | 35.6 | 0 | 0 | 0 | 113.5 | A130 | P126-A130 WeakPolarHBondContact O-CB 3.43Å; P126-A130 PolarHBondContact O-N 3.41Å |
| 127 | A | 92.7 | Very high | 93.8 | Very high | 73 Ų | 73 | 42.9 Ų | 42.9 | 60% | 0.603 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -68.1 | -46.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T125 A130 A131 | T125-A127 PolarHBondContact O-N 3.1Å; T125-A127 VanDerWaalsContact O-N 3.17Å; A127-A130 PolarHBondContact O-N 2.98Å; A127-A131 WeakPolarHBondContact O-CB 3.22Å; A127-A131 PolarHBondContact O-N 3.28Å |
| 128 | L | 92.9 | Very high | 93.8 | Very high | 12 Ų | 12 | 43.5 Ų | 43.5 | 6% | 0.063 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 175.7 | 173.9 | 61.1 | 0 | 0 | 0 | 111.4 | I68 E105 L109 I120 P124 T125 A130 A131 A132 | I68-L128 HydrophobicContact CD1-CD1 4.03Å; I68-L128 HydrophobicContact CG2-CD1 3.97Å; I68-L128 HydrophobicContact CG2-CD2 3.83Å; E105-L128 HydrophobicContact CB-CD2 4.04Å; E105-L128 VanDerWaalsContact CD-CD2 3.48Å; E105-L128 HydrophobicContact CG-CB 4.23Å; E105-L128 HydrophobicContact CG-CD2 3.79Å; E105-L128 HydrophobicContact CG-CG 4.43Å; E105-L128 WeakPolarHBondContact OE1-CB 3.5Å; L109-L128 HydrophobicContact CD1-CD1 4.5Å; L109-L128 HydrophobicContact CD2-CD1 3.97Å; L109-L128 HydrophobicContact CG-CD1 4.35Å; I120-L128 HydrophobicContact CG2-CD2 4.37Å; P124-L128 HydrophobicContact CB-CB 4.32Å; P124-L128 HydrophobicContact CB-CD2 3.95Å; P124-L128 HydrophobicContact CB-CG 4.19Å; T125-L128 PolarHBondContact O-N 3.45Å; T125-L128 VanDerWaalsContact O-N 3.16Å; T125-L128 PolarHBondContact OG1-N 3.13Å; T125-L128 VanDerWaalsContact OG1-N 3.17Å; L128-A130 VanDerWaalsContact C-N 3.31Å; L128-A130 PolarHBondContact O-N 3.4Å; L128-A131 PolarHBondContact O-N 3.32Å; L128-A132 WeakPolarHBondContact O-CB 3.36Å; L128-A132 PolarHBondContact O-N 3Å |
| 129 | R | 93 | Very high | 93.8 | Very high | 82 Ų | 82 | 43.6 Ų | 43.6 | 31% | 0.309 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -55.4 | -47.1 | 177.1 | -177.1 | -170.6 | 179.6 | -71.5 | 2.2 | 111.2 | P124 T125 S133 E146 | P124-R129 HydrophobicContact CB-CB 4.38Å; P124-R129 HydrophobicContact CG-CB 4.36Å; T125-R129 PolarHBondContact O-N 3.08Å; R129-S133 WeakPolarHBondContact O-CB 3.14Å; R129-S133 PolarHBondContact O-N 3.14Å; R129-S133 PolarHBondContact O-OG 3.44Å; R129-E146 IonicContact CZ-OE1 3.94Å; R129-E146 IonicContact CZ-OE2 2.78Å; R129-E146 IonicContact NE-OE1 3Å; R129-E146 PolarHBondContact NE-OE1 2.89Å; R129-E146 IonicContact NE-OE2 3.07Å; R129-E146 PolarHBondContact NE-OE2 3.16Å; R129-E146 IonicContact NH2-OE2 3.17Å; R129-E146 PolarHBondContact NH2-OE2 2.97Å |
| 130 | A | 92.9 | Very high | 93.8 | Very high | 58 Ų | 58 | 43.6 Ų | 43.6 | 48% | 0.479 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | P126 A127 L128 S133 A134 | P126-A130 WeakPolarHBondContact O-CB 3.43Å; P126-A130 PolarHBondContact O-N 3.41Å; A127-A130 PolarHBondContact O-N 2.98Å; L128-A130 VanDerWaalsContact C-N 3.31Å; L128-A130 PolarHBondContact O-N 3.4Å; A130-S133 PolarHBondContact O-N 3.21Å; A130-A134 PolarHBondContact O-N 2.94Å; A130-A134 VanDerWaalsContact O-N 3.08Å |
| 131 | A | 92.4 | Very high | 93.8 | Very high | 40 Ų | 40 | 43.6 Ų | 43.6 | 33% | 0.331 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.8 | -40.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L109 A127 L128 A134 | L109-A131 HydrophobicContact CD1-CB 3.45Å; L109-A131 VanDerWaalsContact CD1-CB 3.45Å; A127-A131 WeakPolarHBondContact O-CB 3.22Å; A127-A131 PolarHBondContact O-N 3.28Å; L128-A131 PolarHBondContact O-N 3.32Å; A131-A134 PolarHBondContact O-N 3Å |
| 132 | A | 93 | Very high | 93.8 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I118 I120 L128 A134 L135 T136 I139 | I118-A132 HydrophobicContact CD1-CB 3.88Å; I118-A132 HydrophobicContact CG2-CB 4.44Å; I120-A132 HydrophobicContact CD1-CB 3.93Å; L128-A132 WeakPolarHBondContact O-CB 3.36Å; L128-A132 PolarHBondContact O-N 3Å; A132-A134 PolarHBondContact O-N 3Å; A132-L135 WeakPolarHBondContact O-CB 3.21Å; A132-L135 PolarHBondContact O-N 3.45Å; A132-T136 PolarHBondContact O-N 3.24Å; A132-I139 HydrophobicContact CB-CD1 3.86Å |
| 133 | S | 92.9 | Very high | 93.9 | Very high | 28 Ų | 28 | 44.7 Ų | 44.7 | 20% | 0.196 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.6 | -25.9 | 178.4 | -51.4 | 0 | 0 | 0 | 0 | 112.6 | R129 A130 L135 Y151 | R129-S133 WeakPolarHBondContact O-CB 3.14Å; R129-S133 PolarHBondContact O-N 3.14Å; R129-S133 PolarHBondContact O-OG 3.44Å; A130-S133 PolarHBondContact O-N 3.21Å; S133-L135 VanDerWaalsContact C-N 3.3Å; S133-Y151 VanDerWaalsContact CB-OH 3.27Å; S133-Y151 WeakPolarHBondContact CB-OH 3.47Å; S133-Y151 PolarHBondContact OG-OH 3.03Å |
| 134 | A | 91.9 | Very high | 94 | Very high | 88 Ų | 88 | 41.9 Ų | 41.9 | 73% | 0.727 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -74.4 | -19.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A130 A131 A132 | A130-A134 PolarHBondContact O-N 2.94Å; A130-A134 VanDerWaalsContact O-N 3.08Å; A131-A134 PolarHBondContact O-N 3Å; A132-A134 PolarHBondContact O-N 3Å |
| 135 | L | 91.3 | Very high | 94 | Very high | 76 Ų | 76 | 44.2 Ų | 44.2 | 40% | 0.398 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -88.7 | -39.1 | 177.8 | -66.3 | 173.1 | 0 | 0 | 0 | 112.2 | L66 L109 V115 I118 A132 S133 | L66-L135 HydrophobicContact CD2-CD1 4.41Å; L109-L135 HydrophobicContact CD1-CD1 4.1Å; V115-L135 HydrophobicContact CG2-CB 4.39Å; I118-L135 HydrophobicContact CD1-CB 3.98Å; I118-L135 HydrophobicContact CD1-CD1 4.03Å; A132-L135 WeakPolarHBondContact O-CB 3.21Å; A132-L135 PolarHBondContact O-N 3.45Å; S133-L135 VanDerWaalsContact C-N 3.3Å |
| 136 | T | 92.4 | Very high | 93.9 | Very high | 27 Ų | 27 | 43.9 Ų | 43.9 | 17% | 0.166 | 27% | 0.267 | C | S | . | . | trans | -165.4 | 151.4 | -179 | -175.4 | 0 | 0 | 0 | 0 | 112.3 | V115 I118 A132 N138 I139 | V115-T136 HydrophobicContact CG2-CG2 3.98Å; I118-T136 HydrophobicContact CB-CG2 4.42Å; I118-T136 HydrophobicContact CD1-CG2 3.75Å; I118-T136 HydrophobicContact CG1-CG2 3.66Å; A132-T136 PolarHBondContact O-N 3.24Å; T136-N138 VanDerWaalsContact C-N 3.31Å; T136-N138 PolarHBondContact OG1-N 2.9Å; T136-N138 VanDerWaalsContact OG1-N 3.16Å; T136-I139 HydrophobicContact CG2-CG1 4.48Å | ||
| 137 | D | 92.4 | Very high | 93.7 | Very high | 120 Ų | 120 | 43.8 Ų | 43.8 | 64% | 0.642 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -84.9 | -4.4 | 171.1 | -64.3 | -34.6 | 0 | 0 | 0 | 112.8 | I139 K303 | D137-I139 PolarHBondContact O-N 2.7Å; D137-K303 PolarHBondContact O-NZ 3.02Å |
| 138 | N | 96.2 | Very high | 93.5 | Very high | 14 Ų | 14 | 44.5 Ų | 44.5 | 8% | 0.075 | 28% | 0.281 | C | S | . | . | trans | -92.6 | 72.3 | 178.8 | -168.2 | 13.8 | 0 | 0 | 0 | 111.2 | T116 G117 I118 T136 V300 K303 | T116-N138 WeakPolarHBondContact O-CB 3.19Å; T116-N138 PolarHBondContact O-ND2 3.23Å; G117-N138 CarbonylContact C-O 3.59Å; G117-N138 WeakPolarHBondContact CA-O 3.39Å; I118-N138 PolarHBondContact N-O 3.5Å; T136-N138 VanDerWaalsContact C-N 3.31Å; T136-N138 PolarHBondContact OG1-N 2.9Å; T136-N138 VanDerWaalsContact OG1-N 3.16Å; N138-V300 PolarHBondContact ND2-O 2.84Å; N138-K303 WeakPolarHBondContact OD1-CD 3.49Å | ||
| 139 | I | 96.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 137.1 | 179.7 | -55.2 | 179 | 0 | 0 | 0 | 109.4 | I118 I120 A132 T136 D137 F141 Y151 D152 | I118-I139 HydrophobicContact CB-CG1 4.33Å; I118-I139 CarbonylContact O-C 3.49Å; I118-I139 WeakPolarHBondContact O-CA 3.1Å; I120-I139 HydrophobicContact CD1-CG2 3.95Å; I120-I139 HydrophobicContact CG1-CG2 4.32Å; A132-I139 HydrophobicContact CB-CD1 3.86Å; T136-I139 HydrophobicContact CG2-CG1 4.48Å; D137-I139 PolarHBondContact O-N 2.7Å; I139-F141 HydrophobicContact CG2-CE1 4.27Å; I139-F141 HydrophobicContact CG2-CZ 4.44Å; I139-Y151 HydrophobicContact CB-CD1 3.71Å; I139-Y151 HydrophobicContact CB-CE1 4.09Å; I139-Y151 HydrophobicContact CB-CG 3.96Å; I139-Y151 HydrophobicContact CD1-CD1 4.43Å; I139-Y151 HydrophobicContact CD1-CE1 3.96Å; I139-Y151 HydrophobicContact CD1-CE2 4.27Å; I139-Y151 HydrophobicContact CG1-CD1 4.27Å; I139-Y151 HydrophobicContact CG1-CE1 4.14Å; I139-Y151 HydrophobicContact CG2-CG 4.43Å; I139-Y151 WeakPolarHBondContact O-CB 3.46Å; I139-D152 PolarHBondContact O-N 3.31Å; I139-D152 VanDerWaalsContact O-N 3.08Å |
| 140 | C | 98.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 125.6 | 167.2 | -175.4 | 0 | 0 | 0 | 0 | 110.4 | I118 L119 I120 D152 V300 | I118-C140 PolarHBondContact O-N 3.01Å; L119-C140 WeakPolarHBondContact CA-O 3.12Å; L119-C140 HydrophobicContact CD2-CB 3.83Å; I120-C140 PolarHBondContact N-O 2.94Å; C140-D152 CarbonylContact C-O 3.58Å; C140-D152 VanDerWaalsContact CA-O 3.25Å; C140-D152 WeakPolarHBondContact CA-O 3.46Å; C140-D152 HydrophobicContact CB-CB 3.91Å; C140-V300 HydrophobicContact CB-CG2 3.57Å |
| 141 | F | 98.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 42 Ų | 42 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 146.6 | 167.7 | -60.3 | -61.8 | 0 | 0 | 0 | 110.5 | I120 P124 I139 F144 E146 Y151 D152 A153 V154 | I120-F141 HydrophobicContact CB-CD1 3.85Å; I120-F141 HydrophobicContact CB-CE1 4.18Å; I120-F141 HydrophobicContact CD1-CD1 4.41Å; I120-F141 HydrophobicContact CD1-CE1 3.87Å; I120-F141 HydrophobicContact CG2-CD1 4.12Å; I120-F141 HydrophobicContact CG2-CE1 4.35Å; I120-F141 CarbonylContact O-C 3.54Å; I120-F141 WeakPolarHBondContact O-CA 3.4Å; P124-F141 HydrophobicContact CG-CD1 4.37Å; P124-F141 HydrophobicContact CG-CE1 3.71Å; P124-F141 HydrophobicContact CG-CZ 4.36Å; I139-F141 HydrophobicContact CG2-CE1 4.27Å; I139-F141 HydrophobicContact CG2-CZ 4.44Å; F141-F144 HydrophobicContact CB-CD1 4.3Å; F141-F144 WeakPolarHBondContact CB-O 3.46Å; F141-F144 HydrophobicContact CD1-CD1 4.17Å; F141-F144 HydrophobicContact CD2-CD1 4.47Å; F141-F144 HydrophobicContact CG-CD1 4.07Å; F141-E146 HydrophobicContact CE2-CB 4.45Å; F141-Y151 AromaticContact CE2-CD2 3.65Å; F141-Y151 HydrophobicContact CE2-CD2 3.65Å; F141-Y151 HydrophobicContact CE2-CG 4.18Å; F141-Y151 AromaticContact CZ-CD2 3.81Å; F141-Y151 HydrophobicContact CZ-CD2 3.81Å; F141-D152 PolarHBondContact N-O 2.85Å; F141-A153 HydrophobicContact CB-CB 4.24Å; F141-A153 CarbonylContact O-C 3.52Å; F141-A153 VanDerWaalsContact O-CA 3.27Å; F141-A153 WeakPolarHBondContact O-CA 3.48Å; F141-V154 PolarHBondContact O-N 3.04Å |
| 142 | I | 98.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 134.6 | 174 | -58.1 | 172.5 | 0 | 0 | 0 | 107.3 | I85 I89 L119 I120 V121 G122 F144 V154 M292 | I85-I142 HydrophobicContact CG2-CG2 3.75Å; I89-I142 HydrophobicContact CD1-CD1 3.88Å; I89-I142 HydrophobicContact CG1-CD1 4.21Å; L119-I142 HydrophobicContact CB-CD1 4.23Å; L119-I142 HydrophobicContact CD1-CD1 4.35Å; L119-I142 HydrophobicContact CD2-CD1 4.26Å; I120-I142 PolarHBondContact O-N 2.75Å; V121-I142 CarbonylContact C-O 3.07Å; V121-I142 WeakPolarHBondContact CA-O 3.49Å; V121-I142 HydrophobicContact CG1-CB 4.49Å; V121-I142 HydrophobicContact CG1-CG2 4.48Å; V121-I142 HydrophobicContact CG2-CB 4.26Å; V121-I142 HydrophobicContact CG2-CD1 4.28Å; G122-I142 PolarHBondContact N-O 3.17Å; I142-F144 PolarHBondContact O-N 3.44Å; I142-V154 CarbonylContact C-O 3.59Å; I142-V154 VanDerWaalsContact CA-O 3.3Å; I142-V154 WeakPolarHBondContact CA-O 3.43Å; I142-M292 HydrophobicContact CG2-CB 3.92Å; I142-M292 HydrophobicContact CG2-CE 4.2Å |
| 143 | D | 95.9 | Very high | 94 | Very high | 28 Ų | 28 | 40.3 Ų | 40.3 | 15% | 0.15 | 26% | 0.263 | C | S | . | . | S | Bend | trans | 62.9 | 23.9 | -175.5 | -164.7 | 48 | 0 | 0 | 0 | 113.3 | Y81 Y82 I85 V154 M292 | Y81-D143 WeakPolarHBondContact CE1-OD2 3.45Å; Y81-D143 PolarHBondContact OH-OD1 2.78Å; Y82-D143 WeakPolarHBondContact CE1-OD2 3.2Å; I85-D143 HydrophobicContact CD1-CB 4.19Å; D143-V154 PolarHBondContact N-O 3.18Å; D143-M292 HydrophobicContact CB-CE 3.8Å |
| 144 | F | 94.5 | Very high | 94.3 | Very high | 42 Ų | 42 | 39 Ų | 39 | 18% | 0.184 | 25% | 0.253 | C | S | . | . | trans | -165.9 | 149.1 | 177 | 176.5 | -108.7 | 0 | 0 | 0 | 109.2 | K123 F141 I142 E146 | K123-F144 HydrophobicContact CB-CD2 3.75Å; K123-F144 HydrophobicContact CB-CE2 3.99Å; K123-F144 HydrophobicContact CB-CG 4.06Å; K123-F144 HydrophobicContact CB-CZ 4.48Å; K123-F144 HydrophobicContact CD-CD2 4.48Å; K123-F144 HydrophobicContact CD-CE2 3.99Å; K123-F144 HydrophobicContact CD-CZ 4.48Å; K123-F144 HydrophobicContact CG-CD2 3.96Å; K123-F144 HydrophobicContact CG-CE1 4.36Å; K123-F144 HydrophobicContact CG-CE2 3.65Å; K123-F144 HydrophobicContact CG-CG 4.46Å; K123-F144 HydrophobicContact CG-CZ 3.87Å; F141-F144 HydrophobicContact CB-CD1 4.3Å; F141-F144 WeakPolarHBondContact CB-O 3.46Å; F141-F144 HydrophobicContact CD1-CD1 4.17Å; F141-F144 HydrophobicContact CD2-CD1 4.47Å; F141-F144 HydrophobicContact CG-CD1 4.07Å; I142-F144 PolarHBondContact O-N 3.44Å; F144-E146 HydrophobicContact CE1-CB 3.97Å; F144-E146 HydrophobicContact CZ-CB 4.2Å | ||
| 145 | H | 94 | Very high | 94.5 | Very high | 62 Ų | 62 | 35.4 Ų | 35.4 | 29% | 0.287 | 22% | 0.222 | S | C | . | . | trans | -139.2 | 144.8 | 161.8 | 71.5 | -79.5 | 0 | 0 | 0 | 110.8 | A153 D155 L313 | H145-A153 HydrophobicContact CB-CB 3.72Å; H145-D155 IonicContact CE1-OD2 2.96Å; H145-D155 IonicContact CG-OD2 2.84Å; H145-D155 PolarHBondContact N-OD2 3.47Å; H145-D155 IonicContact ND1-OD2 3.86Å; H145-D155 PolarHBondContact ND1-OD2 3.26Å; H145-L313 HydrophobicContact CB-CD1 3.78Å | ||
| 146 | E | 89.8 | Confident | 94.8 | Very high | 56 Ų | 56 | 32.1 Ų | 32.1 | 26% | 0.262 | 21% | 0.205 | S | C | . | . | trans | -100.1 | 113.4 | 173.4 | -179.6 | -180 | -77.3 | 0 | 0 | 108.5 | R129 F141 F144 G148 S149 | R129-E146 IonicContact CZ-OE1 3.94Å; R129-E146 IonicContact CZ-OE2 2.78Å; R129-E146 IonicContact NE-OE1 3Å; R129-E146 PolarHBondContact NE-OE1 2.89Å; R129-E146 IonicContact NE-OE2 3.07Å; R129-E146 PolarHBondContact NE-OE2 3.16Å; R129-E146 IonicContact NH2-OE2 3.17Å; R129-E146 PolarHBondContact NH2-OE2 2.97Å; F141-E146 HydrophobicContact CE2-CB 4.45Å; F144-E146 HydrophobicContact CE1-CB 3.97Å; F144-E146 HydrophobicContact CZ-CB 4.2Å; E146-G148 PolarHBondContact O-N 3.46Å; E146-S149 VanDerWaalsContact O-CB 3.27Å; E146-S149 WeakPolarHBondContact O-CB 3.36Å; E146-S149 PolarHBondContact O-N 2.66Å; E146-S149 PolarHBondContact O-OG 2.83Å; E146-S149 WeakPolarHBondContact OE2-CB 3.39Å | ||
| 147 | P | 88.6 | Confident | 94.9 | Very high | 112 Ų | 112 | 33.8 Ų | 33.8 | 73% | 0.727 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 127.4 | 179.3 | -27.3 | 35.5 | 0 | 0 | 0 | 112.1 | S149 | P147-S149 VanDerWaalsContact C-N 3.25Å; P147-S149 PolarHBondContact O-N 2.79Å |
| 148 | G | 88.4 | Confident | 95.1 | Very high | 87 Ų | 87 | 29.1 Ų | 29.1 | 90% | 0.897 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | 6.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | E146 | E146-G148 PolarHBondContact O-N 3.46Š|
| 149 | S | 89.6 | Confident | 95.2 | Very high | 21 Ų | 21 | 29.5 Ų | 29.5 | 15% | 0.147 | 19% | 0.193 | C | C | . | . | trans | -69.1 | 154.4 | 172.8 | 67.1 | 0 | 0 | 0 | 0 | 112.2 | E146 P147 Y151 | E146-S149 VanDerWaalsContact O-CB 3.27Å; E146-S149 WeakPolarHBondContact O-CB 3.36Å; E146-S149 PolarHBondContact O-N 2.66Å; E146-S149 PolarHBondContact O-OG 2.83Å; E146-S149 WeakPolarHBondContact OE2-CB 3.39Å; P147-S149 VanDerWaalsContact C-N 3.25Å; P147-S149 PolarHBondContact O-N 2.79Å; S149-Y151 PolarHBondContact O-N 3.15Å | ||
| 150 | G | 92.6 | Very high | 95.2 | Very high | 49 Ų | 49 | 36.1 Ų | 36.1 | 51% | 0.505 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -84.3 | 13 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 151 | Y | 96.3 | Very high | 95.2 | Very high | 31 Ų | 31 | 36.2 Ų | 36.2 | 12% | 0.122 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -109.9 | 151.8 | -171 | -60.5 | -46.2 | 0 | 0 | 0 | 111.7 | S133 I139 F141 S149 P311 | S133-Y151 VanDerWaalsContact CB-OH 3.27Å; S133-Y151 WeakPolarHBondContact CB-OH 3.47Å; S133-Y151 PolarHBondContact OG-OH 3.03Å; I139-Y151 HydrophobicContact CB-CD1 3.71Å; I139-Y151 HydrophobicContact CB-CE1 4.09Å; I139-Y151 HydrophobicContact CB-CG 3.96Å; I139-Y151 HydrophobicContact CD1-CD1 4.43Å; I139-Y151 HydrophobicContact CD1-CE1 3.96Å; I139-Y151 HydrophobicContact CD1-CE2 4.27Å; I139-Y151 HydrophobicContact CG1-CD1 4.27Å; I139-Y151 HydrophobicContact CG1-CE1 4.14Å; I139-Y151 HydrophobicContact CG2-CG 4.43Å; I139-Y151 WeakPolarHBondContact O-CB 3.46Å; F141-Y151 AromaticContact CE2-CD2 3.65Å; F141-Y151 HydrophobicContact CE2-CD2 3.65Å; F141-Y151 HydrophobicContact CE2-CG 4.18Å; F141-Y151 AromaticContact CZ-CD2 3.81Å; F141-Y151 HydrophobicContact CZ-CD2 3.81Å; S149-Y151 PolarHBondContact O-N 3.15Å; Y151-P311 VanDerWaalsContact O-CB 3.32Å; Y151-P311 WeakPolarHBondContact O-CB 3.24Å |
| 152 | D | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 155.2 | 172.9 | -72.4 | -23.3 | 0 | 0 | 0 | 109.7 | I139 C140 F141 L299 R308 P311 L312 | I139-D152 PolarHBondContact O-N 3.31Å; I139-D152 VanDerWaalsContact O-N 3.08Å; C140-D152 CarbonylContact C-O 3.58Å; C140-D152 VanDerWaalsContact CA-O 3.25Å; C140-D152 WeakPolarHBondContact CA-O 3.46Å; C140-D152 HydrophobicContact CB-CB 3.91Å; F141-D152 PolarHBondContact N-O 2.85Å; D152-L299 HydrophobicContact CB-CB 4.17Å; D152-L299 HydrophobicContact CB-CD1 4.13Å; D152-R308 IonicContact OD1-CZ 3.52Å; D152-R308 IonicContact OD1-NH1 3.89Å; D152-R308 PolarHBondContact OD1-NH1 3.4Å; D152-R308 IonicContact OD1-NH2 2.79Å; D152-R308 IonicContact OD2-CZ 3.18Å; D152-R308 IonicContact OD2-NH1 2.74Å; D152-R308 PolarHBondContact OD2-NH1 2.86Å; D152-R308 IonicContact OD2-NH2 2.66Å; D152-R308 PolarHBondContact OD2-NH2 3.06Å; D152-P311 WeakPolarHBondContact OD1-CA 3.45Å; D152-L312 CarbonylContact C-O 3.53Å; D152-L312 WeakPolarHBondContact CA-O 3.07Å; D152-L312 PolarHBondContact OD1-N 2.95Å |
| 153 | A | 98.3 | Very high | 95.2 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 3% | 0.025 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 141.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | F141 H145 L312 L313 V314 | F141-A153 HydrophobicContact CB-CB 4.24Å; F141-A153 CarbonylContact O-C 3.52Å; F141-A153 VanDerWaalsContact O-CA 3.27Å; F141-A153 WeakPolarHBondContact O-CA 3.48Å; H145-A153 HydrophobicContact CB-CB 3.72Å; A153-L312 PolarHBondContact N-O 3.16Å; A153-L313 HydrophobicContact CB-CD1 3.66Å; A153-L313 WeakPolarHBondContact O-CA 3.4Å; A153-V314 PolarHBondContact O-N 3.17Å |
| 154 | V | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 115.9 | 168 | -173.3 | 0 | 0 | 0 | 0 | 108.7 | F141 I142 D143 M292 Q295 L299 V314 V316 | F141-V154 PolarHBondContact O-N 3.04Å; I142-V154 CarbonylContact C-O 3.59Å; I142-V154 VanDerWaalsContact CA-O 3.3Å; I142-V154 WeakPolarHBondContact CA-O 3.43Å; D143-V154 PolarHBondContact N-O 3.18Å; V154-M292 HydrophobicContact CG1-CB 4.04Å; V154-M292 HydrophobicContact CG1-CG 4.22Å; V154-Q295 HydrophobicContact CG1-CB 4.12Å; V154-Q295 HydrophobicContact CG2-CB 3.89Å; V154-L299 HydrophobicContact CG2-CD1 3.52Å; V154-V314 CarbonylContact C-O 3.51Å; V154-V314 WeakPolarHBondContact CA-O 3.46Å; V154-V314 HydrophobicContact CG2-CB 4.5Å; V154-V316 HydrophobicContact CG1-CG1 3.81Å |
| 155 | D | 97.3 | Very high | 95.5 | Very high | 14 Ų | 14 | 40.4 Ų | 40.4 | 8% | 0.075 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 179.4 | -171.3 | -155.1 | -5 | 0 | 0 | 0 | 111.8 | H145 L313 V314 F315 V316 | H145-D155 IonicContact CE1-OD2 2.96Å; H145-D155 IonicContact CG-OD2 2.84Å; H145-D155 PolarHBondContact N-OD2 3.47Å; H145-D155 IonicContact ND1-OD2 3.86Å; H145-D155 PolarHBondContact ND1-OD2 3.26Å; D155-L313 HydrophobicContact CB-CD1 4.36Å; D155-V314 PolarHBondContact N-O 3.17Å; D155-F315 HydrophobicContact CB-CD1 4.17Å; D155-F315 HydrophobicContact CB-CE1 3.96Å; D155-F315 CarbonylContact O-C 3.56Å; D155-F315 VanDerWaalsContact O-CA 3.27Å; D155-F315 WeakPolarHBondContact O-CA 3.47Å; D155-V316 PolarHBondContact O-N 2.54Å |
| 156 | I | 96 | Very high | 95.7 | Very high | 6 Ų | 6 | 37.4 Ų | 37.4 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | trans | -117.8 | 138.1 | 173.7 | -55.9 | 126.9 | 0 | 0 | 0 | 108.5 | Y81 L158 I161 I287 M292 F315 V316 | Y81-I156 WeakPolarHBondContact OH-CD1 3.5Å; I156-L158 HydrophobicContact CB-CD2 4.39Å; I156-L158 HydrophobicContact CB-CG 4.23Å; I156-L158 HydrophobicContact CG2-CD2 3.99Å; I156-L158 HydrophobicContact CG2-CG 4.19Å; I156-L158 PolarHBondContact O-N 2.63Å; I156-I161 HydrophobicContact CG2-CD1 3.47Å; I156-I161 VanDerWaalsContact CG2-CD1 3.47Å; I156-I287 HydrophobicContact CD1-CD1 3.91Å; I156-I287 HydrophobicContact CD1-CG2 3.69Å; I156-I287 HydrophobicContact CG1-CD1 4.19Å; I156-I287 HydrophobicContact CG1-CG1 4.44Å; I156-I287 HydrophobicContact CG1-CG2 3.67Å; I156-I287 HydrophobicContact CG2-CD1 3.96Å; I156-I287 HydrophobicContact CG2-CG1 4.19Å; I156-M292 HydrophobicContact CD1-CE 3.47Å; I156-M292 VanDerWaalsContact CD1-CE 3.47Å; I156-M292 HydrophobicContact CD1-SD 3.55Å; I156-M292 VanDerWaalsContact CD1-SD 3.55Å; I156-M292 HydrophobicContact CG1-CE 3.95Å; I156-M292 HydrophobicContact CG1-SD 3.84Å; I156-F315 VanDerWaalsContact C-CD1 3.48Å; I156-V316 HydrophobicContact CG1-CG2 3.69Å | ||
| 157 | D | 96.3 | Very high | 96.1 | Very high | 62 Ų | 62 | 37.2 Ų | 37.2 | 33% | 0.332 | 22% | 0.223 | S | C | . | . | trans | -78.8 | 73.6 | 171.8 | -168.2 | -13.7 | 0 | 0 | 0 | 110 | A159 R160 I161 F315 | D157-A159 PolarHBondContact O-N 2.91Å; D157-R160 HydrophobicContact CB-CB 3.91Å; D157-R160 WeakPolarHBondContact O-CB 3.49Å; D157-R160 PolarHBondContact O-N 2.89Å; D157-R160 VanDerWaalsContact O-N 3.17Å; D157-R160 VanDerWaalsContact OD1-CB 3.25Å; D157-R160 WeakPolarHBondContact OD1-CB 3.37Å; D157-R160 PolarHBondContact OD1-N 2.71Å; D157-R160 VanDerWaalsContact OD2-CB 3.23Å; D157-R160 WeakPolarHBondContact OD2-CB 3.4Å; D157-I161 PolarHBondContact O-N 3.09Å; D157-F315 HydrophobicContact CB-CD1 3.97Å; D157-F315 HydrophobicContact CB-CE1 4.2Å; D157-F315 HydrophobicContact CB-CG 4.37Å; D157-F315 VanDerWaalsContact N-CD1 3.35Å | ||
| 158 | L | 96.3 | Very high | 96.5 | Very high | 22 Ų | 22 | 33.4 Ų | 33.4 | 12% | 0.115 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.7 | -31.6 | -179.8 | -71.1 | 173.3 | 0 | 0 | 0 | 111.9 | I156 I161 S162 I191 R192 I287 | I156-L158 HydrophobicContact CB-CD2 4.39Å; I156-L158 HydrophobicContact CB-CG 4.23Å; I156-L158 HydrophobicContact CG2-CD2 3.99Å; I156-L158 HydrophobicContact CG2-CG 4.19Å; I156-L158 PolarHBondContact O-N 2.63Å; L158-I161 HydrophobicContact CD2-CD1 4.28Å; L158-I161 PolarHBondContact O-N 2.84Å; L158-S162 PolarHBondContact O-N 3.35Å; L158-S162 PolarHBondContact O-OG 3.25Å; L158-I191 HydrophobicContact CB-CG2 3.7Å; L158-I191 HydrophobicContact CD1-CG2 3.74Å; L158-I191 HydrophobicContact CG-CG2 4.38Å; L158-R192 HydrophobicContact CB-CG 3.88Å; L158-R192 HydrophobicContact CD2-CG 4.16Å; L158-R192 HydrophobicContact CG-CG 4.42Å; L158-I287 HydrophobicContact CD2-CD1 4.35Å |
| 159 | A | 96.7 | Very high | 97 | Very high | 22 Ų | 22 | 29.4 Ų | 29.4 | 18% | 0.182 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.3 | -42.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | D157 S162 K163 I191 A195 | D157-A159 PolarHBondContact O-N 2.91Å; A159-S162 PolarHBondContact O-N 2.67Å; A159-K163 WeakPolarHBondContact O-CG 3.28Å; A159-K163 PolarHBondContact O-N 2.82Å; A159-I191 HydrophobicContact CB-CG1 4.25Å; A159-A195 HydrophobicContact CB-CB 3.78Å |
| 160 | R | 97.2 | Very high | 97.4 | Very high | 141 Ų | 141 | 31 Ų | 31 | 53% | 0.532 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -64.1 | -41.5 | 172.8 | 176.6 | -179.5 | 170.3 | -175 | -5 | 112 | D157 S162 K163 E164 | D157-R160 HydrophobicContact CB-CB 3.91Å; D157-R160 WeakPolarHBondContact O-CB 3.49Å; D157-R160 PolarHBondContact O-N 2.89Å; D157-R160 VanDerWaalsContact O-N 3.17Å; D157-R160 VanDerWaalsContact OD1-CB 3.25Å; D157-R160 WeakPolarHBondContact OD1-CB 3.37Å; D157-R160 PolarHBondContact OD1-N 2.71Å; D157-R160 VanDerWaalsContact OD2-CB 3.23Å; D157-R160 WeakPolarHBondContact OD2-CB 3.4Å; R160-S162 VanDerWaalsContact C-N 3.31Å; R160-S162 PolarHBondContact O-N 3Å; R160-K163 PolarHBondContact O-N 3.23Å; R160-K163 VanDerWaalsContact O-N 3.11Å; R160-E164 HydrophobicContact CG-CG 4.23Å; R160-E164 IonicContact CZ-OE1 4Å; R160-E164 VanDerWaalsContact CZ-OE1 3.27Å; R160-E164 IonicContact NE-OE1 3.35Å; R160-E164 PolarHBondContact NE-OE1 3.06Å; R160-E164 IonicContact NH2-OE1 2.84Å; R160-E164 PolarHBondContact NH2-OE1 3.11Å; R160-E164 WeakPolarHBondContact O-CG 3.44Å; R160-E164 PolarHBondContact O-N 3.33Å |
| 161 | I | 98.2 | Very high | 97.6 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.2 | -46.2 | 175.8 | -72.2 | 173.4 | 0 | 0 | 0 | 111 | I156 D157 L158 K163 E164 I165 V269 V285 I287 | I156-I161 HydrophobicContact CG2-CD1 3.47Å; I156-I161 VanDerWaalsContact CG2-CD1 3.47Å; D157-I161 PolarHBondContact O-N 3.09Å; L158-I161 HydrophobicContact CD2-CD1 4.28Å; L158-I161 PolarHBondContact O-N 2.84Å; I161-K163 VanDerWaalsContact C-N 3.31Å; I161-K163 PolarHBondContact O-N 3.25Å; I161-E164 PolarHBondContact O-N 3.44Å; I161-I165 HydrophobicContact CG2-CD1 3.89Å; I161-I165 WeakPolarHBondContact O-CG1 3.33Å; I161-I165 PolarHBondContact O-N 3.47Å; I161-V269 HydrophobicContact CG2-CG2 4.12Å; I161-V285 HydrophobicContact CD1-CG1 3.85Å; I161-V285 HydrophobicContact CG1-CG1 4.04Å; I161-V285 HydrophobicContact CG2-CB 4.18Å; I161-V285 HydrophobicContact CG2-CG1 4.09Å; I161-V285 HydrophobicContact CG2-CG2 4.05Å; I161-I287 HydrophobicContact CD1-CD1 4.38Å; I161-I287 HydrophobicContact CD1-CG1 4.39Å |
| 162 | S | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.3 | -43.5 | 175.8 | -61.4 | 0 | 0 | 0 | 0 | 112.5 | L158 A159 R160 I165 I166 R192 F239 | L158-S162 PolarHBondContact O-N 3.35Å; L158-S162 PolarHBondContact O-OG 3.25Å; A159-S162 PolarHBondContact O-N 2.67Å; R160-S162 VanDerWaalsContact C-N 3.31Å; R160-S162 PolarHBondContact O-N 3Å; S162-I165 PolarHBondContact O-N 3.32Å; S162-I166 WeakPolarHBondContact O-CG1 3.47Å; S162-I166 PolarHBondContact O-N 3.24Å; S162-I166 VanDerWaalsContact O-N 3.07Å; S162-R192 WeakPolarHBondContact OG-CA 3.27Å; S162-R192 WeakPolarHBondContact OG-CB 3.35Å; S162-R192 PolarHBondContact OG-O 2.82Å; S162-F239 VanDerWaalsContact OG-CE1 3.3Å; S162-F239 WeakPolarHBondContact OG-CE1 3.1Å |
| 163 | K | 98.3 | Very high | 97.6 | Very high | 91 Ų | 91 | 41.8 Ų | 41.8 | 40% | 0.396 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.5 | -44 | 179.5 | -65 | 174.1 | -176.4 | 172.5 | 0 | 111.9 | A159 R160 I161 I165 I166 D167 Y199 | A159-K163 WeakPolarHBondContact O-CG 3.28Å; A159-K163 PolarHBondContact O-N 2.82Å; R160-K163 PolarHBondContact O-N 3.23Å; R160-K163 VanDerWaalsContact O-N 3.11Å; I161-K163 VanDerWaalsContact C-N 3.31Å; I161-K163 PolarHBondContact O-N 3.25Å; K163-I165 VanDerWaalsContact C-N 3.31Å; K163-I165 PolarHBondContact O-N 2.95Å; K163-I166 PolarHBondContact O-N 2.95Å; K163-D167 PolarHBondContact O-N 3Å; K163-Y199 HydrophobicContact CB-CD1 3.8Å; K163-Y199 HydrophobicContact CB-CE1 3.82Å; K163-Y199 HydrophobicContact CB-CG 4.34Å; K163-Y199 HydrophobicContact CD-CD2 4.37Å; K163-Y199 HydrophobicContact CD-CG 4.33Å; K163-Y199 HydrophobicContact CG-CD1 3.64Å; K163-Y199 HydrophobicContact CG-CD2 4.2Å; K163-Y199 HydrophobicContact CG-CE1 4.1Å; K163-Y199 HydrophobicContact CG-CG 3.69Å |
| 164 | E | 98.1 | Very high | 97.5 | Very high | 67 Ų | 67 | 43.3 Ų | 43.3 | 31% | 0.313 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.1 | -37.6 | 177.9 | -72.6 | -179.2 | 174.6 | 0 | 0 | 112 | R160 I161 F168 | R160-E164 HydrophobicContact CG-CG 4.23Å; R160-E164 IonicContact CZ-OE1 4Å; R160-E164 VanDerWaalsContact CZ-OE1 3.27Å; R160-E164 IonicContact NE-OE1 3.35Å; R160-E164 PolarHBondContact NE-OE1 3.06Å; R160-E164 IonicContact NH2-OE1 2.84Å; R160-E164 PolarHBondContact NH2-OE1 3.11Å; R160-E164 WeakPolarHBondContact O-CG 3.44Å; R160-E164 PolarHBondContact O-N 3.33Å; I161-E164 PolarHBondContact O-N 3.44Å; E164-F168 WeakPolarHBondContact O-CB 3.4Å; E164-F168 PolarHBondContact O-N 3.32Å |
| 165 | I | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.9 | -41.9 | 174.7 | -70.1 | 169.5 | 0 | 0 | 0 | 111.5 | I161 S162 K163 F168 Y169 F239 I267 V285 | I161-I165 HydrophobicContact CG2-CD1 3.89Å; I161-I165 WeakPolarHBondContact O-CG1 3.33Å; I161-I165 PolarHBondContact O-N 3.47Å; S162-I165 PolarHBondContact O-N 3.32Å; K163-I165 VanDerWaalsContact C-N 3.31Å; K163-I165 PolarHBondContact O-N 2.95Å; I165-F168 WeakPolarHBondContact O-CB 3.5Å; I165-F168 PolarHBondContact O-N 3.45Å; I165-Y169 HydrophobicContact CG2-CD2 3.95Å; I165-Y169 HydrophobicContact CG2-CE2 3.9Å; I165-Y169 WeakPolarHBondContact O-CD2 3.42Å; I165-Y169 PolarHBondContact O-N 3.38Å; I165-Y169 VanDerWaalsContact O-N 3.08Å; I165-F239 HydrophobicContact CD1-CD2 3.44Å; I165-F239 VanDerWaalsContact CD1-CD2 3.44Å; I165-F239 HydrophobicContact CD1-CE2 3.27Å; I165-F239 HydrophobicContact CD1-CG 4.23Å; I165-F239 HydrophobicContact CD1-CZ 3.93Å; I165-F239 HydrophobicContact CG2-CB 3.96Å; I165-F239 HydrophobicContact CG2-CD2 4.08Å; I165-F239 HydrophobicContact CG2-CG 3.98Å; I165-I267 HydrophobicContact CD1-CG2 3.81Å; I165-I267 HydrophobicContact CG1-CG2 3.98Å; I165-I267 HydrophobicContact CG2-CB 4.36Å; I165-I267 HydrophobicContact CG2-CD1 4.37Å; I165-V285 HydrophobicContact CD1-CG2 3.88Å; I165-V285 HydrophobicContact CG1-CG2 4.13Å |
| 166 | I | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.9 | -49.6 | 173.7 | -74.2 | 166.5 | 0 | 0 | 0 | 110.5 | S162 K163 F168 Y169 I170 I177 F196 Y199 K203 V205 | S162-I166 WeakPolarHBondContact O-CG1 3.47Å; S162-I166 PolarHBondContact O-N 3.24Å; S162-I166 VanDerWaalsContact O-N 3.07Å; K163-I166 PolarHBondContact O-N 2.95Å; I166-F168 VanDerWaalsContact C-N 3.3Å; I166-F168 PolarHBondContact O-N 3.43Å; I166-Y169 PolarHBondContact O-N 3.1Å; I166-Y169 VanDerWaalsContact O-N 3.17Å; I166-I170 HydrophobicContact CG2-CD1 3.6Å; I166-I170 HydrophobicContact CG2-CG1 4.32Å; I166-I170 WeakPolarHBondContact O-CG1 3.16Å; I166-I170 PolarHBondContact O-N 3.24Å; I166-I177 HydrophobicContact CB-CD1 4.46Å; I166-I177 HydrophobicContact CG1-CD1 4.27Å; I166-I177 HydrophobicContact CG2-CD1 4.4Å; I166-F196 HydrophobicContact CD1-CB 4.47Å; I166-F196 HydrophobicContact CD1-CD2 3.63Å; I166-F196 HydrophobicContact CD1-CE2 4.21Å; I166-F196 HydrophobicContact CD1-CG 4.27Å; I166-F196 WeakPolarHBondContact CD1-O 3.36Å; I166-F196 HydrophobicContact CG1-CD2 3.8Å; I166-F196 HydrophobicContact CG1-CE2 4.02Å; I166-Y199 HydrophobicContact CB-CD1 3.97Å; I166-Y199 HydrophobicContact CB-CE1 4.16Å; I166-Y199 HydrophobicContact CD1-CD1 3.81Å; I166-Y199 HydrophobicContact CG2-CD1 3.78Å; I166-Y199 HydrophobicContact CG2-CE1 3.84Å; I166-K203 HydrophobicContact CG2-CG 4.43Å; I166-V205 HydrophobicContact CG2-CG2 3.96Å |
| 167 | D | 98.2 | Very high | 97.6 | Very high | 52 Ų | 52 | 50.2 Ų | 50.2 | 28% | 0.278 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.3 | -38.7 | 180 | -71.7 | -25 | 0 | 0 | 0 | 111.4 | K163 Y169 I170 N171 Y199 | K163-D167 PolarHBondContact O-N 3Å; D167-Y169 PolarHBondContact O-N 3.42Å; D167-I170 PolarHBondContact O-N 2.86Å; D167-N171 WeakPolarHBondContact O-CB 3.32Å; D167-N171 PolarHBondContact O-N 2.89Å; D167-N171 PolarHBondContact O-ND2 2.87Å; D167-N171 VanDerWaalsContact O-ND2 3.07Å; D167-Y199 VanDerWaalsContact CG-OH 3.32Å; D167-Y199 VanDerWaalsContact OD1-CE1 3.32Å; D167-Y199 WeakPolarHBondContact OD1-CE1 3.43Å; D167-Y199 PolarHBondContact OD1-OH 3.32Å; D167-Y199 PolarHBondContact OD2-OH 2.97Å |
| 168 | F | 98.3 | Very high | 97.7 | Very high | 32 Ų | 32 | 47.3 Ų | 47.3 | 14% | 0.14 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57 | -49.6 | 172.7 | 173.5 | -93.1 | 0 | 0 | 0 | 111.7 | E164 I165 I166 N171 Q172 I267 L320 L322 T326 | E164-F168 WeakPolarHBondContact O-CB 3.4Å; E164-F168 PolarHBondContact O-N 3.32Å; I165-F168 WeakPolarHBondContact O-CB 3.5Å; I165-F168 PolarHBondContact O-N 3.45Å; I166-F168 VanDerWaalsContact C-N 3.3Å; I166-F168 PolarHBondContact O-N 3.43Å; F168-N171 PolarHBondContact O-N 2.84Å; F168-Q172 HydrophobicContact CE1-CG 4.1Å; F168-Q172 HydrophobicContact CZ-CG 4.06Å; F168-Q172 WeakPolarHBondContact O-CG 3.43Å; F168-Q172 PolarHBondContact O-N 2.7Å; F168-I267 HydrophobicContact CD1-CD1 3.4Å; F168-I267 VanDerWaalsContact CD1-CD1 3.4Å; F168-I267 HydrophobicContact CE1-CD1 3.62Å; F168-I267 HydrophobicContact CG-CD1 4.26Å; F168-L320 HydrophobicContact CB-CD2 4.33Å; F168-L320 HydrophobicContact CD2-CD2 3.84Å; F168-L320 HydrophobicContact CE2-CD2 4.37Å; F168-L320 HydrophobicContact CG-CD2 4.01Å; F168-L322 HydrophobicContact CE1-CD2 4.15Å; F168-L322 HydrophobicContact CE2-CD1 3.63Å; F168-L322 HydrophobicContact CE2-CD2 3.77Å; F168-L322 HydrophobicContact CE2-CG 4.32Å; F168-L322 HydrophobicContact CZ-CD1 3.95Å; F168-L322 HydrophobicContact CZ-CD2 3.54Å; F168-L322 HydrophobicContact CZ-CG 4.42Å; F168-T326 HydrophobicContact CE1-CG2 4.27Å |
| 169 | Y | 98.4 | Very high | 97.8 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.8 | -40.1 | 179.9 | -83.1 | -51.8 | 0 | 0 | 0 | 112.9 | I165 I166 D167 N171 Q172 G173 V174 I177 A237 L238 S265 L266 I267 | I165-Y169 HydrophobicContact CG2-CD2 3.95Å; I165-Y169 HydrophobicContact CG2-CE2 3.9Å; I165-Y169 WeakPolarHBondContact O-CD2 3.42Å; I165-Y169 PolarHBondContact O-N 3.38Å; I165-Y169 VanDerWaalsContact O-N 3.08Å; I166-Y169 PolarHBondContact O-N 3.1Å; I166-Y169 VanDerWaalsContact O-N 3.17Å; D167-Y169 PolarHBondContact O-N 3.42Å; Y169-N171 VanDerWaalsContact C-N 3.3Å; Y169-N171 PolarHBondContact O-N 2.84Å; Y169-Q172 CarbonylContact O-C 3.51Å; Y169-Q172 WeakPolarHBondContact O-CA 3.46Å; Y169-Q172 WeakPolarHBondContact O-CB 3.29Å; Y169-Q172 PolarHBondContact O-N 3.37Å; Y169-G173 PolarHBondContact O-N 2.79Å; Y169-V174 HydrophobicContact CD1-CB 4.49Å; Y169-V174 HydrophobicContact CD1-CG2 3.93Å; Y169-V174 VanDerWaalsContact O-CB 3.28Å; Y169-V174 WeakPolarHBondContact O-CB 3.4Å; Y169-V174 PolarHBondContact O-N 2.89Å; Y169-I177 HydrophobicContact CD2-CD1 4.06Å; Y169-I177 HydrophobicContact CD2-CG1 4.31Å; Y169-I177 HydrophobicContact CD2-CG2 3.97Å; Y169-I177 HydrophobicContact CE2-CG2 4.26Å; Y169-I177 HydrophobicContact CG-CD1 4.17Å; Y169-I177 HydrophobicContact CG-CG1 4.37Å; Y169-A237 HydrophobicContact CD1-CB 3.75Å; Y169-A237 HydrophobicContact CD2-CB 4.34Å; Y169-A237 HydrophobicContact CE1-CB 3.63Å; Y169-A237 HydrophobicContact CE2-CB 4.22Å; Y169-A237 HydrophobicContact CG-CB 4.12Å; Y169-L238 PolarHBondContact OH-O 2.58Å; Y169-L238 VanDerWaalsContact OH-O 3.13Å; Y169-S265 WeakPolarHBondContact CE1-OG 3.38Å; Y169-L266 VanDerWaalsContact OH-C 3.31Å; Y169-L266 VanDerWaalsContact OH-CA 3.25Å; Y169-L266 WeakPolarHBondContact OH-CA 3.5Å; Y169-L266 PolarHBondContact OH-N 2.9Å; Y169-I267 HydrophobicContact CE1-CD1 4.42Å; Y169-I267 HydrophobicContact CE2-CD1 4Å; Y169-I267 HydrophobicContact CE2-CG1 4.37Å; Y169-I267 PolarHBondContact OH-N 2.67Å |
| 170 | I | 97.9 | Very high | 97.9 | Very high | 55 Ų | 55 | 45.2 Ų | 45.2 | 28% | 0.282 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.4 | -44.2 | 173.8 | -70.1 | 168.9 | 0 | 0 | 0 | 110.6 | I166 D167 Q172 G173 K203 V205 | I166-I170 HydrophobicContact CG2-CD1 3.6Å; I166-I170 HydrophobicContact CG2-CG1 4.32Å; I166-I170 WeakPolarHBondContact O-CG1 3.16Å; I166-I170 PolarHBondContact O-N 3.24Å; D167-I170 PolarHBondContact O-N 2.86Å; I170-Q172 PolarHBondContact O-N 2.79Å; I170-G173 WeakPolarHBondContact O-CA 3.28Å; I170-G173 PolarHBondContact O-N 2.75Å; I170-K203 HydrophobicContact CD1-CB 3.7Å; I170-K203 HydrophobicContact CD1-CD 4.14Å; I170-K203 HydrophobicContact CD1-CG 3.83Å; I170-V205 HydrophobicContact CD1-CG1 4.31Å; I170-V205 HydrophobicContact CD1-CG2 4.19Å; I170-V205 HydrophobicContact CG1-CG1 3.94Å; I170-V205 HydrophobicContact CG1-CG2 4.31Å |
| 171 | N | 97.4 | Very high | 97.8 | Very high | 138 Ų | 138 | 38.5 Ų | 38.5 | 74% | 0.738 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -64.6 | -21.2 | 177.5 | -70.5 | -28.8 | 0 | 0 | 0 | 113.1 | D167 F168 Y169 G173 | D167-N171 WeakPolarHBondContact O-CB 3.32Å; D167-N171 PolarHBondContact O-N 2.89Å; D167-N171 PolarHBondContact O-ND2 2.87Å; D167-N171 VanDerWaalsContact O-ND2 3.07Å; F168-N171 PolarHBondContact O-N 2.84Å; Y169-N171 VanDerWaalsContact C-N 3.3Å; Y169-N171 PolarHBondContact O-N 2.84Å; N171-G173 VanDerWaalsContact C-N 3.3Å |
| 172 | Q | 96.2 | Very high | 97.5 | Very high | 103 Ų | 103 | 38.4 Ų | 38.4 | 48% | 0.481 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 4.4 | 171.5 | -66 | -68.9 | -17.9 | 0 | 0 | 113.2 | F168 Y169 I170 V174 | F168-Q172 HydrophobicContact CE1-CG 4.1Å; F168-Q172 HydrophobicContact CZ-CG 4.06Å; F168-Q172 WeakPolarHBondContact O-CG 3.43Å; F168-Q172 PolarHBondContact O-N 2.7Å; Y169-Q172 CarbonylContact O-C 3.51Å; Y169-Q172 WeakPolarHBondContact O-CA 3.46Å; Y169-Q172 WeakPolarHBondContact O-CB 3.29Å; Y169-Q172 PolarHBondContact O-N 3.37Å; I170-Q172 PolarHBondContact O-N 2.79Å; Q172-V174 VanDerWaalsContact C-N 3.32Å; Q172-V174 HydrophobicContact CB-CG2 4.39Å |
| 173 | G | 96.8 | Very high | 97.1 | Very high | 64 Ų | 64 | 41.1 Ų | 41.1 | 66% | 0.66 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | 14.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y169 I170 N171 | Y169-G173 PolarHBondContact O-N 2.79Å; I170-G173 WeakPolarHBondContact O-CA 3.28Å; I170-G173 PolarHBondContact O-N 2.75Å; N171-G173 VanDerWaalsContact C-N 3.3Å |
| 174 | V | 96.8 | Very high | 96.3 | Very high | 36 Ų | 36 | 42.7 Ų | 42.7 | 22% | 0.218 | 23% | 0.232 | C | C | . | . | trans | -74.6 | 130.7 | 175.6 | 176.6 | 0 | 0 | 0 | 0 | 109.7 | Y169 Q172 R176 I177 A237 | Y169-V174 HydrophobicContact CD1-CB 4.49Å; Y169-V174 HydrophobicContact CD1-CG2 3.93Å; Y169-V174 VanDerWaalsContact O-CB 3.28Å; Y169-V174 WeakPolarHBondContact O-CB 3.4Å; Y169-V174 PolarHBondContact O-N 2.89Å; Q172-V174 VanDerWaalsContact C-N 3.32Å; Q172-V174 HydrophobicContact CB-CG2 4.39Å; V174-R176 WeakPolarHBondContact CG1-O 3.23Å; V174-I177 HydrophobicContact CG1-CG1 3.81Å; V174-A237 HydrophobicContact CG1-CB 3.61Å; V174-A237 HydrophobicContact CG2-CB 4.22Å | ||
| 175 | N | 96 | Very high | 95.7 | Very high | 130 Ų | 130 | 43.4 Ų | 43.4 | 70% | 0.695 | 24% | 0.236 | S | C | * | . | trans | -110.2 | -2.5 | -178.5 | 61.3 | 20.4 | 0 | 0 | 0 | 114 | V205 | N175-V205 WeakPolarHBondContact O-CA 3.39Š| ||
| 176 | R | 98 | Very high | 95 | Very high | 35 Ų | 35 | 49.1 Ų | 49.1 | 13% | 0.132 | 27% | 0.273 | C | S | . | . | trans | -151.5 | 118.3 | 179.3 | -170.1 | -179.7 | 178.5 | -168.2 | -3.5 | 110.2 | V174 V205 D210 D233 P235 | V174-R176 WeakPolarHBondContact CG1-O 3.23Å; R176-V205 CarbonylContact C-O 3.56Å; R176-V205 VanDerWaalsContact CA-O 3.29Å; R176-V205 WeakPolarHBondContact CA-O 3.42Å; R176-D210 IonicContact CZ-OD1 3.5Å; R176-D210 IonicContact CZ-OD2 3.32Å; R176-D210 IonicContact NE-OD1 3.59Å; R176-D210 IonicContact NE-OD2 2.68Å; R176-D210 PolarHBondContact NE-OD2 3.23Å; R176-D210 VanDerWaalsContact NH2-CG 3.33Å; R176-D210 IonicContact NH2-OD1 3.76Å; R176-D210 PolarHBondContact NH2-OD1 3.02Å; R176-D210 IonicContact NH2-OD2 3.72Å; R176-D210 PolarHBondContact NH2-OD2 3.48Å; R176-D210 VanDerWaalsContact NH2-OD2 3.16Å; R176-D233 VanDerWaalsContact CZ-O 3.26Å; R176-D233 PolarHBondContact NH1-O 2.79Å; R176-D233 IonicContact NH1-OD2 2.89Å; R176-D233 PolarHBondContact NH2-O 2.78Å; R176-D233 IonicContact NH2-OD2 3.23Å; R176-P235 HydrophobicContact CG-CB 4.34Å | ||
| 177 | I | 98.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 131.8 | -177.2 | -49.2 | 166.8 | 0 | 0 | 0 | 107.8 | I166 Y169 V174 F196 V205 A237 | I166-I177 HydrophobicContact CB-CD1 4.46Å; I166-I177 HydrophobicContact CG1-CD1 4.27Å; I166-I177 HydrophobicContact CG2-CD1 4.4Å; Y169-I177 HydrophobicContact CD2-CD1 4.06Å; Y169-I177 HydrophobicContact CD2-CG1 4.31Å; Y169-I177 HydrophobicContact CD2-CG2 3.97Å; Y169-I177 HydrophobicContact CE2-CG2 4.26Å; Y169-I177 HydrophobicContact CG-CD1 4.17Å; Y169-I177 HydrophobicContact CG-CG1 4.37Å; V174-I177 HydrophobicContact CG1-CG1 3.81Å; I177-F196 HydrophobicContact CB-CE2 4.11Å; I177-F196 HydrophobicContact CB-CZ 4.06Å; I177-F196 HydrophobicContact CG2-CE2 3.68Å; I177-F196 HydrophobicContact CG2-CZ 3.89Å; I177-F196 WeakPolarHBondContact O-CZ 3.37Å; I177-V205 HydrophobicContact CD1-CB 4.25Å; I177-V205 HydrophobicContact CD1-CG2 3.8Å; I177-V205 HydrophobicContact CG1-CB 4.41Å; I177-V205 HydrophobicContact CG1-CG2 4.42Å; I177-V205 PolarHBondContact N-O 3.05Å; I177-A237 CarbonylContact C-O 3.59Å; I177-A237 WeakPolarHBondContact CA-O 3.16Å; I177-A237 HydrophobicContact CG1-CB 4.47Å; I177-A237 HydrophobicContact CG2-CB 4.43Å |
| 178 | G | 98.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 159.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D210 A237 L238 F239 | G178-D210 CarbonylContact C-O 3.57Å; G178-D210 VanDerWaalsContact CA-O 3.28Å; G178-D210 WeakPolarHBondContact CA-O 3.4Å; G178-A237 PolarHBondContact N-O 3.39Å; G178-L238 CarbonylContact O-C 3.58Å; G178-L238 WeakPolarHBondContact O-CA 3.38Å; G178-F239 PolarHBondContact O-N 3.08Å |
| 179 | F | 98.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 132.3 | 175.4 | 179.2 | -97.1 | 0 | 0 | 0 | 111.5 | G181 R192 E193 F196 D210 I211 W212 F239 A241 | F179-G181 VanDerWaalsContact CE1-CA 3.43Å; F179-R192 HydrophobicContact CE2-CB 4.27Å; F179-R192 HydrophobicContact CZ-CB 4.28Å; F179-E193 HydrophobicContact CD1-CB 4.19Å; F179-E193 HydrophobicContact CD1-CG 3.83Å; F179-E193 HydrophobicContact CE1-CB 3.46Å; F179-E193 VanDerWaalsContact CE1-CB 3.46Å; F179-E193 HydrophobicContact CE1-CG 3.57Å; F179-E193 HydrophobicContact CZ-CB 3.78Å; F179-E193 HydrophobicContact CZ-CG 4.34Å; F179-F196 HydrophobicContact CB-CD1 3.58Å; F179-F196 HydrophobicContact CB-CE1 3.35Å; F179-F196 HydrophobicContact CB-CE2 4.45Å; F179-F196 HydrophobicContact CB-CG 4.23Å; F179-F196 HydrophobicContact CB-CZ 3.81Å; F179-F196 HydrophobicContact CD2-CB 4.43Å; F179-F196 HydrophobicContact CD2-CD1 4.27Å; F179-F196 HydrophobicContact CD2-CD2 4.5Å; F179-F196 HydrophobicContact CD2-CG 4.15Å; F179-F196 HydrophobicContact CG-CD1 4.05Å; F179-F196 HydrophobicContact CG-CE1 4.3Å; F179-F196 HydrophobicContact CG-CG 4.4Å; F179-D210 PolarHBondContact N-O 2.9Å; F179-I211 HydrophobicContact CB-CG1 4.5Å; F179-I211 HydrophobicContact CD1-CG2 4.04Å; F179-W212 PolarHBondContact O-N 3.26Å; F179-F239 VanDerWaalsContact CA-O 3.27Å; F179-F239 WeakPolarHBondContact CA-O 3.39Å; F179-F239 HydrophobicContact CD2-CB 4.17Å; F179-F239 AromaticContact CD2-CD1 3.39Å; F179-F239 HydrophobicContact CD2-CD1 3.39Å; F179-F239 AromaticContact CD2-CE1 3.88Å; F179-F239 HydrophobicContact CD2-CE1 3.88Å; F179-F239 AromaticContact CD2-CG 3.9Å; F179-F239 HydrophobicContact CD2-CG 3.9Å; F179-F239 WeakPolarHBondContact CD2-O 3.32Å; F179-F239 AromaticContact CE2-CD1 3.57Å; F179-F239 HydrophobicContact CE2-CD1 3.57Å; F179-F239 AromaticContact CE2-CE1 3.53Å; F179-F239 HydrophobicContact CE2-CE1 3.53Å; F179-F239 HydrophobicContact CE2-CG 4.2Å; F179-F239 HydrophobicContact CE2-CZ 4.16Å; F179-A241 HydrophobicContact CE2-CB 4.23Å; F179-A241 HydrophobicContact CZ-CB 3.9Å |
| 180 | I | 98.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 113.6 | 170 | -57 | -178.7 | 0 | 0 | 0 | 107.8 | W212 L224 A225 M228 L238 F239 V240 A241 I245 V249 | I180-W212 WeakPolarHBondContact CA-O 3.32Å; I180-W212 HydrophobicContact CG1-CB 4.38Å; I180-W212 HydrophobicContact CG1-CE3 4.19Å; I180-L224 HydrophobicContact CG2-CB 3.93Å; I180-L224 HydrophobicContact CG2-CD1 3.79Å; I180-A225 HydrophobicContact CD1-CB 4.16Å; I180-M228 HydrophobicContact CD1-CE 4.37Å; I180-M228 HydrophobicContact CD1-SD 4.33Å; I180-L238 HydrophobicContact CD1-CD1 4.34Å; I180-F239 PolarHBondContact N-O 3.24Å; I180-V240 HydrophobicContact CB-CG1 4.46Å; I180-V240 CarbonylContact O-C 3.53Å; I180-V240 WeakPolarHBondContact O-CA 3.21Å; I180-A241 PolarHBondContact O-N 3.21Å; I180-I245 HydrophobicContact CG2-CG2 3.72Å; I180-V249 HydrophobicContact CB-CG2 4.43Å; I180-V249 HydrophobicContact CD1-CG1 4.12Å; I180-V249 HydrophobicContact CD1-CG2 3.71Å; I180-V249 HydrophobicContact CG2-CG2 4.13Å |
| 181 | G | 96.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 177.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | F179 W212 G214 | F179-G181 VanDerWaalsContact CE1-CA 3.43Å; G181-W212 PolarHBondContact N-O 3.4Å; G181-G214 PolarHBondContact O-N 3.28Å; G181-G214 VanDerWaalsContact O-N 3.16Å |
| 182 | G | 92 | Very high | 93 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 160.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G214 F216 | G182-G214 CarbonylContact C-O 3.59Å; G182-G214 VanDerWaalsContact C-O 3.32Å; G182-G214 WeakPolarHBondContact CA-O 3.38Å; G182-F216 VanDerWaalsContact C-CE2 3.46Å |
| 183 | E | 89.5 | Confident | 93.1 | Very high | 57 Ų | 57 | 46.9 Ų | 46.9 | 27% | 0.266 | 28% | 0.278 | S | S | . | . | trans | -126.5 | 129.7 | 167.6 | 66.2 | -173.3 | -175.7 | 0 | 0 | 110.4 | G187 R213 G214 | E183-G187 PolarHBondContact OE2-N 2.79Å; E183-R213 HydrophobicContact CB-CG 4.08Å; E183-R213 HydrophobicContact CG-CG 4.39Å; E183-R213 WeakPolarHBondContact OE2-CD 3.38Å; E183-R213 IonicContact OE2-NH1 3.46Å; E183-G214 PolarHBondContact N-O 3.23Å | ||
| 184 | D | 81.6 | Confident | 93.1 | Very high | 123 Ų | 123 | 46.3 Ų | 46.3 | 66% | 0.658 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -81.3 | -30.6 | 172.1 | -60.5 | -48.5 | 0 | 0 | 0 | 111.3 | F216 | D184-F216 WeakPolarHBondContact OD1-CD2 3.37Å; D184-F216 WeakPolarHBondContact OD1-CE2 3.3Å |
| 185 | E | 84.3 | Confident | 93.2 | Very high | 82 Ų | 82 | 44.9 Ų | 44.9 | 38% | 0.383 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -121.8 | 124.1 | 177.3 | -67.8 | 170.8 | -135.4 | 0 | 0 | 108.3 | K123 G187 K188 | K123-E185 IonicContact NZ-OE1 3.41Å; K123-E185 PolarHBondContact NZ-OE1 2.73Å; E185-G187 PolarHBondContact O-N 3.05Å; E185-K188 HydrophobicContact CB-CB 4.03Å; E185-K188 HydrophobicContact CB-CD 4.15Å; E185-K188 WeakPolarHBondContact O-CB 3.04Å; E185-K188 PolarHBondContact O-N 3.12Å; E185-K188 IonicContact OE1-NZ 2.68Å; E185-K188 PolarHBondContact OE1-NZ 3.07Å; E185-K188 VanDerWaalsContact OE2-CD 3.3Å; E185-K188 WeakPolarHBondContact OE2-CD 3.46Å; E185-K188 IonicContact OE2-NZ 3.47Å; E185-K188 PolarHBondContact OE2-NZ 3.28Å |
| 186 | P | 84.3 | Confident | 93.3 | Very high | 122 Ų | 122 | 38.7 Ų | 38.7 | 79% | 0.792 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 127.4 | -179.2 | -29.5 | 35.4 | 0 | 0 | 0 | 113.3 | K188 | P186-K188 VanDerWaalsContact C-N 3.3Å; P186-K188 PolarHBondContact O-N 3.31Å |
| 187 | G | 85.1 | Confident | 93.3 | Very high | 63 Ų | 63 | 37.7 Ų | 37.7 | 65% | 0.649 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.3 | -3.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | E183 E185 R213 | E183-G187 PolarHBondContact OE2-N 2.79Å; E185-G187 PolarHBondContact O-N 3.05Å; G187-R213 PolarHBondContact O-NH1 3.03Å |
| 188 | K | 88.6 | Confident | 93.2 | Very high | 101 Ų | 101 | 43.5 Ų | 43.5 | 44% | 0.439 | 25% | 0.247 | S | C | . | . | trans | -105.2 | 121.4 | -179.9 | -168.7 | 174.1 | 178.9 | 175.9 | 0 | 111.1 | E185 P186 | E185-K188 HydrophobicContact CB-CB 4.03Å; E185-K188 HydrophobicContact CB-CD 4.15Å; E185-K188 WeakPolarHBondContact O-CB 3.04Å; E185-K188 PolarHBondContact O-N 3.12Å; E185-K188 IonicContact OE1-NZ 2.68Å; E185-K188 PolarHBondContact OE1-NZ 3.07Å; E185-K188 VanDerWaalsContact OE2-CD 3.3Å; E185-K188 WeakPolarHBondContact OE2-CD 3.46Å; E185-K188 IonicContact OE2-NZ 3.47Å; E185-K188 PolarHBondContact OE2-NZ 3.28Å; P186-K188 VanDerWaalsContact C-N 3.3Å; P186-K188 PolarHBondContact O-N 3.31Å | ||
| 189 | A | 90.2 | Very high | 93.2 | Very high | 31 Ų | 31 | 45.5 Ų | 45.5 | 26% | 0.256 | 26% | 0.255 | S | S | . | . | trans | -64.3 | 134.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | E193 V194 | A189-E193 HydrophobicContact CB-CB 4.3Å; A189-E193 HydrophobicContact CB-CG 4.47Å; A189-V194 HydrophobicContact CB-CG2 3.71Å | ||
| 190 | D | 92.9 | Very high | 93.2 | Very high | 18 Ų | 18 | 45.5 Ų | 45.5 | 10% | 0.096 | 26% | 0.255 | C | S | . | . | trans | -63.9 | 151.9 | 165.9 | 172.3 | -90.7 | 0 | 0 | 0 | 110.7 | R192 E193 V194 F216 | D190-R192 PolarHBondContact O-N 2.94Å; D190-R192 WeakPolarHBondContact OD1-CA 3.11Å; D190-R192 WeakPolarHBondContact OD1-CB 3.04Å; D190-R192 WeakPolarHBondContact OD1-CG 3.48Å; D190-R192 IonicContact OD1-CZ 3.22Å; D190-R192 PolarHBondContact OD1-N 3.07Å; D190-R192 IonicContact OD1-NE 3.17Å; D190-R192 PolarHBondContact OD1-NE 3.43Å; D190-R192 IonicContact OD1-NH2 2.79Å; D190-R192 PolarHBondContact OD1-NH2 3.1Å; D190-R192 IonicContact OD2-CZ 3.94Å; D190-R192 IonicContact OD2-NE 3.07Å; D190-R192 IonicContact OD2-NH2 3.49Å; D190-R192 PolarHBondContact OD2-NH2 3.28Å; D190-E193 WeakPolarHBondContact O-CA 3.45Å; D190-E193 WeakPolarHBondContact O-CB 3.18Å; D190-E193 PolarHBondContact O-N 3.32Å; D190-V194 PolarHBondContact O-N 3.46Å; D190-F216 HydrophobicContact CB-CZ 4.42Å | ||
| 191 | I | 94.4 | Very high | 93.1 | Very high | 87 Ų | 87 | 52.5 Ų | 52.5 | 45% | 0.446 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.7 | -31.5 | -177.7 | -174.8 | 64.5 | 0 | 0 | 0 | 113 | L158 A159 E193 V194 A195 | L158-I191 HydrophobicContact CB-CG2 3.7Å; L158-I191 HydrophobicContact CD1-CG2 3.74Å; L158-I191 HydrophobicContact CG-CG2 4.38Å; A159-I191 HydrophobicContact CB-CG1 4.25Å; I191-E193 VanDerWaalsContact C-N 3.33Å; I191-V194 PolarHBondContact O-N 2.92Å; I191-A195 WeakPolarHBondContact O-CB 3.47Å; I191-A195 PolarHBondContact O-N 3.13Å |
| 192 | R | 96.6 | Very high | 93.2 | Very high | 21 Ų | 21 | 59 Ų | 59 | 8% | 0.079 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 175.2 | -66.6 | 164.1 | -80.5 | -145.8 | -16.5 | 110.7 | L158 S162 F179 D190 F196 F216 F239 A241 | L158-R192 HydrophobicContact CB-CG 3.88Å; L158-R192 HydrophobicContact CD2-CG 4.16Å; L158-R192 HydrophobicContact CG-CG 4.42Å; S162-R192 WeakPolarHBondContact OG-CA 3.27Å; S162-R192 WeakPolarHBondContact OG-CB 3.35Å; S162-R192 PolarHBondContact OG-O 2.82Å; F179-R192 HydrophobicContact CE2-CB 4.27Å; F179-R192 HydrophobicContact CZ-CB 4.28Å; D190-R192 PolarHBondContact O-N 2.94Å; D190-R192 WeakPolarHBondContact OD1-CA 3.11Å; D190-R192 WeakPolarHBondContact OD1-CB 3.04Å; D190-R192 WeakPolarHBondContact OD1-CG 3.48Å; D190-R192 IonicContact OD1-CZ 3.22Å; D190-R192 PolarHBondContact OD1-N 3.07Å; D190-R192 IonicContact OD1-NE 3.17Å; D190-R192 PolarHBondContact OD1-NE 3.43Å; D190-R192 IonicContact OD1-NH2 2.79Å; D190-R192 PolarHBondContact OD1-NH2 3.1Å; D190-R192 IonicContact OD2-CZ 3.94Å; D190-R192 IonicContact OD2-NE 3.07Å; D190-R192 IonicContact OD2-NH2 3.49Å; D190-R192 PolarHBondContact OD2-NH2 3.28Å; R192-F196 WeakPolarHBondContact O-CB 3.3Å; R192-F196 PolarHBondContact O-N 2.96Å; R192-F216 VanDerWaalsContact NH2-CE1 3.34Å; R192-F216 VanDerWaalsContact NH2-CZ 3.25Å; R192-F239 HydrophobicContact CB-CE1 4.04Å; R192-F239 HydrophobicContact CB-CZ 4.04Å; R192-F239 HydrophobicContact CG-CZ 4.22Å; R192-A241 PolarHBondContact NH1-O 2.93Å |
| 193 | E | 97.4 | Very high | 93.5 | Very high | 14 Ų | 14 | 63.3 Ų | 63.3 | 7% | 0.065 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.4 | -47.7 | 178.1 | -169.6 | -170.7 | 128.8 | 0 | 0 | 110.9 | F179 A189 D190 I191 A195 F196 A197 I211 R213 | F179-E193 HydrophobicContact CD1-CB 4.19Å; F179-E193 HydrophobicContact CD1-CG 3.83Å; F179-E193 HydrophobicContact CE1-CB 3.46Å; F179-E193 VanDerWaalsContact CE1-CB 3.46Å; F179-E193 HydrophobicContact CE1-CG 3.57Å; F179-E193 HydrophobicContact CZ-CB 3.78Å; F179-E193 HydrophobicContact CZ-CG 4.34Å; A189-E193 HydrophobicContact CB-CB 4.3Å; A189-E193 HydrophobicContact CB-CG 4.47Å; D190-E193 WeakPolarHBondContact O-CA 3.45Å; D190-E193 WeakPolarHBondContact O-CB 3.18Å; D190-E193 PolarHBondContact O-N 3.32Å; I191-E193 VanDerWaalsContact C-N 3.33Å; E193-A195 PolarHBondContact O-N 3.27Å; E193-F196 PolarHBondContact O-N 3.02Å; E193-A197 WeakPolarHBondContact O-CB 3.15Å; E193-A197 PolarHBondContact O-N 2.79Å; E193-I211 HydrophobicContact CG-CG2 3.77Å; E193-R213 IonicContact OE1-CZ 3.35Å; E193-R213 IonicContact OE1-NE 3.64Å; E193-R213 IonicContact OE1-NH2 2.83Å; E193-R213 PolarHBondContact OE1-NH2 3Å; E193-R213 IonicContact OE2-CZ 2.64Å; E193-R213 IonicContact OE2-NE 3.55Å; E193-R213 PolarHBondContact OE2-NE 3.02Å; E193-R213 IonicContact OE2-NH2 2.8Å; E193-R213 PolarHBondContact OE2-NH2 3.17Å |
| 194 | V | 96.9 | Very high | 93.9 | Very high | 53 Ų | 53 | 69 Ų | 69 | 32% | 0.321 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -56.6 | -52.5 | 177.9 | 176.6 | 0 | 0 | 0 | 0 | 110.1 | A189 D190 I191 F196 A197 E198 | A189-V194 HydrophobicContact CB-CG2 3.71Å; D190-V194 PolarHBondContact O-N 3.46Å; I191-V194 PolarHBondContact O-N 2.92Å; V194-F196 VanDerWaalsContact C-N 3.33Å; V194-F196 PolarHBondContact O-N 3.25Å; V194-A197 PolarHBondContact O-N 2.98Å; V194-E198 WeakPolarHBondContact O-CB 3.48Å; V194-E198 WeakPolarHBondContact O-CG 3.35Å; V194-E198 PolarHBondContact O-N 3.29Å |
| 195 | A | 97.9 | Very high | 94.7 | Very high | 6 Ų | 6 | 63.7 Ų | 63.7 | 5% | 0.05 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.3 | -38.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A159 I191 E193 Y199 | A159-A195 HydrophobicContact CB-CB 3.78Å; I191-A195 WeakPolarHBondContact O-CB 3.47Å; I191-A195 PolarHBondContact O-N 3.13Å; E193-A195 PolarHBondContact O-N 3.27Å; A195-Y199 WeakPolarHBondContact O-CB 3.09Å; A195-Y199 PolarHBondContact O-N 3.26Å |
| 196 | F | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.2 | -49.6 | 176.5 | 173.4 | -95.4 | 0 | 0 | 0 | 111.7 | I166 I177 F179 R192 E193 V194 G200 V206 I211 F239 | I166-F196 HydrophobicContact CD1-CB 4.47Å; I166-F196 HydrophobicContact CD1-CD2 3.63Å; I166-F196 HydrophobicContact CD1-CE2 4.21Å; I166-F196 HydrophobicContact CD1-CG 4.27Å; I166-F196 WeakPolarHBondContact CD1-O 3.36Å; I166-F196 HydrophobicContact CG1-CD2 3.8Å; I166-F196 HydrophobicContact CG1-CE2 4.02Å; I177-F196 HydrophobicContact CB-CE2 4.11Å; I177-F196 HydrophobicContact CB-CZ 4.06Å; I177-F196 HydrophobicContact CG2-CE2 3.68Å; I177-F196 HydrophobicContact CG2-CZ 3.89Å; I177-F196 WeakPolarHBondContact O-CZ 3.37Å; F179-F196 HydrophobicContact CB-CD1 3.58Å; F179-F196 HydrophobicContact CB-CE1 3.35Å; F179-F196 HydrophobicContact CB-CE2 4.45Å; F179-F196 HydrophobicContact CB-CG 4.23Å; F179-F196 HydrophobicContact CB-CZ 3.81Å; F179-F196 HydrophobicContact CD2-CB 4.43Å; F179-F196 HydrophobicContact CD2-CD1 4.27Å; F179-F196 HydrophobicContact CD2-CD2 4.5Å; F179-F196 HydrophobicContact CD2-CG 4.15Å; F179-F196 HydrophobicContact CG-CD1 4.05Å; F179-F196 HydrophobicContact CG-CE1 4.3Å; F179-F196 HydrophobicContact CG-CG 4.4Å; R192-F196 WeakPolarHBondContact O-CB 3.3Å; R192-F196 PolarHBondContact O-N 2.96Å; E193-F196 PolarHBondContact O-N 3.02Å; V194-F196 VanDerWaalsContact C-N 3.33Å; V194-F196 PolarHBondContact O-N 3.25Å; F196-G200 VanDerWaalsContact O-CA 3.28Å; F196-G200 WeakPolarHBondContact O-CA 3.35Å; F196-G200 PolarHBondContact O-N 3.43Å; F196-V206 HydrophobicContact CD1-CG1 4.07Å; F196-V206 HydrophobicContact CD1-CG2 4.14Å; F196-V206 HydrophobicContact CD2-CG2 4.42Å; F196-V206 HydrophobicContact CE1-CB 4.14Å; F196-V206 HydrophobicContact CE1-CG1 3.48Å; F196-V206 VanDerWaalsContact CE1-CG1 3.48Å; F196-V206 HydrophobicContact CE1-CG2 3.46Å; F196-V206 VanDerWaalsContact CE1-CG2 3.46Å; F196-V206 HydrophobicContact CE2-CG2 3.81Å; F196-V206 HydrophobicContact CZ-CB 4.37Å; F196-V206 HydrophobicContact CZ-CG1 4.15Å; F196-V206 HydrophobicContact CZ-CG2 3.3Å; F196-I211 HydrophobicContact CE1-CG1 4.33Å; F196-F239 HydrophobicContact CB-CD1 4.27Å; F196-F239 HydrophobicContact CB-CE1 4.46Å; F196-F239 HydrophobicContact CD2-CB 4.29Å; F196-F239 AromaticContact CD2-CD1 3.66Å; F196-F239 HydrophobicContact CD2-CD1 3.66Å; F196-F239 HydrophobicContact CD2-CG 4.47Å; F196-F239 HydrophobicContact CE2-CB 4.08Å; F196-F239 HydrophobicContact CE2-CD1 4.3Å; F196-F239 HydrophobicContact CG-CD1 4.18Å |
| 197 | A | 97.9 | Very high | 95.9 | Very high | 14 Ų | 14 | 60.3 Ų | 60.3 | 12% | 0.116 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.2 | -42.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E193 V194 R201 I211 | E193-A197 WeakPolarHBondContact O-CB 3.15Å; E193-A197 PolarHBondContact O-N 2.79Å; V194-A197 PolarHBondContact O-N 2.98Å; A197-R201 VanDerWaalsContact O-CB 3.26Å; A197-R201 WeakPolarHBondContact O-CB 3.4Å; A197-R201 WeakPolarHBondContact O-CG 3.36Å; A197-R201 PolarHBondContact O-N 3.32Å; A197-R201 VanDerWaalsContact O-N 3.15Å; A197-R201 PolarHBondContact O-NE 3.29Å; A197-R201 VanDerWaalsContact O-NE 3.11Å; A197-I211 HydrophobicContact CB-CD1 3.79Å |
| 198 | E | 97.9 | Very high | 96.4 | Very high | 122 Ų | 122 | 65 Ų | 65 | 57% | 0.57 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -68.1 | -53.7 | 178.8 | -71.2 | -178.2 | 168.8 | 0 | 0 | 112 | V194 L202 | V194-E198 WeakPolarHBondContact O-CB 3.48Å; V194-E198 WeakPolarHBondContact O-CG 3.35Å; V194-E198 PolarHBondContact O-N 3.29Å; E198-L202 PolarHBondContact O-N 3.38Å; E198-L202 VanDerWaalsContact O-N 3.16Å |
| 199 | Y | 98.3 | Very high | 96.7 | Very high | 42 Ų | 42 | 64.9 Ų | 64.9 | 17% | 0.165 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.8 | -39.7 | -177.8 | -172.8 | -116.7 | 0 | 0 | 0 | 111.9 | K163 I166 D167 A195 R201 L202 K203 | K163-Y199 HydrophobicContact CB-CD1 3.8Å; K163-Y199 HydrophobicContact CB-CE1 3.82Å; K163-Y199 HydrophobicContact CB-CG 4.34Å; K163-Y199 HydrophobicContact CD-CD2 4.37Å; K163-Y199 HydrophobicContact CD-CG 4.33Å; K163-Y199 HydrophobicContact CG-CD1 3.64Å; K163-Y199 HydrophobicContact CG-CD2 4.2Å; K163-Y199 HydrophobicContact CG-CE1 4.1Å; K163-Y199 HydrophobicContact CG-CG 3.69Å; I166-Y199 HydrophobicContact CB-CD1 3.97Å; I166-Y199 HydrophobicContact CB-CE1 4.16Å; I166-Y199 HydrophobicContact CD1-CD1 3.81Å; I166-Y199 HydrophobicContact CG2-CD1 3.78Å; I166-Y199 HydrophobicContact CG2-CE1 3.84Å; D167-Y199 VanDerWaalsContact CG-OH 3.32Å; D167-Y199 VanDerWaalsContact OD1-CE1 3.32Å; D167-Y199 WeakPolarHBondContact OD1-CE1 3.43Å; D167-Y199 PolarHBondContact OD1-OH 3.32Å; D167-Y199 PolarHBondContact OD2-OH 2.97Å; A195-Y199 WeakPolarHBondContact O-CB 3.09Å; A195-Y199 PolarHBondContact O-N 3.26Å; Y199-R201 PolarHBondContact O-N 2.87Å; Y199-L202 HydrophobicContact CD2-CD2 4.44Å; Y199-L202 WeakPolarHBondContact O-CB 3.3Å; Y199-L202 PolarHBondContact O-N 3.11Å; Y199-K203 HydrophobicContact CD1-CG 4.38Å; Y199-K203 HydrophobicContact CE1-CG 4.13Å; Y199-K203 HydrophobicContact CE2-CG 4.33Å; Y199-K203 WeakPolarHBondContact O-CG 3.28Å; Y199-K203 PolarHBondContact O-N 3.48Å; Y199-K203 WeakPolarHBondContact OH-CE 3.35Å; Y199-K203 PolarHBondContact OH-NZ 3.09Å |
| 200 | G | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.1 | -37.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | F196 K203 Q204 V205 V206 | F196-G200 VanDerWaalsContact O-CA 3.28Å; F196-G200 WeakPolarHBondContact O-CA 3.35Å; F196-G200 PolarHBondContact O-N 3.43Å; G200-K203 CarbonylContact O-C 3.52Å; G200-K203 PolarHBondContact O-N 3.16Å; G200-Q204 PolarHBondContact O-N 3.39Å; G200-V205 PolarHBondContact O-N 3.02Å; G200-V206 PolarHBondContact O-N 3.4Å |
| 201 | R | 97.7 | Very high | 97.3 | Very high | 147 Ų | 147 | 64.3 Ų | 64.3 | 56% | 0.555 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -66.4 | -42.1 | 171.8 | -77.4 | -174.7 | -64.5 | -174.9 | 2 | 111.8 | A197 Y199 K203 Q204 | A197-R201 VanDerWaalsContact O-CB 3.26Å; A197-R201 WeakPolarHBondContact O-CB 3.4Å; A197-R201 WeakPolarHBondContact O-CG 3.36Å; A197-R201 PolarHBondContact O-N 3.32Å; A197-R201 VanDerWaalsContact O-N 3.15Å; A197-R201 PolarHBondContact O-NE 3.29Å; A197-R201 VanDerWaalsContact O-NE 3.11Å; Y199-R201 PolarHBondContact O-N 2.87Å; R201-K203 PolarHBondContact O-N 2.74Å; R201-Q204 PolarHBondContact O-N 3.31Å |
| 202 | L | 97.8 | Very high | 97.4 | Very high | 135 Ų | 135 | 61.4 Ų | 61.4 | 71% | 0.707 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -58.6 | -37.6 | 174.2 | 179.9 | 67.2 | 0 | 0 | 0 | 111.8 | E198 Y199 Q204 | E198-L202 PolarHBondContact O-N 3.38Å; E198-L202 VanDerWaalsContact O-N 3.16Å; Y199-L202 HydrophobicContact CD2-CD2 4.44Å; Y199-L202 WeakPolarHBondContact O-CB 3.3Å; Y199-L202 PolarHBondContact O-N 3.11Å; L202-Q204 VanDerWaalsContact C-N 3.33Å |
| 203 | K | 98.1 | Very high | 97.4 | Very high | 92 Ų | 92 | 64.2 Ų | 64.2 | 40% | 0.4 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -1.4 | 176 | -64.6 | -64.1 | -171.6 | 171.6 | 0 | 114.4 | I166 I170 Y199 G200 R201 V205 | I166-K203 HydrophobicContact CG2-CG 4.43Å; I170-K203 HydrophobicContact CD1-CB 3.7Å; I170-K203 HydrophobicContact CD1-CD 4.14Å; I170-K203 HydrophobicContact CD1-CG 3.83Å; Y199-K203 HydrophobicContact CD1-CG 4.38Å; Y199-K203 HydrophobicContact CE1-CG 4.13Å; Y199-K203 HydrophobicContact CE2-CG 4.33Å; Y199-K203 WeakPolarHBondContact O-CG 3.28Å; Y199-K203 PolarHBondContact O-N 3.48Å; Y199-K203 WeakPolarHBondContact OH-CE 3.35Å; Y199-K203 PolarHBondContact OH-NZ 3.09Å; G200-K203 CarbonylContact O-C 3.52Å; G200-K203 PolarHBondContact O-N 3.16Å; R201-K203 PolarHBondContact O-N 2.74Å; K203-V205 VanDerWaalsContact C-N 3.28Å; K203-V205 HydrophobicContact CB-CG2 4.07Å; K203-V205 PolarHBondContact O-N 3.1Å |
| 204 | Q | 97.9 | Very high | 97.3 | Very high | 176 Ų | 176 | 64.3 Ų | 64.3 | 82% | 0.822 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 31.6 | -179.3 | -53.6 | -178.7 | -40.7 | 0 | 0 | 114.6 | G200 R201 L202 | G200-Q204 PolarHBondContact O-N 3.39Å; R201-Q204 PolarHBondContact O-N 3.31Å; L202-Q204 VanDerWaalsContact C-N 3.33Å |
| 205 | V | 98.2 | Very high | 97 | Very high | 12 Ų | 12 | 63.3 Ų | 63.3 | 7% | 0.073 | 30% | 0.299 | C | S | . | . | trans | -116.6 | 1.3 | 179.6 | -62.1 | 0 | 0 | 0 | 0 | 114.3 | I166 I170 N175 R176 I177 G200 K203 | I166-V205 HydrophobicContact CG2-CG2 3.96Å; I170-V205 HydrophobicContact CD1-CG1 4.31Å; I170-V205 HydrophobicContact CD1-CG2 4.19Å; I170-V205 HydrophobicContact CG1-CG1 3.94Å; I170-V205 HydrophobicContact CG1-CG2 4.31Å; N175-V205 WeakPolarHBondContact O-CA 3.39Å; R176-V205 CarbonylContact C-O 3.56Å; R176-V205 VanDerWaalsContact CA-O 3.29Å; R176-V205 WeakPolarHBondContact CA-O 3.42Å; I177-V205 HydrophobicContact CD1-CB 4.25Å; I177-V205 HydrophobicContact CD1-CG2 3.8Å; I177-V205 HydrophobicContact CG1-CB 4.41Å; I177-V205 HydrophobicContact CG1-CG2 4.42Å; I177-V205 PolarHBondContact N-O 3.05Å; G200-V205 PolarHBondContact O-N 3.02Å; K203-V205 VanDerWaalsContact C-N 3.28Å; K203-V205 HydrophobicContact CB-CG2 4.07Å; K203-V205 PolarHBondContact O-N 3.1Å | ||
| 206 | V | 97.6 | Very high | 96.7 | Very high | 12 Ų | 12 | 65.1 Ų | 65.1 | 7% | 0.073 | 31% | 0.306 | C | S | . | . | trans | -126.7 | 139.8 | 179.9 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | F196 G200 I211 | F196-V206 HydrophobicContact CD1-CG1 4.07Å; F196-V206 HydrophobicContact CD1-CG2 4.14Å; F196-V206 HydrophobicContact CD2-CG2 4.42Å; F196-V206 HydrophobicContact CE1-CB 4.14Å; F196-V206 HydrophobicContact CE1-CG1 3.48Å; F196-V206 VanDerWaalsContact CE1-CG1 3.48Å; F196-V206 HydrophobicContact CE1-CG2 3.46Å; F196-V206 VanDerWaalsContact CE1-CG2 3.46Å; F196-V206 HydrophobicContact CE2-CG2 3.81Å; F196-V206 HydrophobicContact CZ-CB 4.37Å; F196-V206 HydrophobicContact CZ-CG1 4.15Å; F196-V206 HydrophobicContact CZ-CG2 3.3Å; G200-V206 PolarHBondContact O-N 3.4Å; V206-I211 HydrophobicContact CG1-CD1 4.26Å; V206-I211 HydrophobicContact CG1-CG1 4.48Å | ||
| 207 | R | 96.8 | Very high | 96.3 | Very high | 121 Ų | 121 | 67 Ų | 67 | 46% | 0.457 | 32% | 0.319 | S | S | . | . | trans | -118.8 | 151 | 170.9 | -55 | 179.7 | -178.2 | -179.1 | 0.2 | 109.5 | E209 D210 | R207-E209 VanDerWaalsContact C-N 3.28Å; R207-E209 HydrophobicContact CB-CG 3.97Å; R207-E209 IonicContact NH1-OE1 2.97Å; R207-E209 PolarHBondContact O-N 3.48Å; R207-D210 WeakPolarHBondContact CB-OD2 3.17Å; R207-D210 PolarHBondContact O-N 3.49Å; R207-D210 VanDerWaalsContact O-N 3.09Å | ||
| 208 | E | 94.3 | Very high | 96.2 | Very high | 160 Ų | 160 | 68.6 Ų | 68.6 | 75% | 0.748 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -63.1 | -36.7 | -179.5 | -173 | 169.6 | -173.3 | 0 | 0 | 111.9 | D210 I211 | E208-D210 PolarHBondContact O-N 3.27Å; E208-D210 VanDerWaalsContact O-N 3.16Å; E208-I211 PolarHBondContact O-N 3.3Å |
| 209 | E | 95.9 | Very high | 96.1 | Very high | 99 Ų | 99 | 66.8 Ų | 66.8 | 46% | 0.463 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -67.2 | -9.5 | 175.4 | 68.4 | -132.1 | -140 | 0 | 0 | 114.8 | R207 W212 R231 | R207-E209 VanDerWaalsContact C-N 3.28Å; R207-E209 HydrophobicContact CB-CG 3.97Å; R207-E209 IonicContact NH1-OE1 2.97Å; R207-E209 PolarHBondContact O-N 3.48Å; E209-W212 WeakPolarHBondContact O-CZ2 3.19Å; E209-R231 PolarHBondContact O-NH1 3.4Å; E209-R231 IonicContact OE1-NH2 2.71Å |
| 210 | D | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -101.5 | 18.7 | -179.9 | -62.2 | -37 | 0 | 0 | 0 | 112.7 | R176 G178 F179 R207 E208 W212 R231 P235 | R176-D210 IonicContact CZ-OD1 3.5Å; R176-D210 IonicContact CZ-OD2 3.32Å; R176-D210 IonicContact NE-OD1 3.59Å; R176-D210 IonicContact NE-OD2 2.68Å; R176-D210 PolarHBondContact NE-OD2 3.23Å; R176-D210 VanDerWaalsContact NH2-CG 3.33Å; R176-D210 IonicContact NH2-OD1 3.76Å; R176-D210 PolarHBondContact NH2-OD1 3.02Å; R176-D210 IonicContact NH2-OD2 3.72Å; R176-D210 PolarHBondContact NH2-OD2 3.48Å; R176-D210 VanDerWaalsContact NH2-OD2 3.16Å; G178-D210 CarbonylContact C-O 3.57Å; G178-D210 VanDerWaalsContact CA-O 3.28Å; G178-D210 WeakPolarHBondContact CA-O 3.4Å; F179-D210 PolarHBondContact N-O 2.9Å; R207-D210 WeakPolarHBondContact CB-OD2 3.17Å; R207-D210 PolarHBondContact O-N 3.49Å; R207-D210 VanDerWaalsContact O-N 3.09Å; E208-D210 PolarHBondContact O-N 3.27Å; E208-D210 VanDerWaalsContact O-N 3.16Å; D210-W212 VanDerWaalsContact CA-CH2 3.5Å; D210-W212 HydrophobicContact CB-CH2 4.15Å; D210-W212 HydrophobicContact CB-CZ3 4.15Å; D210-W212 WeakPolarHBondContact O-CZ3 3.36Å; D210-R231 IonicContact OD1-NH1 3.63Å; D210-P235 HydrophobicContact CB-CG 4.3Å |
| 211 | I | 97.6 | Very high | 95.9 | Very high | 37 Ų | 37 | 65.8 Ų | 65.8 | 19% | 0.19 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 116.7 | 179 | -58.7 | 179.3 | 0 | 0 | 0 | 108.2 | F179 E193 F196 A197 V206 E208 | F179-I211 HydrophobicContact CB-CG1 4.5Å; F179-I211 HydrophobicContact CD1-CG2 4.04Å; E193-I211 HydrophobicContact CG-CG2 3.77Å; F196-I211 HydrophobicContact CE1-CG1 4.33Å; A197-I211 HydrophobicContact CB-CD1 3.79Å; V206-I211 HydrophobicContact CG1-CD1 4.26Å; V206-I211 HydrophobicContact CG1-CG1 4.48Å; E208-I211 PolarHBondContact O-N 3.3Å |
| 212 | W | 97.4 | Very high | 96 | Very high | 26 Ų | 26 | 60.7 Ų | 60.7 | 10% | 0.098 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 132.9 | 176.9 | -63.8 | -88.4 | 0 | 0 | 0 | 110.2 | F179 I180 G181 E209 D210 L224 M228 P235 | F179-W212 PolarHBondContact O-N 3.26Å; I180-W212 WeakPolarHBondContact CA-O 3.32Å; I180-W212 HydrophobicContact CG1-CB 4.38Å; I180-W212 HydrophobicContact CG1-CE3 4.19Å; G181-W212 PolarHBondContact N-O 3.4Å; E209-W212 WeakPolarHBondContact O-CZ2 3.19Å; D210-W212 VanDerWaalsContact CA-CH2 3.5Å; D210-W212 HydrophobicContact CB-CH2 4.15Å; D210-W212 HydrophobicContact CB-CZ3 4.15Å; D210-W212 WeakPolarHBondContact O-CZ3 3.36Å; W212-L224 HydrophobicContact CB-CB 4.17Å; W212-L224 HydrophobicContact CB-CD2 4.2Å; W212-M228 HydrophobicContact CD2-CB 3.97Å; W212-M228 HydrophobicContact CD2-CG 4.43Å; W212-M228 HydrophobicContact CE3-CB 4.23Å; W212-M228 HydrophobicContact CE3-CG 4.26Å; W212-M228 HydrophobicContact CE3-SD 4.06Å; W212-M228 HydrophobicContact CH2-CB 3.9Å; W212-M228 HydrophobicContact CH2-CG 3.37Å; W212-M228 HydrophobicContact CH2-SD 3.82Å; W212-M228 HydrophobicContact CZ2-CB 3.56Å; W212-M228 HydrophobicContact CZ2-CG 3.53Å; W212-M228 HydrophobicContact CZ2-SD 4.46Å; W212-M228 HydrophobicContact CZ3-CB 4.2Å; W212-M228 HydrophobicContact CZ3-CG 3.75Å; W212-M228 HydrophobicContact CZ3-SD 3.57Å; W212-M228 VanDerWaalsContact CZ3-SD 3.57Å; W212-P235 HydrophobicContact CH2-CG 3.97Å; W212-P235 HydrophobicContact CZ3-CG 3.94Å |
| 213 | R | 96.2 | Very high | 96 | Very high | 81 Ų | 81 | 58.7 Ų | 58.7 | 31% | 0.306 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 138.5 | -174.6 | -168.2 | -167.5 | -62.4 | 165.3 | 3.2 | 111 | E183 G187 E193 L224 | E183-R213 HydrophobicContact CB-CG 4.08Å; E183-R213 HydrophobicContact CG-CG 4.39Å; E183-R213 WeakPolarHBondContact OE2-CD 3.38Å; E183-R213 IonicContact OE2-NH1 3.46Å; G187-R213 PolarHBondContact O-NH1 3.03Å; E193-R213 IonicContact OE1-CZ 3.35Å; E193-R213 IonicContact OE1-NE 3.64Å; E193-R213 IonicContact OE1-NH2 2.83Å; E193-R213 PolarHBondContact OE1-NH2 3Å; E193-R213 IonicContact OE2-CZ 2.64Å; E193-R213 IonicContact OE2-NE 3.55Å; E193-R213 PolarHBondContact OE2-NE 3.02Å; E193-R213 IonicContact OE2-NH2 2.8Å; E193-R213 PolarHBondContact OE2-NH2 3.17Å; R213-L224 WeakPolarHBondContact O-CD2 3.23Å |
| 214 | G | 94.9 | Very high | 96 | Very high | 15 Ų | 15 | 54.8 Ų | 54.8 | 16% | 0.155 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | -144.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | G181 G182 E183 S220 | G181-G214 PolarHBondContact O-N 3.28Å; G181-G214 VanDerWaalsContact O-N 3.16Å; G182-G214 CarbonylContact C-O 3.59Å; G182-G214 VanDerWaalsContact C-O 3.32Å; G182-G214 WeakPolarHBondContact CA-O 3.38Å; E183-G214 PolarHBondContact N-O 3.23Å; G214-S220 WeakPolarHBondContact CA-OG 3.31Å |
| 215 | G | 91.5 | Very high | 96 | Very high | 32 Ų | 32 | 46.4 Ų | 46.4 | 33% | 0.33 | 24% | 0.242 | S | C | . | . | trans | -84.1 | 160.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | S217 S220 | G215-S217 PolarHBondContact O-N 2.9Å; G215-S220 PolarHBondContact N-OG 2.8Å; G215-S220 WeakPolarHBondContact O-CB 3.41Å; G215-S220 PolarHBondContact O-OG 3Å | ||
| 216 | F | 90.2 | Very high | 96 | Very high | 45 Ų | 45 | 50.3 Ų | 50.3 | 20% | 0.197 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -75.8 | 59.1 | 171.7 | -75.1 | -75.9 | 0 | 0 | 0 | 112.8 | G182 D184 D190 R192 A241 I245 | G182-F216 VanDerWaalsContact C-CE2 3.46Å; D184-F216 WeakPolarHBondContact OD1-CD2 3.37Å; D184-F216 WeakPolarHBondContact OD1-CE2 3.3Å; D190-F216 HydrophobicContact CB-CZ 4.42Å; R192-F216 VanDerWaalsContact NH2-CE1 3.34Å; R192-F216 VanDerWaalsContact NH2-CZ 3.25Å; F216-A241 HydrophobicContact CE1-CB 4.12Å; F216-I245 HydrophobicContact CD1-CD1 3.72Å; F216-I245 HydrophobicContact CE1-CD1 4.17Å |
| 217 | S | 91.5 | Very high | 96.1 | Very high | 40 Ų | 40 | 55.1 Ų | 55.1 | 28% | 0.28 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -141.3 | 157.1 | -178.5 | 73.8 | 0 | 0 | 0 | 0 | 112.8 | G215 S219 S220 G221 | G215-S217 PolarHBondContact O-N 2.9Å; S217-S219 VanDerWaalsContact C-N 3.3Å; S217-S219 PolarHBondContact O-N 3.48Å; S217-S219 PolarHBondContact OG-OG 2.8Å; S217-S220 PolarHBondContact O-N 3.33Å; S217-S220 WeakPolarHBondContact OG-CB 3.36Å; S217-S220 PolarHBondContact OG-N 3.42Å; S217-S220 VanDerWaalsContact OG-N 3.1Å; S217-G221 PolarHBondContact O-N 3.44Å |
| 218 | S | 94.5 | Very high | 96.1 | Very high | 46 Ų | 46 | 49.3 Ų | 49.3 | 32% | 0.322 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.3 | -34.3 | 174.3 | -49.7 | 0 | 0 | 0 | 0 | 112.5 | G221 Y222 S244 G248 | S218-G221 PolarHBondContact O-N 3.46Å; S218-Y222 WeakPolarHBondContact O-CB 3.4Å; S218-Y222 PolarHBondContact O-N 2.98Å; S218-S244 WeakPolarHBondContact CA-O 3.47Å; S218-S244 VanDerWaalsContact CB-O 3.29Å; S218-S244 WeakPolarHBondContact CB-O 3.35Å; S218-S244 PolarHBondContact N-O 2.89Å; S218-S244 PolarHBondContact OG-O 3.14Å; S218-G248 WeakPolarHBondContact O-CA 3.45Å |
| 219 | S | 95.2 | Very high | 96.3 | Very high | 85 Ų | 85 | 42 Ų | 42 | 59% | 0.594 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -64.5 | -42.8 | 175.6 | 52.9 | 0 | 0 | 0 | 0 | 111.5 | S217 Y222 E223 | S217-S219 VanDerWaalsContact C-N 3.3Å; S217-S219 PolarHBondContact O-N 3.48Å; S217-S219 PolarHBondContact OG-OG 2.8Å; S219-Y222 PolarHBondContact O-N 2.93Å; S219-E223 PolarHBondContact O-N 2.84Å; S219-E223 VanDerWaalsContact O-N 3.14Å |
| 220 | S | 95.7 | Very high | 96.4 | Very high | 20 Ų | 20 | 41.3 Ų | 41.3 | 14% | 0.14 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.9 | -47.9 | 174.4 | -174.9 | 0 | 0 | 0 | 0 | 111.4 | G214 G215 S217 Y222 E223 L224 | G214-S220 WeakPolarHBondContact CA-OG 3.31Å; G215-S220 PolarHBondContact N-OG 2.8Å; G215-S220 WeakPolarHBondContact O-CB 3.41Å; G215-S220 PolarHBondContact O-OG 3Å; S217-S220 PolarHBondContact O-N 3.33Å; S217-S220 WeakPolarHBondContact OG-CB 3.36Å; S217-S220 PolarHBondContact OG-N 3.42Å; S217-S220 VanDerWaalsContact OG-N 3.1Å; S220-Y222 VanDerWaalsContact C-N 3.27Å; S220-Y222 PolarHBondContact O-N 2.93Å; S220-E223 PolarHBondContact O-N 3.26Å; S220-L224 WeakPolarHBondContact O-CB 3.47Å; S220-L224 VanDerWaalsContact O-CG 3.28Å; S220-L224 WeakPolarHBondContact O-CG 3.14Å; S220-L224 PolarHBondContact O-N 3.41Å |
| 221 | G | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.5 | -38.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S217 S218 A225 | S217-G221 PolarHBondContact O-N 3.44Å; S218-G221 PolarHBondContact O-N 3.46Å; G221-A225 WeakPolarHBondContact O-CB 3.5Å; G221-A225 PolarHBondContact O-N 3.15Å |
| 222 | Y | 98.4 | Very high | 96 | Very high | 41 Ų | 41 | 52 Ų | 52 | 16% | 0.161 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.2 | -48.4 | 175.5 | 170.8 | -105.7 | 0 | 0 | 0 | 112.5 | S218 S219 S220 A225 K226 G248 R251 A252 E255 | S218-Y222 WeakPolarHBondContact O-CB 3.4Å; S218-Y222 PolarHBondContact O-N 2.98Å; S219-Y222 PolarHBondContact O-N 2.93Å; S220-Y222 VanDerWaalsContact C-N 3.27Å; S220-Y222 PolarHBondContact O-N 2.93Å; Y222-A225 PolarHBondContact O-N 2.96Å; Y222-K226 HydrophobicContact CD1-CD 4.27Å; Y222-K226 HydrophobicContact CD2-CD 4.4Å; Y222-K226 HydrophobicContact CE1-CD 3.68Å; Y222-K226 HydrophobicContact CE2-CD 3.8Å; Y222-K226 HydrophobicContact CE2-CG 4.33Å; Y222-K226 VanDerWaalsContact CZ-CD 3.42Å; Y222-K226 WeakPolarHBondContact O-CG 3.35Å; Y222-K226 PolarHBondContact O-N 3.28Å; Y222-G248 WeakPolarHBondContact CA-O 3.49Å; Y222-R251 HydrophobicContact CD2-CB 4.23Å; Y222-R251 HydrophobicContact CD2-CG 4.02Å; Y222-R251 HydrophobicContact CE2-CG 4.11Å; Y222-A252 HydrophobicContact CD2-CB 3.8Å; Y222-A252 HydrophobicContact CE2-CB 4.2Å; Y222-E255 WeakPolarHBondContact CE2-OE2 3.49Å; Y222-E255 PolarHBondContact OH-OE2 3.3Å |
| 223 | E | 98.6 | Very high | 95.9 | Very high | 92 Ų | 92 | 54.4 Ų | 54.4 | 43% | 0.43 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.9 | -42.1 | 179.8 | -67.5 | -56 | 147.4 | 0 | 0 | 112.4 | S219 S220 A225 K226 Q227 | S219-E223 PolarHBondContact O-N 2.84Å; S219-E223 VanDerWaalsContact O-N 3.14Å; S220-E223 PolarHBondContact O-N 3.26Å; E223-A225 PolarHBondContact O-N 2.85Å; E223-K226 WeakPolarHBondContact O-CB 3.5Å; E223-K226 PolarHBondContact O-N 2.78Å; E223-Q227 WeakPolarHBondContact O-CG 3.49Å; E223-Q227 PolarHBondContact O-N 2.8Å |
| 224 | L | 98.3 | Very high | 95.9 | Very high | 11 Ų | 11 | 51.8 Ų | 51.8 | 6% | 0.058 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 176.4 | -65.5 | 173 | 0 | 0 | 0 | 111.7 | I180 W212 R213 S220 K226 Q227 M228 | I180-L224 HydrophobicContact CG2-CB 3.93Å; I180-L224 HydrophobicContact CG2-CD1 3.79Å; W212-L224 HydrophobicContact CB-CB 4.17Å; W212-L224 HydrophobicContact CB-CD2 4.2Å; R213-L224 WeakPolarHBondContact O-CD2 3.23Å; S220-L224 WeakPolarHBondContact O-CB 3.47Å; S220-L224 VanDerWaalsContact O-CG 3.28Å; S220-L224 WeakPolarHBondContact O-CG 3.14Å; S220-L224 PolarHBondContact O-N 3.41Å; L224-K226 VanDerWaalsContact C-N 3.33Å; L224-K226 PolarHBondContact O-N 3.18Å; L224-Q227 WeakPolarHBondContact O-CB 3.06Å; L224-Q227 PolarHBondContact O-N 2.87Å; L224-M228 PolarHBondContact O-N 2.82Å |
| 225 | A | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.2 | -37.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I180 G221 Y222 E223 M228 L229 V249 A252 | I180-A225 HydrophobicContact CD1-CB 4.16Å; G221-A225 WeakPolarHBondContact O-CB 3.5Å; G221-A225 PolarHBondContact O-N 3.15Å; Y222-A225 PolarHBondContact O-N 2.96Å; E223-A225 PolarHBondContact O-N 2.85Å; A225-M228 PolarHBondContact O-N 3.27Å; A225-L229 VanDerWaalsContact O-CB 3.3Å; A225-L229 WeakPolarHBondContact O-CB 3.37Å; A225-L229 WeakPolarHBondContact O-CG 3.5Å; A225-L229 PolarHBondContact O-N 3.08Å; A225-V249 HydrophobicContact CB-CB 4.24Å; A225-V249 HydrophobicContact CB-CG1 4.11Å; A225-V249 HydrophobicContact CB-CG2 4.18Å; A225-A252 HydrophobicContact CB-CB 3.52Å |
| 226 | K | 98.5 | Very high | 96.3 | Very high | 93 Ų | 93 | 54.5 Ų | 54.5 | 40% | 0.404 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 172.9 | -77.4 | 178.8 | 62.9 | -175.4 | 0 | 112.6 | Y222 E223 L224 L229 A230 A252 | Y222-K226 HydrophobicContact CD1-CD 4.27Å; Y222-K226 HydrophobicContact CD2-CD 4.4Å; Y222-K226 HydrophobicContact CE1-CD 3.68Å; Y222-K226 HydrophobicContact CE2-CD 3.8Å; Y222-K226 HydrophobicContact CE2-CG 4.33Å; Y222-K226 VanDerWaalsContact CZ-CD 3.42Å; Y222-K226 WeakPolarHBondContact O-CG 3.35Å; Y222-K226 PolarHBondContact O-N 3.28Å; E223-K226 WeakPolarHBondContact O-CB 3.5Å; E223-K226 PolarHBondContact O-N 2.78Å; L224-K226 VanDerWaalsContact C-N 3.33Å; L224-K226 PolarHBondContact O-N 3.18Å; K226-L229 PolarHBondContact O-N 3.18Å; K226-A230 WeakPolarHBondContact O-CB 3.41Å; K226-A230 PolarHBondContact O-N 2.68Å; K226-A252 HydrophobicContact CG-CB 4.04Å |
| 227 | Q | 98 | Very high | 96.7 | Very high | 113 Ų | 113 | 52.3 Ų | 52.3 | 53% | 0.528 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 175.4 | -68.1 | 171.1 | 25.5 | 0 | 0 | 111.4 | E223 L224 A230 | E223-Q227 WeakPolarHBondContact O-CG 3.49Å; E223-Q227 PolarHBondContact O-N 2.8Å; L224-Q227 WeakPolarHBondContact O-CB 3.06Å; L224-Q227 PolarHBondContact O-N 2.87Å; Q227-A230 PolarHBondContact O-N 3.32Å |
| 228 | M | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59 | -51.4 | 173.8 | 172.4 | -174.8 | 77.7 | 0 | 0 | 111.9 | I180 W212 L224 A225 A230 R231 P235 L238 I264 | I180-M228 HydrophobicContact CD1-CE 4.37Å; I180-M228 HydrophobicContact CD1-SD 4.33Å; W212-M228 HydrophobicContact CD2-CB 3.97Å; W212-M228 HydrophobicContact CD2-CG 4.43Å; W212-M228 HydrophobicContact CE3-CB 4.23Å; W212-M228 HydrophobicContact CE3-CG 4.26Å; W212-M228 HydrophobicContact CE3-SD 4.06Å; W212-M228 HydrophobicContact CH2-CB 3.9Å; W212-M228 HydrophobicContact CH2-CG 3.37Å; W212-M228 HydrophobicContact CH2-SD 3.82Å; W212-M228 HydrophobicContact CZ2-CB 3.56Å; W212-M228 HydrophobicContact CZ2-CG 3.53Å; W212-M228 HydrophobicContact CZ2-SD 4.46Å; W212-M228 HydrophobicContact CZ3-CB 4.2Å; W212-M228 HydrophobicContact CZ3-CG 3.75Å; W212-M228 HydrophobicContact CZ3-SD 3.57Å; W212-M228 VanDerWaalsContact CZ3-SD 3.57Å; L224-M228 PolarHBondContact O-N 2.82Å; A225-M228 PolarHBondContact O-N 3.27Å; M228-A230 PolarHBondContact O-N 2.76Å; M228-R231 WeakPolarHBondContact O-CB 3.43Å; M228-R231 PolarHBondContact O-N 2.74Å; M228-R231 VanDerWaalsContact O-N 3.12Å; M228-P235 HydrophobicContact SD-CG 4.17Å; M228-L238 HydrophobicContact CE-CD1 3.78Å; M228-L238 HydrophobicContact CE-CD2 4.15Å; M228-L238 HydrophobicContact SD-CD1 4.28Å; M228-L238 HydrophobicContact SD-CD2 3.57Å; M228-L238 VanDerWaalsContact SD-CD2 3.57Å; M228-I264 HydrophobicContact CE-CD1 4.02Å |
| 229 | L | 98 | Very high | 97.2 | Very high | 7 Ų | 7 | 48.2 Ų | 48.2 | 4% | 0.037 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72.7 | -9 | -175 | -67.3 | 171.7 | 0 | 0 | 0 | 113.9 | A225 K226 R231 Y234 A252 I253 R256 L258 | A225-L229 VanDerWaalsContact O-CB 3.3Å; A225-L229 WeakPolarHBondContact O-CB 3.37Å; A225-L229 WeakPolarHBondContact O-CG 3.5Å; A225-L229 PolarHBondContact O-N 3.08Å; K226-L229 PolarHBondContact O-N 3.18Å; L229-R231 VanDerWaalsContact C-N 3.29Å; L229-Y234 HydrophobicContact CD2-CD1 4.33Å; L229-Y234 HydrophobicContact CD2-CD2 4.02Å; L229-Y234 HydrophobicContact CD2-CE1 4.31Å; L229-Y234 HydrophobicContact CD2-CE2 4Å; L229-Y234 HydrophobicContact CD2-CG 4.2Å; L229-A252 HydrophobicContact CD1-CB 4.31Å; L229-I253 HydrophobicContact CD1-CG1 3.99Å; L229-R256 HydrophobicContact CB-CG 4.44Å; L229-R256 HydrophobicContact CD1-CB 4.1Å; L229-R256 HydrophobicContact CD1-CG 4.41Å; L229-L258 HydrophobicContact CD2-CD1 3.71Å |
| 230 | A | 97 | Very high | 97.4 | Very high | 84 Ų | 84 | 44.2 Ų | 44.2 | 69% | 0.694 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -22.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K226 Q227 M228 | K226-A230 WeakPolarHBondContact O-CB 3.41Å; K226-A230 PolarHBondContact O-N 2.68Å; Q227-A230 PolarHBondContact O-N 3.32Å; M228-A230 PolarHBondContact O-N 2.76Å |
| 231 | R | 96 | Very high | 97.5 | Very high | 65 Ų | 65 | 43.2 Ų | 43.2 | 25% | 0.245 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -76.1 | 147.6 | 170.3 | -63.4 | 172 | 56.7 | 178.2 | 0.1 | 109.8 | E209 D210 M228 L229 D233 Y234 | E209-R231 PolarHBondContact O-NH1 3.4Å; E209-R231 IonicContact OE1-NH2 2.71Å; D210-R231 IonicContact OD1-NH1 3.63Å; M228-R231 WeakPolarHBondContact O-CB 3.43Å; M228-R231 PolarHBondContact O-N 2.74Å; M228-R231 VanDerWaalsContact O-N 3.12Å; L229-R231 VanDerWaalsContact C-N 3.29Å; R231-D233 IonicContact CZ-OD1 3.16Å; R231-D233 IonicContact NE-OD1 3.27Å; R231-D233 PolarHBondContact NE-OD1 3.42Å; R231-D233 VanDerWaalsContact NE-OD1 3.07Å; R231-D233 IonicContact NH2-OD1 3.71Å; R231-D233 PolarHBondContact NH2-OD1 3.04Å; R231-D233 IonicContact NH2-OD2 2.71Å; R231-D233 PolarHBondContact NH2-OD2 3.17Å; R231-Y234 VanDerWaalsContact O-CD1 3.32Å; R231-Y234 WeakPolarHBondContact O-CD1 3.34Å |
| 232 | E | 91.3 | Very high | 97.4 | Very high | 195 Ų | 195 | 43.3 Ų | 43.3 | 91% | 0.911 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -76 | -29.3 | 171.9 | -66.5 | -170.7 | 165.8 | 0 | 0 | 112 | ||
| 233 | D | 94.5 | Very high | 97.3 | Very high | 78 Ų | 78 | 41.4 Ų | 41.4 | 42% | 0.417 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -102.6 | 39.3 | -170.7 | 76.2 | -42.7 | 0 | 0 | 0 | 113.6 | R176 R231 | R176-D233 VanDerWaalsContact CZ-O 3.26Å; R176-D233 PolarHBondContact NH1-O 2.79Å; R176-D233 IonicContact NH1-OD2 2.89Å; R176-D233 PolarHBondContact NH2-O 2.78Å; R176-D233 IonicContact NH2-OD2 3.23Å; R231-D233 IonicContact CZ-OD1 3.16Å; R231-D233 IonicContact NE-OD1 3.27Å; R231-D233 PolarHBondContact NE-OD1 3.42Å; R231-D233 VanDerWaalsContact NE-OD1 3.07Å; R231-D233 IonicContact NH2-OD1 3.71Å; R231-D233 PolarHBondContact NH2-OD1 3.04Å; R231-D233 IonicContact NH2-OD2 2.71Å; R231-D233 PolarHBondContact NH2-OD2 3.17Å |
| 234 | Y | 96.7 | Very high | 97.1 | Very high | 25 Ų | 25 | 37.2 Ų | 37.2 | 10% | 0.098 | 19% | 0.186 | C | C | . | . | trans | -71.6 | 153.3 | -179.2 | 60.1 | -91.2 | 0 | 0 | 0 | 113.6 | L229 R231 K236 L258 I264 | L229-Y234 HydrophobicContact CD2-CD1 4.33Å; L229-Y234 HydrophobicContact CD2-CD2 4.02Å; L229-Y234 HydrophobicContact CD2-CE1 4.31Å; L229-Y234 HydrophobicContact CD2-CE2 4Å; L229-Y234 HydrophobicContact CD2-CG 4.2Å; R231-Y234 VanDerWaalsContact O-CD1 3.32Å; R231-Y234 WeakPolarHBondContact O-CD1 3.34Å; Y234-K236 HydrophobicContact CD2-CD 4.3Å; Y234-K236 HydrophobicContact CE2-CD 3.88Å; Y234-K236 PolarHBondContact OH-NZ 3.07Å; Y234-L258 HydrophobicContact CE2-CD1 4.08Å; Y234-L258 WeakPolarHBondContact OH-CD1 3.27Å; Y234-L258 WeakPolarHBondContact OH-CD2 3.39Å; Y234-I264 HydrophobicContact CD2-CD1 4.23Å; Y234-I264 HydrophobicContact CE2-CD1 4.31Å | ||
| 235 | P | 97.7 | Very high | 97 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | trans | -65.3 | 142.6 | 175.3 | 26.1 | -33.7 | 0 | 0 | 0 | 112.3 | R176 D210 W212 M228 L238 | R176-P235 HydrophobicContact CG-CB 4.34Å; D210-P235 HydrophobicContact CB-CG 4.3Å; W212-P235 HydrophobicContact CH2-CG 3.97Å; W212-P235 HydrophobicContact CZ3-CG 3.94Å; M228-P235 HydrophobicContact SD-CG 4.17Å; P235-L238 HydrophobicContact CG-CD2 3.96Å | ||
| 236 | K | 97.5 | Very high | 97 | Very high | 103 Ų | 103 | 36.7 Ų | 36.7 | 45% | 0.448 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -94.7 | -0 | -177.2 | -52.8 | -66.1 | 173.8 | 178.4 | 0 | 113.6 | Y234 D263 I264 S265 | Y234-K236 HydrophobicContact CD2-CD 4.3Å; Y234-K236 HydrophobicContact CE2-CD 3.88Å; Y234-K236 PolarHBondContact OH-NZ 3.07Å; K236-D263 WeakPolarHBondContact CD-O 3.31Å; K236-I264 WeakPolarHBondContact O-CA 3.27Å; K236-S265 PolarHBondContact O-N 2.92Å; K236-S265 PolarHBondContact O-OG 3.14Å |
| 237 | A | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 133.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | Y169 V174 I177 G178 S265 | Y169-A237 HydrophobicContact CD1-CB 3.75Å; Y169-A237 HydrophobicContact CD2-CB 4.34Å; Y169-A237 HydrophobicContact CE1-CB 3.63Å; Y169-A237 HydrophobicContact CE2-CB 4.22Å; Y169-A237 HydrophobicContact CG-CB 4.12Å; V174-A237 HydrophobicContact CG1-CB 3.61Å; V174-A237 HydrophobicContact CG2-CB 4.22Å; I177-A237 CarbonylContact C-O 3.59Å; I177-A237 WeakPolarHBondContact CA-O 3.16Å; I177-A237 HydrophobicContact CG1-CB 4.47Å; I177-A237 HydrophobicContact CG2-CB 4.43Å; G178-A237 PolarHBondContact N-O 3.39Å; A237-S265 CarbonylContact C-O 3.48Å; A237-S265 WeakPolarHBondContact CA-O 3.28Å |
| 238 | L | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 132.1 | -177.4 | -58.2 | 176.6 | 0 | 0 | 0 | 111.3 | Y169 G178 I180 M228 P235 V240 V249 I253 I264 S265 L266 I267 | Y169-L238 PolarHBondContact OH-O 2.58Å; Y169-L238 VanDerWaalsContact OH-O 3.13Å; G178-L238 CarbonylContact O-C 3.58Å; G178-L238 WeakPolarHBondContact O-CA 3.38Å; I180-L238 HydrophobicContact CD1-CD1 4.34Å; M228-L238 HydrophobicContact CE-CD1 3.78Å; M228-L238 HydrophobicContact CE-CD2 4.15Å; M228-L238 HydrophobicContact SD-CD1 4.28Å; M228-L238 HydrophobicContact SD-CD2 3.57Å; M228-L238 VanDerWaalsContact SD-CD2 3.57Å; P235-L238 HydrophobicContact CG-CD2 3.96Å; L238-V240 HydrophobicContact CB-CG2 4.23Å; L238-V249 HydrophobicContact CD1-CG1 3.92Å; L238-I253 HydrophobicContact CD1-CD1 4.29Å; L238-I264 HydrophobicContact CD1-CD1 3.63Å; L238-I264 HydrophobicContact CD1-CG1 4.22Å; L238-I264 HydrophobicContact CD2-CD1 4.44Å; L238-I264 HydrophobicContact CG-CD1 3.92Å; L238-I264 HydrophobicContact CG-CG1 4.23Å; L238-S265 PolarHBondContact N-O 3.03Å; L238-L266 HydrophobicContact CB-CB 3.89Å; L238-L266 CarbonylContact O-C 3.5Å; L238-L266 VanDerWaalsContact O-CA 3.26Å; L238-L266 WeakPolarHBondContact O-CA 3.24Å; L238-I267 PolarHBondContact O-N 3.1Å |
| 239 | F | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 121.1 | 157.9 | 175 | -149.6 | 0 | 0 | 0 | 108.8 | S162 I165 G178 F179 I180 R192 F196 V269 | S162-F239 VanDerWaalsContact OG-CE1 3.3Å; S162-F239 WeakPolarHBondContact OG-CE1 3.1Å; I165-F239 HydrophobicContact CD1-CD2 3.44Å; I165-F239 VanDerWaalsContact CD1-CD2 3.44Å; I165-F239 HydrophobicContact CD1-CE2 3.27Å; I165-F239 HydrophobicContact CD1-CG 4.23Å; I165-F239 HydrophobicContact CD1-CZ 3.93Å; I165-F239 HydrophobicContact CG2-CB 3.96Å; I165-F239 HydrophobicContact CG2-CD2 4.08Å; I165-F239 HydrophobicContact CG2-CG 3.98Å; G178-F239 PolarHBondContact O-N 3.08Å; F179-F239 VanDerWaalsContact CA-O 3.27Å; F179-F239 WeakPolarHBondContact CA-O 3.39Å; F179-F239 HydrophobicContact CD2-CB 4.17Å; F179-F239 AromaticContact CD2-CD1 3.39Å; F179-F239 HydrophobicContact CD2-CD1 3.39Å; F179-F239 AromaticContact CD2-CE1 3.88Å; F179-F239 HydrophobicContact CD2-CE1 3.88Å; F179-F239 AromaticContact CD2-CG 3.9Å; F179-F239 HydrophobicContact CD2-CG 3.9Å; F179-F239 WeakPolarHBondContact CD2-O 3.32Å; F179-F239 AromaticContact CE2-CD1 3.57Å; F179-F239 HydrophobicContact CE2-CD1 3.57Å; F179-F239 AromaticContact CE2-CE1 3.53Å; F179-F239 HydrophobicContact CE2-CE1 3.53Å; F179-F239 HydrophobicContact CE2-CG 4.2Å; F179-F239 HydrophobicContact CE2-CZ 4.16Å; I180-F239 PolarHBondContact N-O 3.24Å; R192-F239 HydrophobicContact CB-CE1 4.04Å; R192-F239 HydrophobicContact CB-CZ 4.04Å; R192-F239 HydrophobicContact CG-CZ 4.22Å; F196-F239 HydrophobicContact CB-CD1 4.27Å; F196-F239 HydrophobicContact CB-CE1 4.46Å; F196-F239 HydrophobicContact CD2-CB 4.29Å; F196-F239 AromaticContact CD2-CD1 3.66Å; F196-F239 HydrophobicContact CD2-CD1 3.66Å; F196-F239 HydrophobicContact CD2-CG 4.47Å; F196-F239 HydrophobicContact CE2-CB 4.08Å; F196-F239 HydrophobicContact CE2-CD1 4.3Å; F196-F239 HydrophobicContact CG-CD1 4.18Å; F239-V269 HydrophobicContact CE2-CG2 3.62Å; F239-V269 HydrophobicContact CZ-CG2 4.14Å |
| 240 | V | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 129.5 | 179.3 | -171.8 | 0 | 0 | 0 | 0 | 109.4 | I180 L238 S242 I245 A246 V249 L266 I267 S268 | I180-V240 HydrophobicContact CB-CG1 4.46Å; I180-V240 CarbonylContact O-C 3.53Å; I180-V240 WeakPolarHBondContact O-CA 3.21Å; L238-V240 HydrophobicContact CB-CG2 4.23Å; V240-S242 VanDerWaalsContact C-N 3.28Å; V240-S242 PolarHBondContact O-N 3.03Å; V240-I245 HydrophobicContact CG1-CB 3.76Å; V240-I245 HydrophobicContact CG1-CG2 3.43Å; V240-I245 VanDerWaalsContact CG1-CG2 3.43Å; V240-A246 HydrophobicContact CB-CB 4.12Å; V240-A246 HydrophobicContact CG1-CB 3.84Å; V240-A246 HydrophobicContact CG2-CB 4.5Å; V240-V249 HydrophobicContact CG1-CG2 4.26Å; V240-V249 HydrophobicContact CG2-CG2 4.38Å; V240-L266 HydrophobicContact CG2-CB 4.36Å; V240-L266 HydrophobicContact CG2-CD1 4.14Å; V240-I267 PolarHBondContact N-O 3.49Å; V240-S268 VanDerWaalsContact O-CA 3.25Å; V240-S268 WeakPolarHBondContact O-CA 3.39Å |
| 241 | A | 97.5 | Very high | 97 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -63.7 | -29.7 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | F179 I180 R192 F216 I245 V269 | F179-A241 HydrophobicContact CE2-CB 4.23Å; F179-A241 HydrophobicContact CZ-CB 3.9Å; I180-A241 PolarHBondContact O-N 3.21Å; R192-A241 PolarHBondContact NH1-O 2.93Å; F216-A241 HydrophobicContact CE1-CB 4.12Å; A241-I245 HydrophobicContact CB-CD1 4.24Å; A241-V269 WeakPolarHBondContact O-CB 3.37Å |
| 242 | S | 95.9 | Very high | 97.1 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.014 | 14% | 0.136 | C | C | . | . | trans | -147 | 159.5 | 175.7 | 72 | 0 | 0 | 0 | 0 | 112.5 | V240 S244 I245 A246 V269 | V240-S242 VanDerWaalsContact C-N 3.28Å; V240-S242 PolarHBondContact O-N 3.03Å; S242-S244 VanDerWaalsContact C-N 3.28Å; S242-S244 PolarHBondContact O-N 2.99Å; S242-I245 PolarHBondContact O-N 3.14Å; S242-I245 WeakPolarHBondContact OG-CG1 3.48Å; S242-I245 PolarHBondContact OG-N 3.42Å; S242-A246 WeakPolarHBondContact O-CB 3.4Å; S242-A246 PolarHBondContact O-N 2.82Å; S242-V269 CarbonylContact C-O 3.59Å; S242-V269 WeakPolarHBondContact CA-O 3.43Å | ||
| 243 | D | 96.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.3 | -36.8 | 175.3 | -67.2 | -16.2 | 0 | 0 | 0 | 112.5 | I245 A246 I247 S268 V269 D271 I272 L282 T284 | D243-I245 PolarHBondContact O-N 3.43Å; D243-A246 WeakPolarHBondContact O-CB 3.27Å; D243-A246 PolarHBondContact O-N 3.4Å; D243-A246 VanDerWaalsContact O-N 3.13Å; D243-I247 WeakPolarHBondContact O-CG1 3.07Å; D243-I247 PolarHBondContact O-N 2.94Å; D243-S268 VanDerWaalsContact OD1-CB 3.23Å; D243-S268 WeakPolarHBondContact OD1-CB 3.49Å; D243-S268 PolarHBondContact OD1-OG 3.16Å; D243-V269 VanDerWaalsContact CG-O 3.23Å; D243-V269 PolarHBondContact N-O 2.97Å; D243-V269 VanDerWaalsContact OD1-O 3.12Å; D243-D271 WeakPolarHBondContact OD2-CA 3.25Å; D243-D271 PolarHBondContact OD2-N 2.98Å; D243-I272 HydrophobicContact CB-CB 4.48Å; D243-I272 HydrophobicContact CB-CD1 3.59Å; D243-I272 HydrophobicContact CB-CG1 3.57Å; D243-I272 HydrophobicContact CB-CG2 4.3Å; D243-I272 PolarHBondContact OD2-N 2.9Å; D243-L282 HydrophobicContact CB-CD2 4.15Å; D243-T284 VanDerWaalsContact OD1-CB 3.29Å; D243-T284 WeakPolarHBondContact OD1-CB 3.49Å; D243-T284 PolarHBondContact OD1-OG1 3.41Å; D243-T284 PolarHBondContact OD2-OG1 2.97Å |
| 244 | S | 94.2 | Very high | 97.6 | Very high | 5 Ų | 5 | 20.2 Ų | 20.2 | 4% | 0.035 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60.5 | -43.7 | 177.6 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | S218 S242 | S218-S244 WeakPolarHBondContact CA-O 3.47Å; S218-S244 VanDerWaalsContact CB-O 3.29Å; S218-S244 WeakPolarHBondContact CB-O 3.35Å; S218-S244 PolarHBondContact N-O 2.89Å; S218-S244 PolarHBondContact OG-O 3.14Å; S242-S244 VanDerWaalsContact C-N 3.28Å; S242-S244 PolarHBondContact O-N 2.99Å |
| 245 | I | 96.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.8 | -45.5 | 172.9 | -64.1 | 170.8 | 0 | 0 | 0 | 109.7 | I180 F216 V240 A241 S242 D243 I247 G248 V249 | I180-I245 HydrophobicContact CG2-CG2 3.72Å; F216-I245 HydrophobicContact CD1-CD1 3.72Å; F216-I245 HydrophobicContact CE1-CD1 4.17Å; V240-I245 HydrophobicContact CG1-CB 3.76Å; V240-I245 HydrophobicContact CG1-CG2 3.43Å; V240-I245 VanDerWaalsContact CG1-CG2 3.43Å; A241-I245 HydrophobicContact CB-CD1 4.24Å; S242-I245 PolarHBondContact O-N 3.14Å; S242-I245 WeakPolarHBondContact OG-CG1 3.48Å; S242-I245 PolarHBondContact OG-N 3.42Å; D243-I245 PolarHBondContact O-N 3.43Å; I245-I247 VanDerWaalsContact C-N 3.29Å; I245-I247 PolarHBondContact O-N 3.48Å; I245-G248 WeakPolarHBondContact O-CA 3.37Å; I245-G248 PolarHBondContact O-N 2.85Å; I245-V249 HydrophobicContact CG2-CG2 4.16Å; I245-V249 WeakPolarHBondContact O-CG2 3.31Å; I245-V249 PolarHBondContact O-N 3.43Å; I245-V249 VanDerWaalsContact O-N 3.08Å |
| 246 | A | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.6 | -33.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V240 S242 D243 G248 V249 L250 L266 L282 | V240-A246 HydrophobicContact CB-CB 4.12Å; V240-A246 HydrophobicContact CG1-CB 3.84Å; V240-A246 HydrophobicContact CG2-CB 4.5Å; S242-A246 WeakPolarHBondContact O-CB 3.4Å; S242-A246 PolarHBondContact O-N 2.82Å; D243-A246 WeakPolarHBondContact O-CB 3.27Å; D243-A246 PolarHBondContact O-N 3.4Å; D243-A246 VanDerWaalsContact O-N 3.13Å; A246-G248 VanDerWaalsContact C-N 3.27Å; A246-G248 PolarHBondContact O-N 3.2Å; A246-V249 WeakPolarHBondContact O-CB 3.25Å; A246-V249 PolarHBondContact O-N 3.39Å; A246-V249 VanDerWaalsContact O-N 3.16Å; A246-L250 WeakPolarHBondContact O-CB 3.34Å; A246-L250 VanDerWaalsContact O-CG 3.3Å; A246-L250 WeakPolarHBondContact O-CG 3.26Å; A246-L250 PolarHBondContact O-N 3.33Å; A246-L266 HydrophobicContact CB-CD1 4.12Å; A246-L282 HydrophobicContact CB-CD1 4.04Å; A246-L282 HydrophobicContact CB-CD2 3.72Å |
| 247 | I | 97.1 | Very high | 97.6 | Very high | 57 Ų | 57 | 29.1 Ų | 29.1 | 29% | 0.292 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -57.8 | -41.4 | 173.1 | -70.8 | 165.2 | 0 | 0 | 0 | 111.2 | D243 I245 R251 I272 T278 | D243-I247 WeakPolarHBondContact O-CG1 3.07Å; D243-I247 PolarHBondContact O-N 2.94Å; I245-I247 VanDerWaalsContact C-N 3.29Å; I245-I247 PolarHBondContact O-N 3.48Å; I247-R251 PolarHBondContact O-N 3.23Å; I247-I272 HydrophobicContact CD1-CD1 4.17Å; I247-T278 HydrophobicContact CG1-CG2 4.14Å |
| 248 | G | 97.7 | Very high | 97.5 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 3% | 0.031 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.2 | -43.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | S218 Y222 I245 A246 L250 R251 A252 | S218-G248 WeakPolarHBondContact O-CA 3.45Å; Y222-G248 WeakPolarHBondContact CA-O 3.49Å; I245-G248 WeakPolarHBondContact O-CA 3.37Å; I245-G248 PolarHBondContact O-N 2.85Å; A246-G248 VanDerWaalsContact C-N 3.27Å; A246-G248 PolarHBondContact O-N 3.2Å; G248-L250 PolarHBondContact O-N 3.03Å; G248-R251 WeakPolarHBondContact O-CB 3.47Å; G248-R251 PolarHBondContact O-N 3.08Å; G248-A252 PolarHBondContact O-N 3.46Å; G248-A252 VanDerWaalsContact O-N 3.12Å |
| 249 | V | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.8 | -46.9 | 177.4 | 175.8 | 0 | 0 | 0 | 0 | 111 | I180 A225 L238 V240 I245 A246 R251 A252 I253 L266 | I180-V249 HydrophobicContact CB-CG2 4.43Å; I180-V249 HydrophobicContact CD1-CG1 4.12Å; I180-V249 HydrophobicContact CD1-CG2 3.71Å; I180-V249 HydrophobicContact CG2-CG2 4.13Å; A225-V249 HydrophobicContact CB-CB 4.24Å; A225-V249 HydrophobicContact CB-CG1 4.11Å; A225-V249 HydrophobicContact CB-CG2 4.18Å; L238-V249 HydrophobicContact CD1-CG1 3.92Å; V240-V249 HydrophobicContact CG1-CG2 4.26Å; V240-V249 HydrophobicContact CG2-CG2 4.38Å; I245-V249 HydrophobicContact CG2-CG2 4.16Å; I245-V249 WeakPolarHBondContact O-CG2 3.31Å; I245-V249 PolarHBondContact O-N 3.43Å; I245-V249 VanDerWaalsContact O-N 3.08Å; A246-V249 WeakPolarHBondContact O-CB 3.25Å; A246-V249 PolarHBondContact O-N 3.39Å; A246-V249 VanDerWaalsContact O-N 3.16Å; V249-R251 VanDerWaalsContact C-N 3.3Å; V249-R251 PolarHBondContact O-N 3.27Å; V249-A252 PolarHBondContact O-N 2.98Å; V249-I253 HydrophobicContact CG1-CD1 3.67Å; V249-I253 HydrophobicContact CG1-CG1 4.37Å; V249-I253 VanDerWaalsContact O-CG1 3.31Å; V249-I253 WeakPolarHBondContact O-CG1 3.47Å; V249-I253 PolarHBondContact O-N 3.44Å; V249-L266 HydrophobicContact CG1-CD1 4.42Å |
| 250 | L | 98.5 | Very high | 97.5 | Very high | 7 Ų | 7 | 35.5 Ų | 35.5 | 4% | 0.037 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -54.8 | -46.9 | 176.2 | -74.4 | 175.4 | 0 | 0 | 0 | 111.2 | A246 G248 A252 I253 H254 I260 L266 T278 L282 T325 | A246-L250 WeakPolarHBondContact O-CB 3.34Å; A246-L250 VanDerWaalsContact O-CG 3.3Å; A246-L250 WeakPolarHBondContact O-CG 3.26Å; A246-L250 PolarHBondContact O-N 3.33Å; G248-L250 PolarHBondContact O-N 3.03Å; L250-A252 PolarHBondContact O-N 3.4Å; L250-I253 PolarHBondContact O-N 3.28Å; L250-H254 PolarHBondContact O-CD2 3.28Å; L250-H254 PolarHBondContact O-N 3.37Å; L250-I260 HydrophobicContact CD2-CD1 3.45Å; L250-I260 VanDerWaalsContact CD2-CD1 3.45Å; L250-L266 HydrophobicContact CD2-CD1 4.08Å; L250-L266 HydrophobicContact CD2-CD2 3.71Å; L250-L266 HydrophobicContact CD2-CG 4.42Å; L250-L266 HydrophobicContact CG-CD1 4.25Å; L250-T278 HydrophobicContact CD1-CG2 3.87Å; L250-L282 HydrophobicContact CD1-CD1 4.45Å; L250-T325 HydrophobicContact CD2-CG2 3.88Å |
| 251 | R | 98.1 | Very high | 97.4 | Very high | 146 Ų | 146 | 36.3 Ų | 36.3 | 55% | 0.551 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -58.6 | -48.2 | 178.1 | -179.9 | 179.9 | 175.2 | 170.3 | 0.1 | 112 | Y222 I247 G248 V249 I253 H254 E255 | Y222-R251 HydrophobicContact CD2-CB 4.23Å; Y222-R251 HydrophobicContact CD2-CG 4.02Å; Y222-R251 HydrophobicContact CE2-CG 4.11Å; I247-R251 PolarHBondContact O-N 3.23Å; G248-R251 WeakPolarHBondContact O-CB 3.47Å; G248-R251 PolarHBondContact O-N 3.08Å; V249-R251 VanDerWaalsContact C-N 3.3Å; V249-R251 PolarHBondContact O-N 3.27Å; R251-I253 VanDerWaalsContact C-N 3.34Å; R251-I253 PolarHBondContact O-N 3.11Å; R251-H254 PolarHBondContact O-N 2.91Å; R251-E255 HydrophobicContact CG-CG 4.47Å; R251-E255 IonicContact CZ-OE1 3.68Å; R251-E255 IonicContact NE-OE1 2.7Å; R251-E255 PolarHBondContact NE-OE1 2.96Å; R251-E255 IonicContact NH2-OE1 3.52Å; R251-E255 PolarHBondContact NH2-OE1 3.23Å; R251-E255 WeakPolarHBondContact O-CG 3.44Å; R251-E255 PolarHBondContact O-N 3.25Å |
| 252 | A | 98.5 | Very high | 97.4 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 3% | 0.025 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.4 | -39.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y222 A225 K226 L229 G248 V249 L250 E255 R256 | Y222-A252 HydrophobicContact CD2-CB 3.8Å; Y222-A252 HydrophobicContact CE2-CB 4.2Å; A225-A252 HydrophobicContact CB-CB 3.52Å; K226-A252 HydrophobicContact CG-CB 4.04Å; L229-A252 HydrophobicContact CD1-CB 4.31Å; G248-A252 PolarHBondContact O-N 3.46Å; G248-A252 VanDerWaalsContact O-N 3.12Å; V249-A252 PolarHBondContact O-N 2.98Å; L250-A252 PolarHBondContact O-N 3.4Å; A252-E255 PolarHBondContact O-N 3.49Å; A252-R256 WeakPolarHBondContact O-CB 3.39Å; A252-R256 PolarHBondContact O-N 3.48Å; A252-R256 VanDerWaalsContact O-N 3.08Å |
| 253 | I | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64 | -44.6 | 177.1 | -66.9 | 167.6 | 0 | 0 | 0 | 110.9 | L229 L238 V249 L250 R251 R256 G257 L258 I260 I264 L266 | L229-I253 HydrophobicContact CD1-CG1 3.99Å; L238-I253 HydrophobicContact CD1-CD1 4.29Å; V249-I253 HydrophobicContact CG1-CD1 3.67Å; V249-I253 HydrophobicContact CG1-CG1 4.37Å; V249-I253 VanDerWaalsContact O-CG1 3.31Å; V249-I253 WeakPolarHBondContact O-CG1 3.47Å; V249-I253 PolarHBondContact O-N 3.44Å; L250-I253 PolarHBondContact O-N 3.28Å; R251-I253 VanDerWaalsContact C-N 3.34Å; R251-I253 PolarHBondContact O-N 3.11Å; I253-R256 WeakPolarHBondContact O-CB 3.37Å; I253-R256 PolarHBondContact O-N 2.91Å; I253-G257 PolarHBondContact O-N 3.39Å; I253-L258 HydrophobicContact CG2-CB 3.76Å; I253-L258 HydrophobicContact CG2-CD1 4.38Å; I253-L258 PolarHBondContact O-N 3.35Å; I253-I260 HydrophobicContact CB-CD1 4.09Å; I253-I260 HydrophobicContact CD1-CD1 4.21Å; I253-I260 HydrophobicContact CG2-CD1 3.63Å; I253-I260 HydrophobicContact CG2-CG1 3.65Å; I253-I264 HydrophobicContact CB-CG2 4.49Å; I253-I264 HydrophobicContact CD1-CD1 4.18Å; I253-I264 HydrophobicContact CD1-CG2 3.87Å; I253-I264 HydrophobicContact CG1-CG2 4.21Å; I253-I264 HydrophobicContact CG2-CG2 3.44Å; I253-I264 VanDerWaalsContact CG2-CG2 3.44Å; I253-L266 HydrophobicContact CD1-CD2 4.3Å |
| 254 | H | 97.5 | Very high | 97.5 | Very high | 72 Ų | 72 | 44.7 Ų | 44.7 | 33% | 0.333 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.7 | -44.7 | 176.8 | -79 | -60.1 | 0 | 0 | 0 | 112.5 | L250 R251 R256 G257 F279 | L250-H254 PolarHBondContact O-CD2 3.28Å; L250-H254 PolarHBondContact O-N 3.37Å; R251-H254 PolarHBondContact O-N 2.91Å; H254-R256 PolarHBondContact O-N 2.97Å; H254-G257 WeakPolarHBondContact O-CA 3.49Å; H254-G257 PolarHBondContact O-N 3.33Å; H254-F279 PolarHBondContact NE2-O 2.91Å |
| 255 | E | 97.8 | Very high | 97.7 | Very high | 107 Ų | 107 | 44.9 Ų | 44.9 | 50% | 0.5 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63 | -28.1 | 176.9 | -73.3 | -179.1 | -170.1 | 0 | 0 | 112.2 | Y222 R251 A252 G257 | Y222-E255 WeakPolarHBondContact CE2-OE2 3.49Å; Y222-E255 PolarHBondContact OH-OE2 3.3Å; R251-E255 HydrophobicContact CG-CG 4.47Å; R251-E255 IonicContact CZ-OE1 3.68Å; R251-E255 IonicContact NE-OE1 2.7Å; R251-E255 PolarHBondContact NE-OE1 2.96Å; R251-E255 IonicContact NH2-OE1 3.52Å; R251-E255 PolarHBondContact NH2-OE1 3.23Å; R251-E255 WeakPolarHBondContact O-CG 3.44Å; R251-E255 PolarHBondContact O-N 3.25Å; A252-E255 PolarHBondContact O-N 3.49Å; E255-G257 PolarHBondContact O-N 3.37Å |
| 256 | R | 96.9 | Very high | 97.8 | Very high | 148 Ų | 148 | 44.9 Ų | 44.9 | 56% | 0.558 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -12.9 | 172.7 | -169.9 | 60.8 | 178.1 | 91.8 | -4.9 | 113.4 | L229 A252 I253 H254 L258 | L229-R256 HydrophobicContact CB-CG 4.44Å; L229-R256 HydrophobicContact CD1-CB 4.1Å; L229-R256 HydrophobicContact CD1-CG 4.41Å; A252-R256 WeakPolarHBondContact O-CB 3.39Å; A252-R256 PolarHBondContact O-N 3.48Å; A252-R256 VanDerWaalsContact O-N 3.08Å; I253-R256 WeakPolarHBondContact O-CB 3.37Å; I253-R256 PolarHBondContact O-N 2.91Å; H254-R256 PolarHBondContact O-N 2.97Å; R256-L258 HydrophobicContact CB-CD1 4.41Å; R256-L258 HydrophobicContact CB-CG 4.33Å; R256-L258 HydrophobicContact CG-CD1 4.05Å; R256-L258 HydrophobicContact CG-CG 4.09Å |
| 257 | G | 97.1 | Very high | 97.8 | Very high | 61 Ų | 61 | 44.9 Ų | 44.9 | 63% | 0.629 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | 22.6 | 180 | 0 | 0 | 0 | 0 | 0 | 114.6 | I253 H254 E255 | I253-G257 PolarHBondContact O-N 3.39Å; H254-G257 WeakPolarHBondContact O-CA 3.49Å; H254-G257 PolarHBondContact O-N 3.33Å; E255-G257 PolarHBondContact O-N 3.37Å |
| 258 | L | 97.6 | Very high | 97.9 | Very high | 23 Ų | 23 | 42.2 Ų | 42.2 | 12% | 0.12 | 21% | 0.211 | C | C | . | . | trans | -92.1 | 143.8 | -179.4 | -62.7 | 174.1 | 0 | 0 | 0 | 111.4 | L229 Y234 I253 R256 D263 I264 | L229-L258 HydrophobicContact CD2-CD1 3.71Å; Y234-L258 HydrophobicContact CE2-CD1 4.08Å; Y234-L258 WeakPolarHBondContact OH-CD1 3.27Å; Y234-L258 WeakPolarHBondContact OH-CD2 3.39Å; I253-L258 HydrophobicContact CG2-CB 3.76Å; I253-L258 HydrophobicContact CG2-CD1 4.38Å; I253-L258 PolarHBondContact O-N 3.35Å; R256-L258 HydrophobicContact CB-CD1 4.41Å; R256-L258 HydrophobicContact CB-CG 4.33Å; R256-L258 HydrophobicContact CG-CD1 4.05Å; R256-L258 HydrophobicContact CG-CG 4.09Å; L258-D263 HydrophobicContact CB-CB 4.14Å; L258-D263 HydrophobicContact CD2-CB 4.1Å; L258-I264 HydrophobicContact CB-CG2 4.5Å | ||
| 259 | N | 97.4 | Very high | 97.9 | Very high | 97 Ų | 97 | 42 Ų | 42 | 52% | 0.519 | 21% | 0.209 | S | C | . | . | trans | -85.3 | 140.6 | 175.5 | -57 | -75.7 | 0 | 0 | 0 | 111.2 | Q262 D263 I264 | N259-Q262 HydrophobicContact CB-CB 4.09Å; N259-Q262 PolarHBondContact O-N 3.2Å; N259-D263 VanDerWaalsContact CB-OD2 3.3Å; N259-D263 WeakPolarHBondContact CB-OD2 3.32Å; N259-D263 PolarHBondContact N-OD2 2.91Å; N259-D263 PolarHBondContact ND2-OD2 2.91Å; N259-D263 WeakPolarHBondContact O-CB 3.5Å; N259-D263 PolarHBondContact O-N 2.65Å; N259-I264 PolarHBondContact O-N 3.43Å | ||
| 260 | I | 98.1 | Very high | 97.7 | Very high | 15 Ų | 15 | 42.7 Ų | 42.7 | 8% | 0.077 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | 125.3 | 175.2 | -54.3 | 177.7 | 0 | 0 | 0 | 107.4 | L250 I253 Q262 I264 L266 P280 T325 | L250-I260 HydrophobicContact CD2-CD1 3.45Å; L250-I260 VanDerWaalsContact CD2-CD1 3.45Å; I253-I260 HydrophobicContact CB-CD1 4.09Å; I253-I260 HydrophobicContact CD1-CD1 4.21Å; I253-I260 HydrophobicContact CG2-CD1 3.63Å; I253-I260 HydrophobicContact CG2-CG1 3.65Å; I260-Q262 PolarHBondContact O-OE1 2.65Å; I260-I264 HydrophobicContact CG1-CG2 4.18Å; I260-L266 HydrophobicContact CD1-CD2 4.12Å; I260-L266 HydrophobicContact CG2-CD2 3.98Å; I260-P280 HydrophobicContact CB-CG 3.83Å; I260-P280 HydrophobicContact CG2-CG 3.71Å; I260-T325 HydrophobicContact CG2-CG2 4.01Å |
| 261 | P | 97.8 | Very high | 97.6 | Very high | 16 Ų | 16 | 43.6 Ų | 43.6 | 10% | 0.104 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -95.6 | 10.4 | 7 | 39.4 | -38.7 | 0 | 0 | 0 | 114.9 | I264 G324 R327 | P261-I264 CarbonylContact C-O 3.32Å; P261-I264 WeakPolarHBondContact CA-O 3.08Å; P261-G324 WeakPolarHBondContact CD-O 3.4Å; P261-R327 HydrophobicContact CB-CG 3.99Å; P261-R327 HydrophobicContact CG-CG 3.9Å; P261-R327 PolarHBondContact O-NE 2.89Å |
| 262 | Q | 96.8 | Very high | 97.4 | Very high | 116 Ų | 116 | 37 Ų | 37 | 54% | 0.542 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -49.9 | -169.8 | -70.6 | 71.9 | 23.6 | 0 | 0 | 112.3 | N259 I260 R327 | N259-Q262 HydrophobicContact CB-CB 4.09Å; N259-Q262 PolarHBondContact O-N 3.2Å; I260-Q262 PolarHBondContact O-OE1 2.65Å; Q262-R327 PolarHBondContact O-NH2 3.11Å |
| 263 | D | 97 | Very high | 97.1 | Very high | 62 Ų | 62 | 40.3 Ų | 40.3 | 33% | 0.332 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -33.9 | -179.1 | -61.2 | -47.7 | 0 | 0 | 0 | 111.7 | K236 L258 N259 | K236-D263 WeakPolarHBondContact CD-O 3.31Å; L258-D263 HydrophobicContact CB-CB 4.14Å; L258-D263 HydrophobicContact CD2-CB 4.1Å; N259-D263 VanDerWaalsContact CB-OD2 3.3Å; N259-D263 WeakPolarHBondContact CB-OD2 3.32Å; N259-D263 PolarHBondContact N-OD2 2.91Å; N259-D263 PolarHBondContact ND2-OD2 2.91Å; N259-D263 WeakPolarHBondContact O-CB 3.5Å; N259-D263 PolarHBondContact O-N 2.65Å |
| 264 | I | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | -151.5 | 136.5 | 177.3 | -171.9 | 165.2 | 0 | 0 | 0 | 110.3 | M228 Y234 K236 L238 I253 L258 N259 I260 P261 | M228-I264 HydrophobicContact CE-CD1 4.02Å; Y234-I264 HydrophobicContact CD2-CD1 4.23Å; Y234-I264 HydrophobicContact CE2-CD1 4.31Å; K236-I264 WeakPolarHBondContact O-CA 3.27Å; L238-I264 HydrophobicContact CD1-CD1 3.63Å; L238-I264 HydrophobicContact CD1-CG1 4.22Å; L238-I264 HydrophobicContact CD2-CD1 4.44Å; L238-I264 HydrophobicContact CG-CD1 3.92Å; L238-I264 HydrophobicContact CG-CG1 4.23Å; I253-I264 HydrophobicContact CB-CG2 4.49Å; I253-I264 HydrophobicContact CD1-CD1 4.18Å; I253-I264 HydrophobicContact CD1-CG2 3.87Å; I253-I264 HydrophobicContact CG1-CG2 4.21Å; I253-I264 HydrophobicContact CG2-CG2 3.44Å; I253-I264 VanDerWaalsContact CG2-CG2 3.44Å; L258-I264 HydrophobicContact CB-CG2 4.5Å; N259-I264 PolarHBondContact O-N 3.43Å; I260-I264 HydrophobicContact CG1-CG2 4.18Å; P261-I264 CarbonylContact C-O 3.32Å; P261-I264 WeakPolarHBondContact CA-O 3.08Å | ||
| 265 | S | 98.3 | Very high | 96.7 | Very high | 10 Ų | 10 | 40.1 Ų | 40.1 | 7% | 0.07 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 152 | 176.4 | 63.5 | 0 | 0 | 0 | 0 | 110.8 | Y169 K236 A237 L238 T325 | Y169-S265 WeakPolarHBondContact CE1-OG 3.38Å; K236-S265 PolarHBondContact O-N 2.92Å; K236-S265 PolarHBondContact O-OG 3.14Å; A237-S265 CarbonylContact C-O 3.48Å; A237-S265 WeakPolarHBondContact CA-O 3.28Å; L238-S265 PolarHBondContact N-O 3.03Å; S265-T325 VanDerWaalsContact CA-O 3.28Å; S265-T325 WeakPolarHBondContact CA-O 3.36Å; S265-T325 WeakPolarHBondContact CB-O 3.43Å |
| 266 | L | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 146.3 | 175.9 | 66.8 | 148.1 | 0 | 0 | 0 | 113.2 | Y169 L238 V240 A246 V249 L250 I253 I260 L282 T325 | Y169-L266 VanDerWaalsContact OH-C 3.31Å; Y169-L266 VanDerWaalsContact OH-CA 3.25Å; Y169-L266 WeakPolarHBondContact OH-CA 3.5Å; Y169-L266 PolarHBondContact OH-N 2.9Å; L238-L266 HydrophobicContact CB-CB 3.89Å; L238-L266 CarbonylContact O-C 3.5Å; L238-L266 VanDerWaalsContact O-CA 3.26Å; L238-L266 WeakPolarHBondContact O-CA 3.24Å; V240-L266 HydrophobicContact CG2-CB 4.36Å; V240-L266 HydrophobicContact CG2-CD1 4.14Å; A246-L266 HydrophobicContact CB-CD1 4.12Å; V249-L266 HydrophobicContact CG1-CD1 4.42Å; L250-L266 HydrophobicContact CD2-CD1 4.08Å; L250-L266 HydrophobicContact CD2-CD2 3.71Å; L250-L266 HydrophobicContact CD2-CG 4.42Å; L250-L266 HydrophobicContact CG-CD1 4.25Å; I253-L266 HydrophobicContact CD1-CD2 4.3Å; I260-L266 HydrophobicContact CD1-CD2 4.12Å; I260-L266 HydrophobicContact CG2-CD2 3.98Å; L266-L282 HydrophobicContact CD1-CD1 3.69Å; L266-L282 HydrophobicContact CG-CD1 4.15Å; L266-T325 HydrophobicContact CD2-CG2 3.95Å; L266-T325 HydrophobicContact CG-CG2 4.18Å; L266-T325 PolarHBondContact N-O 2.99Å; L266-T325 WeakPolarHBondContact O-CB 3.35Å; L266-T325 PolarHBondContact O-OG1 3.2Å |
| 267 | I | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 134.2 | 170.1 | -64.4 | 168.3 | 0 | 0 | 0 | 108.4 | I165 F168 Y169 L238 V240 S283 V285 L320 T326 | I165-I267 HydrophobicContact CD1-CG2 3.81Å; I165-I267 HydrophobicContact CG1-CG2 3.98Å; I165-I267 HydrophobicContact CG2-CB 4.36Å; I165-I267 HydrophobicContact CG2-CD1 4.37Å; F168-I267 HydrophobicContact CD1-CD1 3.4Å; F168-I267 VanDerWaalsContact CD1-CD1 3.4Å; F168-I267 HydrophobicContact CE1-CD1 3.62Å; F168-I267 HydrophobicContact CG-CD1 4.26Å; Y169-I267 HydrophobicContact CE1-CD1 4.42Å; Y169-I267 HydrophobicContact CE2-CD1 4Å; Y169-I267 HydrophobicContact CE2-CG1 4.37Å; Y169-I267 PolarHBondContact OH-N 2.67Å; L238-I267 PolarHBondContact O-N 3.1Å; V240-I267 PolarHBondContact N-O 3.49Å; I267-S283 WeakPolarHBondContact CA-O 3.4Å; I267-V285 HydrophobicContact CG2-CG2 4.46Å; I267-L320 HydrophobicContact CD1-CD1 4.26Å; I267-L320 HydrophobicContact CG2-CD1 3.67Å; I267-T326 HydrophobicContact CD1-CG2 3.89Å; I267-T326 HydrophobicContact CG1-CG2 3.44Å; I267-T326 VanDerWaalsContact CG1-CG2 3.44Å |
| 268 | S | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | -168.2 | 176 | 58.4 | 0 | 0 | 0 | 0 | 113.1 | V240 D243 L282 S283 T284 V285 | V240-S268 VanDerWaalsContact O-CA 3.25Å; V240-S268 WeakPolarHBondContact O-CA 3.39Å; D243-S268 VanDerWaalsContact OD1-CB 3.23Å; D243-S268 WeakPolarHBondContact OD1-CB 3.49Å; D243-S268 PolarHBondContact OD1-OG 3.16Å; S268-L282 WeakPolarHBondContact OG-CD2 3.25Å; S268-L282 VanDerWaalsContact OG-CG 3.26Å; S268-L282 WeakPolarHBondContact OG-CG 3.27Å; S268-S283 PolarHBondContact N-O 2.55Å; S268-S283 PolarHBondContact OG-O 2.9Å; S268-T284 CarbonylContact O-C 3.6Å; S268-T284 VanDerWaalsContact O-CA 3.24Å; S268-T284 WeakPolarHBondContact O-CA 3.32Å; S268-T284 PolarHBondContact O-OG1 3.27Å; S268-T284 WeakPolarHBondContact OG-CB 3.28Å; S268-T284 PolarHBondContact OG-OG1 3.2Å; S268-V285 PolarHBondContact O-N 3.43Å |
| 269 | V | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 146.7 | -179.8 | -168.4 | 0 | 0 | 0 | 0 | 109.9 | I161 F239 A241 S242 D243 T284 V285 I287 | I161-V269 HydrophobicContact CG2-CG2 4.12Å; F239-V269 HydrophobicContact CE2-CG2 3.62Å; F239-V269 HydrophobicContact CZ-CG2 4.14Å; A241-V269 WeakPolarHBondContact O-CB 3.37Å; S242-V269 CarbonylContact C-O 3.59Å; S242-V269 WeakPolarHBondContact CA-O 3.43Å; D243-V269 VanDerWaalsContact CG-O 3.23Å; D243-V269 PolarHBondContact N-O 2.97Å; D243-V269 VanDerWaalsContact OD1-O 3.12Å; V269-T284 WeakPolarHBondContact CA-OG1 3.29Å; V269-T284 PolarHBondContact N-OG1 2.72Å; V269-V285 HydrophobicContact CG1-CB 4.37Å; V269-I287 HydrophobicContact CG1-CD1 3.43Å; V269-I287 VanDerWaalsContact CG1-CD1 3.43Å; V269-I287 HydrophobicContact CG1-CG1 4.15Å |
| 270 | N | 95 | Very high | 96.5 | Very high | 13 Ų | 13 | 44.3 Ų | 44.3 | 7% | 0.07 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 118.8 | -37.2 | 170.8 | -63.4 | -10 | 0 | 0 | 0 | 112.4 | Y81 I272 V285 | Y81-N270 HydrophobicContact CD2-CB 4.46Å; N270-I272 HydrophobicContact CB-CG2 3.82Å; N270-V285 PolarHBondContact N-O 2.84Å |
| 271 | D | 96.1 | Very high | 96.5 | Very high | 26 Ų | 26 | 46 Ų | 46 | 14% | 0.139 | 23% | 0.229 | C | C | . | . | trans | 56.4 | 46.7 | -170.6 | -162.3 | 29.3 | 0 | 0 | 0 | 113.7 | D243 T284 R286 R323 | D243-D271 WeakPolarHBondContact OD2-CA 3.25Å; D243-D271 PolarHBondContact OD2-N 2.98Å; D271-T284 HydrophobicContact CB-CG2 3.66Å; D271-T284 PolarHBondContact N-OG1 3Å; D271-T284 VanDerWaalsContact OD1-CG2 3.26Å; D271-T284 WeakPolarHBondContact OD1-CG2 3.35Å; D271-R286 VanDerWaalsContact CB-CA 3.5Å; D271-R286 HydrophobicContact CB-CB 3.56Å; D271-R286 HydrophobicContact CB-CG 3.86Å; D271-R286 WeakPolarHBondContact OD2-CD 3.4Å; D271-R323 IonicContact OD1-CZ 2.93Å; D271-R323 IonicContact OD1-NH1 3.57Å; D271-R323 PolarHBondContact OD1-NH1 2.78Å; D271-R323 IonicContact OD1-NH2 2.73Å; D271-R323 PolarHBondContact OD1-NH2 3.19Å; D271-R323 IonicContact OD2-NH2 3.63Å; D271-R323 PolarHBondContact OD2-NH2 2.83Å | ||
| 272 | I | 93.9 | Very high | 96.6 | Very high | 8 Ų | 8 | 45.2 Ų | 45.2 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | trans | -60.4 | 153 | 177.4 | 69.2 | 178.5 | 0 | 0 | 0 | 110.5 | P80 D243 I247 N270 T274 A275 | P80-I272 HydrophobicContact CG-CB 4.31Å; D243-I272 HydrophobicContact CB-CB 4.48Å; D243-I272 HydrophobicContact CB-CD1 3.59Å; D243-I272 HydrophobicContact CB-CG1 3.57Å; D243-I272 HydrophobicContact CB-CG2 4.3Å; D243-I272 PolarHBondContact OD2-N 2.9Å; I247-I272 HydrophobicContact CD1-CD1 4.17Å; N270-I272 HydrophobicContact CB-CG2 3.82Å; I272-T274 WeakPolarHBondContact CD1-OG1 3.36Å; I272-T274 WeakPolarHBondContact CG1-OG1 3.4Å; I272-T274 PolarHBondContact O-N 3.31Å; I272-A275 HydrophobicContact CG1-CB 4.28Å; I272-A275 WeakPolarHBondContact O-CB 3.38Å; I272-A275 PolarHBondContact O-N 2.93Å | ||
| 273 | P | 92.3 | Very high | 96.7 | Very high | 72 Ų | 72 | 39.7 Ų | 39.7 | 47% | 0.468 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -52.8 | -37 | -174.7 | -30 | 36.3 | 0 | 0 | 0 | 114.7 | A275 F277 | P273-A275 VanDerWaalsContact C-N 3.32Å; P273-A275 PolarHBondContact O-N 2.87Å; P273-F277 WeakPolarHBondContact O-CD2 3.4Å |
| 274 | T | 92.6 | Very high | 96.7 | Very high | 69 Ų | 69 | 36.8 Ų | 36.8 | 42% | 0.423 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -70.2 | -22 | -179.6 | 52.4 | 0 | 0 | 0 | 0 | 113.6 | I272 R276 F277 T278 | I272-T274 WeakPolarHBondContact CD1-OG1 3.36Å; I272-T274 WeakPolarHBondContact CG1-OG1 3.4Å; I272-T274 PolarHBondContact O-N 3.31Å; T274-R276 PolarHBondContact O-N 3.47Å; T274-R276 VanDerWaalsContact O-N 3.17Å; T274-F277 CarbonylContact O-C 3.6Å; T274-F277 PolarHBondContact O-N 2.87Å; T274-T278 PolarHBondContact O-N 3.17Å |
| 275 | A | 95.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -57.9 | -31.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I272 P273 F277 T278 L282 T284 | I272-A275 HydrophobicContact CG1-CB 4.28Å; I272-A275 WeakPolarHBondContact O-CB 3.38Å; I272-A275 PolarHBondContact O-N 2.93Å; P273-A275 VanDerWaalsContact C-N 3.32Å; P273-A275 PolarHBondContact O-N 2.87Å; A275-F277 VanDerWaalsContact C-N 3.28Å; A275-F277 PolarHBondContact O-N 3.46Å; A275-T278 PolarHBondContact O-OG1 3.14Å; A275-T278 VanDerWaalsContact O-OG1 3.12Å; A275-L282 HydrophobicContact CB-CB 4.12Å; A275-L282 HydrophobicContact CB-CD2 4.13Å; A275-L282 WeakPolarHBondContact O-CB 3.36Å; A275-L282 PolarHBondContact O-N 2.89Å; A275-T284 HydrophobicContact CB-CG2 4.37Å |
| 276 | R | 95.8 | Very high | 96.7 | Very high | 141 Ų | 141 | 41.4 Ų | 41.4 | 53% | 0.532 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -72.9 | -19.4 | 176.3 | -69.3 | -179.6 | -68.5 | -176.3 | -3 | 113.9 | T274 | T274-R276 PolarHBondContact O-N 3.47Å; T274-R276 VanDerWaalsContact O-N 3.17Å |
| 277 | F | 96 | Very high | 96.6 | Very high | 170 Ų | 170 | 41.7 Ų | 41.7 | 75% | 0.746 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | -110.6 | 3.8 | -173.5 | -60.4 | -77.7 | 0 | 0 | 0 | 112.9 | P273 T274 A275 | P273-F277 WeakPolarHBondContact O-CD2 3.4Å; T274-F277 CarbonylContact O-C 3.6Å; T274-F277 PolarHBondContact O-N 2.87Å; A275-F277 VanDerWaalsContact C-N 3.28Å; A275-F277 PolarHBondContact O-N 3.46Å |
| 278 | T | 96.8 | Very high | 96.4 | Very high | 24 Ų | 24 | 44.5 Ų | 44.5 | 15% | 0.147 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -65.7 | 161 | 166 | 62.8 | 0 | 0 | 0 | 0 | 110.1 | I247 L250 T274 A275 P280 P281 L282 | I247-T278 HydrophobicContact CG1-CG2 4.14Å; L250-T278 HydrophobicContact CD1-CG2 3.87Å; T274-T278 PolarHBondContact O-N 3.17Å; A275-T278 PolarHBondContact O-OG1 3.14Å; A275-T278 VanDerWaalsContact O-OG1 3.12Å; T278-P280 VanDerWaalsContact C-C 3.48Å; T278-P280 CarbonylContact C-O 3.59Å; T278-P280 VanDerWaalsContact C-O 3.26Å; T278-P280 CarbonylContact O-C 3.52Å; T278-P280 PolarHBondContact OG1-O 3.01Å; T278-P281 WeakPolarHBondContact O-CA 3.35Å; T278-P281 WeakPolarHBondContact OG1-CA 3.49Å; T278-L282 HydrophobicContact CG2-CB 4.41Å; T278-L282 WeakPolarHBondContact OG1-CB 3.47Å; T278-L282 PolarHBondContact OG1-N 2.95Å |
| 279 | F | 96.2 | Very high | 96.2 | Very high | 171 Ų | 171 | 45.3 Ų | 45.3 | 75% | 0.75 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -115.7 | 117.2 | 173.5 | -174.9 | -101 | 0 | 0 | 0 | 109.4 | H254 | H254-F279 PolarHBondContact NE2-O 2.91Š|
| 280 | P | 97.5 | Very high | 96.1 | Very high | 17 Ų | 17 | 50.7 Ų | 50.7 | 11% | 0.11 | 24% | 0.244 | C | C | . | . | S | Bend | cis | -64.9 | 165.1 | -16.3 | 32.5 | -35.5 | 0 | 0 | 0 | 111.5 | I260 T278 L282 G324 T325 | I260-P280 HydrophobicContact CB-CG 3.83Å; I260-P280 HydrophobicContact CG2-CG 3.71Å; T278-P280 VanDerWaalsContact C-C 3.48Å; T278-P280 CarbonylContact C-O 3.59Å; T278-P280 VanDerWaalsContact C-O 3.26Å; T278-P280 CarbonylContact O-C 3.52Å; T278-P280 PolarHBondContact OG1-O 3.01Å; P280-L282 PolarHBondContact O-N 2.89Å; P280-G324 WeakPolarHBondContact CG-O 3.11Å; P280-T325 HydrophobicContact CG-CG2 3.89Å |
| 281 | P | 98.2 | Very high | 96.1 | Very high | 51 Ų | 51 | 53.9 Ų | 53.9 | 33% | 0.331 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 132.9 | 177.2 | -27.9 | 36.7 | 0 | 0 | 0 | 111.9 | T278 R323 G324 T325 | T278-P281 WeakPolarHBondContact O-CA 3.35Å; T278-P281 WeakPolarHBondContact OG1-CA 3.49Å; P281-R323 HydrophobicContact CB-CB 4.08Å; P281-R323 WeakPolarHBondContact O-CB 3.16Å; P281-G324 CarbonylContact O-C 3.58Å; P281-G324 WeakPolarHBondContact O-CA 3.44Å; P281-G324 PolarHBondContact O-N 2.99Å; P281-T325 PolarHBondContact O-N 2.89Å |
| 282 | L | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -78 | 121.5 | -168.3 | 179.4 | 62 | 0 | 0 | 0 | 112.6 | D243 A246 L250 L266 S268 A275 T278 P280 R323 T325 | D243-L282 HydrophobicContact CB-CD2 4.15Å; A246-L282 HydrophobicContact CB-CD1 4.04Å; A246-L282 HydrophobicContact CB-CD2 3.72Å; L250-L282 HydrophobicContact CD1-CD1 4.45Å; L266-L282 HydrophobicContact CD1-CD1 3.69Å; L266-L282 HydrophobicContact CG-CD1 4.15Å; S268-L282 WeakPolarHBondContact OG-CD2 3.25Å; S268-L282 VanDerWaalsContact OG-CG 3.26Å; S268-L282 WeakPolarHBondContact OG-CG 3.27Å; A275-L282 HydrophobicContact CB-CB 4.12Å; A275-L282 HydrophobicContact CB-CD2 4.13Å; A275-L282 WeakPolarHBondContact O-CB 3.36Å; A275-L282 PolarHBondContact O-N 2.89Å; T278-L282 HydrophobicContact CG2-CB 4.41Å; T278-L282 WeakPolarHBondContact OG1-CB 3.47Å; T278-L282 PolarHBondContact OG1-N 2.95Å; P280-L282 PolarHBondContact O-N 2.89Å; L282-R323 VanDerWaalsContact O-CD 3.25Å; L282-R323 WeakPolarHBondContact O-CD 3.4Å; L282-R323 PolarHBondContact O-NH1 2.87Å; L282-T325 HydrophobicContact CB-CG2 4.46Å; L282-T325 HydrophobicContact CD1-CG2 3.94Å |
| 283 | S | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 129.2 | 167 | -60.2 | 0 | 0 | 0 | 0 | 109.4 | I267 S268 K321 R323 T325 T326 | I267-S283 WeakPolarHBondContact CA-O 3.4Å; S268-S283 PolarHBondContact N-O 2.55Å; S268-S283 PolarHBondContact OG-O 2.9Å; S283-K321 VanDerWaalsContact CA-O 3.25Å; S283-K321 WeakPolarHBondContact CA-O 3.05Å; S283-R323 PolarHBondContact OG-N 3.08Å; S283-R323 PolarHBondContact OG-O 2.71Å; S283-T325 VanDerWaalsContact CB-OG1 3.23Å; S283-T325 WeakPolarHBondContact CB-OG1 3.43Å; S283-T325 PolarHBondContact N-OG1 3.12Å; S283-T325 PolarHBondContact OG-OG1 3.33Å; S283-T326 WeakPolarHBondContact OG-CG2 3.49Å; S283-T326 PolarHBondContact OG-OG1 3.08Å |
| 284 | T | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 152.7 | -169.4 | -178.8 | 0 | 0 | 0 | 0 | 111.3 | D243 S268 V269 D271 A275 K321 | D243-T284 VanDerWaalsContact OD1-CB 3.29Å; D243-T284 WeakPolarHBondContact OD1-CB 3.49Å; D243-T284 PolarHBondContact OD1-OG1 3.41Å; D243-T284 PolarHBondContact OD2-OG1 2.97Å; S268-T284 CarbonylContact O-C 3.6Å; S268-T284 VanDerWaalsContact O-CA 3.24Å; S268-T284 WeakPolarHBondContact O-CA 3.32Å; S268-T284 PolarHBondContact O-OG1 3.27Å; S268-T284 WeakPolarHBondContact OG-CB 3.28Å; S268-T284 PolarHBondContact OG-OG1 3.2Å; V269-T284 WeakPolarHBondContact CA-OG1 3.29Å; V269-T284 PolarHBondContact N-OG1 2.72Å; D271-T284 HydrophobicContact CB-CG2 3.66Å; D271-T284 PolarHBondContact N-OG1 3Å; D271-T284 VanDerWaalsContact OD1-CG2 3.26Å; D271-T284 WeakPolarHBondContact OD1-CG2 3.35Å; A275-T284 HydrophobicContact CB-CG2 4.37Å; T284-K321 PolarHBondContact N-O 2.72Å; T284-K321 WeakPolarHBondContact O-CA 3.41Å; T284-K321 VanDerWaalsContact O-CB 3.32Å; T284-K321 WeakPolarHBondContact O-CB 3.17Å; T284-K321 PolarHBondContact O-N 3.45Å |
| 285 | V | 98.4 | Very high | 97 | Very high | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.018 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 114.1 | 172 | 176.9 | 0 | 0 | 0 | 0 | 109 | I161 I165 I267 S268 V269 N270 I287 L320 | I161-V285 HydrophobicContact CD1-CG1 3.85Å; I161-V285 HydrophobicContact CG1-CG1 4.04Å; I161-V285 HydrophobicContact CG2-CB 4.18Å; I161-V285 HydrophobicContact CG2-CG1 4.09Å; I161-V285 HydrophobicContact CG2-CG2 4.05Å; I165-V285 HydrophobicContact CD1-CG2 3.88Å; I165-V285 HydrophobicContact CG1-CG2 4.13Å; I267-V285 HydrophobicContact CG2-CG2 4.46Å; S268-V285 PolarHBondContact O-N 3.43Å; V269-V285 HydrophobicContact CG1-CB 4.37Å; N270-V285 PolarHBondContact N-O 2.84Å; V285-I287 PolarHBondContact O-N 2.95Å; V285-L320 HydrophobicContact CG2-CB 4.38Å; V285-L320 HydrophobicContact CG2-CD1 3.72Å |
| 286 | R | 97.2 | Very high | 97.1 | Very high | 104 Ų | 104 | 49.5 Ų | 49.5 | 39% | 0.392 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 125.5 | 176 | 179.3 | 169.9 | 179.1 | 163.8 | -2.5 | 110.6 | D271 S318 K319 K321 | D271-R286 VanDerWaalsContact CB-CA 3.5Å; D271-R286 HydrophobicContact CB-CB 3.56Å; D271-R286 HydrophobicContact CB-CG 3.86Å; D271-R286 WeakPolarHBondContact OD2-CD 3.4Å; R286-S318 VanDerWaalsContact O-CA 3.27Å; R286-S318 WeakPolarHBondContact O-CA 3.25Å; R286-K319 PolarHBondContact N-O 3.07Å; R286-K319 PolarHBondContact O-N 3.34Å; R286-K319 VanDerWaalsContact O-N 3.07Å; R286-K321 HydrophobicContact CB-CG 3.96Å |
| 287 | I | 95.5 | Very high | 97.3 | Very high | 6 Ų | 6 | 42.8 Ų | 42.8 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 136.4 | 167.5 | -65.9 | 171.3 | 0 | 0 | 0 | 108 | Y81 I156 L158 I161 V269 V285 S289 M292 V316 | Y81-I287 HydrophobicContact CE2-CB 4.48Å; Y81-I287 HydrophobicContact CE2-CG2 3.97Å; I156-I287 HydrophobicContact CD1-CD1 3.91Å; I156-I287 HydrophobicContact CD1-CG2 3.69Å; I156-I287 HydrophobicContact CG1-CD1 4.19Å; I156-I287 HydrophobicContact CG1-CG1 4.44Å; I156-I287 HydrophobicContact CG1-CG2 3.67Å; I156-I287 HydrophobicContact CG2-CD1 3.96Å; I156-I287 HydrophobicContact CG2-CG1 4.19Å; L158-I287 HydrophobicContact CD2-CD1 4.35Å; I161-I287 HydrophobicContact CD1-CD1 4.38Å; I161-I287 HydrophobicContact CD1-CG1 4.39Å; V269-I287 HydrophobicContact CG1-CD1 3.43Å; V269-I287 VanDerWaalsContact CG1-CD1 3.43Å; V269-I287 HydrophobicContact CG1-CG1 4.15Å; V285-I287 PolarHBondContact O-N 2.95Å; I287-S289 VanDerWaalsContact C-N 3.28Å; I287-S289 PolarHBondContact O-N 3.41Å; I287-S289 VanDerWaalsContact O-N 3.1Å; I287-M292 HydrophobicContact CG2-SD 3.86Å; I287-V316 HydrophobicContact CG2-CG2 4.35Å |
| 288 | H | 94.3 | Very high | 97.4 | Very high | 60 Ų | 60 | 36.7 Ų | 36.7 | 28% | 0.278 | 18% | 0.179 | S | C | . | . | trans | -86.2 | 68 | 178.5 | -69.2 | -91.5 | 0 | 0 | 0 | 110.5 | E290 M291 M292 P317 | H288-E290 PolarHBondContact O-N 2.93Å; H288-M291 HydrophobicContact CB-CB 3.84Å; H288-M291 WeakPolarHBondContact O-CA 3.32Å; H288-M291 VanDerWaalsContact O-CB 3.23Å; H288-M291 WeakPolarHBondContact O-CB 3.47Å; H288-M291 PolarHBondContact O-N 3.03Å; H288-M292 PolarHBondContact O-N 3.27Å; H288-M292 VanDerWaalsContact O-N 3.11Å; H288-P317 PolarHBondContact CD2-O 2.68Å | ||
| 289 | S | 94.6 | Very high | 97.4 | Very high | 16 Ų | 16 | 36 Ų | 36 | 11% | 0.112 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58 | -41.3 | -175 | 44.2 | 0 | 0 | 0 | 0 | 114.1 | A84 I287 M291 M292 G293 | A84-S289 WeakPolarHBondContact CB-OG 3.26Å; I287-S289 VanDerWaalsContact C-N 3.28Å; I287-S289 PolarHBondContact O-N 3.41Å; I287-S289 VanDerWaalsContact O-N 3.1Å; S289-M291 PolarHBondContact O-N 3.08Å; S289-M292 WeakPolarHBondContact O-CB 3.48Å; S289-M292 PolarHBondContact O-N 2.99Å; S289-G293 PolarHBondContact O-N 3.29Å |
| 290 | E | 95.8 | Very high | 97.5 | Very high | 113 Ų | 113 | 27.9 Ų | 27.9 | 53% | 0.528 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -58.4 | -38.4 | 172 | -65.8 | 173.9 | -165.7 | 0 | 0 | 112.2 | A84 G88 H288 M292 G293 S294 | A84-E290 HydrophobicContact CB-CG 3.95Å; A84-E290 VanDerWaalsContact O-CA 3.31Å; A84-E290 WeakPolarHBondContact O-CA 3.19Å; A84-E290 WeakPolarHBondContact O-CG 3.44Å; G88-E290 WeakPolarHBondContact CA-O 3.47Å; H288-E290 PolarHBondContact O-N 2.93Å; E290-M292 VanDerWaalsContact C-N 3.31Å; E290-M292 PolarHBondContact O-N 3.16Å; E290-G293 PolarHBondContact O-N 3.49Å; E290-S294 PolarHBondContact O-N 2.96Å |
| 291 | M | 96.5 | Very high | 97.4 | Very high | 81 Ų | 81 | 29.6 Ų | 29.6 | 40% | 0.399 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -65 | -38.8 | 176.6 | -177.8 | 175.4 | -79.9 | 0 | 0 | 110.4 | H288 S289 G293 S294 Q295 V316 | H288-M291 HydrophobicContact CB-CB 3.84Å; H288-M291 WeakPolarHBondContact O-CA 3.32Å; H288-M291 VanDerWaalsContact O-CB 3.23Å; H288-M291 WeakPolarHBondContact O-CB 3.47Å; H288-M291 PolarHBondContact O-N 3.03Å; S289-M291 PolarHBondContact O-N 3.08Å; M291-G293 VanDerWaalsContact C-N 3.35Å; M291-G293 PolarHBondContact O-N 3.22Å; M291-S294 WeakPolarHBondContact CA-OG 3.49Å; M291-S294 PolarHBondContact O-N 3.15Å; M291-S294 PolarHBondContact O-OG 2.97Å; M291-Q295 HydrophobicContact CG-CG 3.89Å; M291-Q295 WeakPolarHBondContact O-CB 3.36Å; M291-Q295 VanDerWaalsContact O-CG 3.28Å; M291-Q295 WeakPolarHBondContact O-CG 3.36Å; M291-Q295 PolarHBondContact O-N 3.35Å; M291-V316 HydrophobicContact CG-CG1 4.35Å |
| 292 | M | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.6 | -49 | 177.4 | -60.9 | 170.3 | 66.5 | 0 | 0 | 111.5 | Y81 I85 I142 D143 V154 I156 I287 H288 S289 E290 S294 Q295 G296 V316 | Y81-M292 HydrophobicContact CE2-SD 4.49Å; I85-M292 HydrophobicContact CD1-CE 4.39Å; I85-M292 HydrophobicContact CD1-SD 4.47Å; I142-M292 HydrophobicContact CG2-CB 3.92Å; I142-M292 HydrophobicContact CG2-CE 4.2Å; D143-M292 HydrophobicContact CB-CE 3.8Å; V154-M292 HydrophobicContact CG1-CB 4.04Å; V154-M292 HydrophobicContact CG1-CG 4.22Å; I156-M292 HydrophobicContact CD1-CE 3.47Å; I156-M292 VanDerWaalsContact CD1-CE 3.47Å; I156-M292 HydrophobicContact CD1-SD 3.55Å; I156-M292 VanDerWaalsContact CD1-SD 3.55Å; I156-M292 HydrophobicContact CG1-CE 3.95Å; I156-M292 HydrophobicContact CG1-SD 3.84Å; I287-M292 HydrophobicContact CG2-SD 3.86Å; H288-M292 PolarHBondContact O-N 3.27Å; H288-M292 VanDerWaalsContact O-N 3.11Å; S289-M292 WeakPolarHBondContact O-CB 3.48Å; S289-M292 PolarHBondContact O-N 2.99Å; E290-M292 VanDerWaalsContact C-N 3.31Å; E290-M292 PolarHBondContact O-N 3.16Å; M292-S294 PolarHBondContact O-N 3.25Å; M292-Q295 PolarHBondContact O-N 3.17Å; M292-G296 PolarHBondContact O-N 3.37Å; M292-V316 HydrophobicContact CB-CG1 4.43Å; M292-V316 HydrophobicContact CG-CB 4.15Å; M292-V316 HydrophobicContact CG-CG1 3.56Å; M292-V316 HydrophobicContact CG-CG2 3.55Å; M292-V316 HydrophobicContact SD-CG2 3.95Å |
| 293 | G | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -56.2 | -51.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | I85 S289 E290 M291 Q295 G296 V297 | I85-G293 WeakPolarHBondContact O-CA 3.35Å; S289-G293 PolarHBondContact O-N 3.29Å; E290-G293 PolarHBondContact O-N 3.49Å; M291-G293 VanDerWaalsContact C-N 3.35Å; M291-G293 PolarHBondContact O-N 3.22Å; G293-Q295 VanDerWaalsContact C-N 3.34Å; G293-Q295 PolarHBondContact O-N 2.78Å; G293-G296 PolarHBondContact O-N 2.95Å; G293-V297 PolarHBondContact O-N 3.22Å |
| 294 | S | 98.2 | Very high | 96.9 | Very high | 21 Ų | 21 | 33.2 Ų | 33.2 | 15% | 0.147 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.3 | -36.8 | 179.9 | 74.3 | 0 | 0 | 0 | 0 | 113.3 | G88 E290 M291 M292 N298 | G88-S294 PolarHBondContact O-N 3.02Å; E290-S294 PolarHBondContact O-N 2.96Å; M291-S294 WeakPolarHBondContact CA-OG 3.49Å; M291-S294 PolarHBondContact O-N 3.15Å; M291-S294 PolarHBondContact O-OG 2.97Å; M292-S294 PolarHBondContact O-N 3.25Å; S294-N298 VanDerWaalsContact O-CG 3.23Å; S294-N298 PolarHBondContact O-N 2.92Å; S294-N298 VanDerWaalsContact O-N 3.09Å; S294-N298 PolarHBondContact O-ND2 2.91Å; S294-N298 VanDerWaalsContact O-ND2 3.1Å |
| 295 | Q | 98.4 | Very high | 96.6 | Very high | 62 Ų | 62 | 40.1 Ų | 40.1 | 29% | 0.29 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -72.5 | -35.5 | 179.1 | -70.8 | -51.2 | -60 | 0 | 0 | 111.6 | V154 M291 M292 G293 V297 N298 L299 | V154-Q295 HydrophobicContact CG1-CB 4.12Å; V154-Q295 HydrophobicContact CG2-CB 3.89Å; M291-Q295 HydrophobicContact CG-CG 3.89Å; M291-Q295 WeakPolarHBondContact O-CB 3.36Å; M291-Q295 VanDerWaalsContact O-CG 3.28Å; M291-Q295 WeakPolarHBondContact O-CG 3.36Å; M291-Q295 PolarHBondContact O-N 3.35Å; M292-Q295 PolarHBondContact O-N 3.17Å; G293-Q295 VanDerWaalsContact C-N 3.34Å; G293-Q295 PolarHBondContact O-N 2.78Å; Q295-V297 VanDerWaalsContact C-N 3.34Å; Q295-V297 PolarHBondContact O-N 2.97Å; Q295-N298 PolarHBondContact NE2-ND2 3.41Å; Q295-N298 WeakPolarHBondContact O-CB 3.49Å; Q295-N298 PolarHBondContact O-N 2.84Å; Q295-N298 VanDerWaalsContact O-N 3.14Å; Q295-L299 WeakPolarHBondContact O-CG 3.42Å; Q295-L299 PolarHBondContact O-N 3.15Å |
| 296 | G | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.9 | -46.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L119 M292 G293 N298 L299 V300 | L119-G296 VanDerWaalsContact CD2-C 3.44Å; L119-G296 WeakPolarHBondContact CD2-O 3.33Å; M292-G296 PolarHBondContact O-N 3.37Å; G293-G296 PolarHBondContact O-N 2.95Å; G296-N298 VanDerWaalsContact C-N 3.32Å; G296-N298 PolarHBondContact O-N 3.4Å; G296-L299 PolarHBondContact O-N 3.23Å; G296-V300 PolarHBondContact O-N 3.39Å; G296-V300 VanDerWaalsContact O-N 3.15Å |
| 297 | V | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.4 | -45.8 | 173.1 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | I65 I89 Q92 L96 I98 L119 G293 Q295 L299 V300 Y301 | I65-V297 HydrophobicContact CD1-CG1 4.06Å; I89-V297 HydrophobicContact CB-CG2 4.26Å; I89-V297 HydrophobicContact CG1-CG2 4.5Å; I89-V297 HydrophobicContact CG2-CG2 3.87Å; Q92-V297 HydrophobicContact CB-CB 4.17Å; Q92-V297 HydrophobicContact CB-CG1 4.23Å; Q92-V297 HydrophobicContact CB-CG2 4.26Å; Q92-V297 HydrophobicContact CG-CB 3.88Å; Q92-V297 HydrophobicContact CG-CG1 3.79Å; L96-V297 HydrophobicContact CD1-CG1 4.1Å; I98-V297 HydrophobicContact CD1-CG1 4.05Å; L119-V297 HydrophobicContact CD1-CG2 3.64Å; G293-V297 PolarHBondContact O-N 3.22Å; Q295-V297 VanDerWaalsContact C-N 3.34Å; Q295-V297 PolarHBondContact O-N 2.97Å; V297-L299 PolarHBondContact O-N 2.73Å; V297-V300 PolarHBondContact O-N 3.06Å; V297-Y301 VanDerWaalsContact O-CB 3.24Å; V297-Y301 WeakPolarHBondContact O-CB 3.28Å; V297-Y301 PolarHBondContact O-N 3.13Å |
| 298 | N | 97.9 | Very high | 96 | Very high | 42 Ų | 42 | 43.9 Ų | 43.9 | 23% | 0.225 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.2 | -42.8 | -179.6 | -70.2 | -32.2 | 0 | 0 | 0 | 112.6 | Q92 S294 Q295 G296 Y301 E302 | Q92-N298 PolarHBondContact NE2-OD1 3.14Å; S294-N298 VanDerWaalsContact O-CG 3.23Å; S294-N298 PolarHBondContact O-N 2.92Å; S294-N298 VanDerWaalsContact O-N 3.09Å; S294-N298 PolarHBondContact O-ND2 2.91Å; S294-N298 VanDerWaalsContact O-ND2 3.1Å; Q295-N298 PolarHBondContact NE2-ND2 3.41Å; Q295-N298 WeakPolarHBondContact O-CB 3.49Å; Q295-N298 PolarHBondContact O-N 2.84Å; Q295-N298 VanDerWaalsContact O-N 3.14Å; G296-N298 VanDerWaalsContact C-N 3.32Å; G296-N298 PolarHBondContact O-N 3.4Å; N298-Y301 PolarHBondContact O-N 2.88Å; N298-E302 WeakPolarHBondContact O-CB 3.29Å; N298-E302 PolarHBondContact O-N 2.86Å |
| 299 | L | 98.1 | Very high | 95.8 | Very high | 10 Ų | 10 | 45.5 Ų | 45.5 | 5% | 0.052 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.3 | -47.7 | 179.3 | -72.1 | 175.7 | 0 | 0 | 0 | 111.5 | D152 V154 Q295 G296 V297 Y301 K303 R308 L312 V314 | D152-L299 HydrophobicContact CB-CB 4.17Å; D152-L299 HydrophobicContact CB-CD1 4.13Å; V154-L299 HydrophobicContact CG2-CD1 3.52Å; Q295-L299 WeakPolarHBondContact O-CG 3.42Å; Q295-L299 PolarHBondContact O-N 3.15Å; G296-L299 PolarHBondContact O-N 3.23Å; V297-L299 PolarHBondContact O-N 2.73Å; L299-Y301 PolarHBondContact O-N 2.83Å; L299-K303 VanDerWaalsContact O-CB 3.27Å; L299-K303 WeakPolarHBondContact O-CB 3.44Å; L299-K303 PolarHBondContact O-N 3.16Å; L299-R308 PolarHBondContact O-NH2 2.86Å; L299-L312 HydrophobicContact CD2-CB 4.01Å; L299-L312 HydrophobicContact CD2-CD1 3.8Å; L299-L312 HydrophobicContact CD2-CG 4.49Å; L299-V314 HydrophobicContact CD1-CG2 4.05Å; L299-V314 HydrophobicContact CD2-CG2 4.33Å |
| 300 | V | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.4 | -45.8 | 176.8 | 166.5 | 0 | 0 | 0 | 0 | 111.4 | I65 L119 N138 C140 G296 V297 A304 | I65-V300 HydrophobicContact CD1-CB 4.44Å; I65-V300 HydrophobicContact CD1-CG1 3.93Å; I65-V300 HydrophobicContact CG1-CG1 4.05Å; L119-V300 HydrophobicContact CD2-CB 4.33Å; L119-V300 HydrophobicContact CD2-CG2 3.5Å; N138-V300 PolarHBondContact ND2-O 2.84Å; C140-V300 HydrophobicContact CB-CG2 3.57Å; G296-V300 PolarHBondContact O-N 3.39Å; G296-V300 VanDerWaalsContact O-N 3.15Å; V297-V300 PolarHBondContact O-N 3.06Å; V300-A304 WeakPolarHBondContact O-CB 3.47Å; V300-A304 PolarHBondContact O-N 3.27Å; V300-A304 VanDerWaalsContact O-N 3.14Å |
| 301 | Y | 96.4 | Very high | 95.7 | Very high | 53 Ų | 53 | 48.1 Ų | 48.1 | 21% | 0.208 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.8 | -44.9 | -178.7 | -179.8 | -115.7 | 0 | 0 | 0 | 112.4 | H63 L96 I98 V297 N298 L299 A304 R305 | H63-Y301 AromaticContact CD2-CE2 3.55Å; H63-Y301 AromaticContact NE2-CE2 3.64Å; L96-Y301 HydrophobicContact CD1-CD1 4.02Å; L96-Y301 HydrophobicContact CD1-CG 4.4Å; I98-Y301 HydrophobicContact CD1-CD2 3.84Å; I98-Y301 HydrophobicContact CD1-CE2 4.47Å; I98-Y301 HydrophobicContact CD1-CG 4.03Å; V297-Y301 VanDerWaalsContact O-CB 3.24Å; V297-Y301 WeakPolarHBondContact O-CB 3.28Å; V297-Y301 PolarHBondContact O-N 3.13Å; N298-Y301 PolarHBondContact O-N 2.88Å; L299-Y301 PolarHBondContact O-N 2.83Å; Y301-A304 PolarHBondContact O-N 2.78Å; Y301-R305 VanDerWaalsContact O-CB 3.28Å; Y301-R305 WeakPolarHBondContact O-CB 3.27Å; Y301-R305 PolarHBondContact O-N 2.89Å |
| 302 | E | 95.4 | Very high | 95.7 | Very high | 49 Ų | 49 | 47.7 Ų | 47.7 | 23% | 0.229 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 176.7 | 176.6 | -104 | 131.4 | 0 | 0 | 111.3 | N298 A304 R305 D306 R308 | N298-E302 WeakPolarHBondContact O-CB 3.29Å; N298-E302 PolarHBondContact O-N 2.86Å; E302-A304 VanDerWaalsContact C-N 3.34Å; E302-A304 PolarHBondContact O-N 2.9Å; E302-R305 PolarHBondContact O-N 3.03Å; E302-D306 WeakPolarHBondContact O-CB 3.45Å; E302-D306 PolarHBondContact O-N 2.91Å; E302-R308 VanDerWaalsContact CD-NE 3.26Å; E302-R308 WeakPolarHBondContact OE1-CD 3.3Å; E302-R308 IonicContact OE1-CZ 3.44Å; E302-R308 IonicContact OE1-NE 3.62Å; E302-R308 PolarHBondContact OE1-NE 3.08Å; E302-R308 IonicContact OE2-CZ 2.78Å; E302-R308 IonicContact OE2-NE 3.62Å; E302-R308 PolarHBondContact OE2-NE 2.92Å; E302-R308 IonicContact OE2-NH2 3.18Å; E302-R308 PolarHBondContact OE2-NH2 3.41Å |
| 303 | K | 95.3 | Very high | 95.7 | Very high | 32 Ų | 32 | 51.7 Ų | 51.7 | 14% | 0.139 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.9 | -44.1 | 175.5 | -174.4 | 165.7 | 175.9 | -171.7 | 0 | 112.2 | D137 N138 L299 G307 R308 | D137-K303 PolarHBondContact O-NZ 3.02Å; N138-K303 WeakPolarHBondContact OD1-CD 3.49Å; L299-K303 VanDerWaalsContact O-CB 3.27Å; L299-K303 WeakPolarHBondContact O-CB 3.44Å; L299-K303 PolarHBondContact O-N 3.16Å; K303-G307 WeakPolarHBondContact O-CA 3.43Å; K303-G307 PolarHBondContact O-N 3.24Å; K303-R308 HydrophobicContact CG-CB 4.49Å |
| 304 | A | 93.6 | Very high | 95.6 | Very high | 46 Ų | 46 | 53.8 Ų | 53.8 | 38% | 0.38 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -69.1 | -37.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T116 V300 Y301 E302 | T116-A304 HydrophobicContact CG2-CB 3.52Å; V300-A304 WeakPolarHBondContact O-CB 3.47Å; V300-A304 PolarHBondContact O-N 3.27Å; V300-A304 VanDerWaalsContact O-N 3.14Å; Y301-A304 PolarHBondContact O-N 2.78Å; E302-A304 VanDerWaalsContact C-N 3.34Å; E302-A304 PolarHBondContact O-N 2.9Å |
| 305 | R | 92.9 | Very high | 95.5 | Very high | 145 Ų | 145 | 57.1 Ų | 57.1 | 55% | 0.547 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -73.2 | -45.3 | -179.1 | -174 | -168.8 | 70.8 | -166.2 | -5.5 | 112.4 | Y301 E302 | Y301-R305 VanDerWaalsContact O-CB 3.28Å; Y301-R305 WeakPolarHBondContact O-CB 3.27Å; Y301-R305 PolarHBondContact O-N 2.89Å; E302-R305 PolarHBondContact O-N 3.03Å |
| 306 | D | 93.1 | Very high | 95.4 | Very high | 92 Ų | 92 | 54.6 Ų | 54.6 | 49% | 0.492 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -103.4 | -8.5 | -168.1 | -62.1 | -15.9 | 0 | 0 | 0 | 113.1 | E302 | E302-D306 WeakPolarHBondContact O-CB 3.45Å; E302-D306 PolarHBondContact O-N 2.91Å |
| 307 | G | 91.1 | Very high | 95.1 | Very high | 62 Ų | 62 | 58.4 Ų | 58.4 | 64% | 0.639 | 33% | 0.329 | S | S | * | . | trans | 69.1 | 32.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | K303 A309 | K303-G307 WeakPolarHBondContact O-CA 3.43Å; K303-G307 PolarHBondContact O-N 3.24Å; G307-A309 PolarHBondContact O-N 3.21Å | ||
| 308 | R | 94 | Very high | 95 | Very high | 38 Ų | 38 | 60.1 Ų | 60.1 | 14% | 0.143 | 34% | 0.341 | C | S | . | . | trans | -59.9 | 123.3 | 178.7 | 175.6 | 169.5 | 51.5 | 75.1 | -2.8 | 110.7 | D152 L299 E302 K303 L310 | D152-R308 IonicContact OD1-CZ 3.52Å; D152-R308 IonicContact OD1-NH1 3.89Å; D152-R308 PolarHBondContact OD1-NH1 3.4Å; D152-R308 IonicContact OD1-NH2 2.79Å; D152-R308 IonicContact OD2-CZ 3.18Å; D152-R308 IonicContact OD2-NH1 2.74Å; D152-R308 PolarHBondContact OD2-NH1 2.86Å; D152-R308 IonicContact OD2-NH2 2.66Å; D152-R308 PolarHBondContact OD2-NH2 3.06Å; L299-R308 PolarHBondContact O-NH2 2.86Å; E302-R308 VanDerWaalsContact CD-NE 3.26Å; E302-R308 WeakPolarHBondContact OE1-CD 3.3Å; E302-R308 IonicContact OE1-CZ 3.44Å; E302-R308 IonicContact OE1-NE 3.62Å; E302-R308 PolarHBondContact OE1-NE 3.08Å; E302-R308 IonicContact OE2-CZ 2.78Å; E302-R308 IonicContact OE2-NE 3.62Å; E302-R308 PolarHBondContact OE2-NE 2.92Å; E302-R308 IonicContact OE2-NH2 3.18Å; E302-R308 PolarHBondContact OE2-NH2 3.41Å; K303-R308 HydrophobicContact CG-CB 4.49Å; R308-L310 WeakPolarHBondContact CG-O 3.31Å; R308-L310 PolarHBondContact NH1-O 3.37Å | ||
| 309 | A | 90.4 | Very high | 94.9 | Very high | 94 Ų | 94 | 64.1 Ų | 64.1 | 78% | 0.777 | 36% | 0.357 | S | S | * | . | trans | -84.7 | -30.4 | -177 | 0 | 0 | 0 | 0 | 0 | 114.2 | G307 | G307-A309 PolarHBondContact O-N 3.21Š| ||
| 310 | L | 93.2 | Very high | 94.9 | Very high | 131 Ų | 131 | 66 Ų | 66 | 69% | 0.686 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -97.8 | 139.9 | -173.7 | -63.8 | 178.2 | 0 | 0 | 0 | 111.6 | R308 | R308-L310 WeakPolarHBondContact CG-O 3.31Å; R308-L310 PolarHBondContact NH1-O 3.37Å |
| 311 | P | 95 | Very high | 94.9 | Very high | 53 Ų | 53 | 68.9 Ų | 68.9 | 34% | 0.344 | 38% | 0.379 | S | S | . | . | trans | -69.6 | 149.1 | 174.9 | 30.1 | -34.5 | 0 | 0 | 0 | 111.6 | Y151 D152 | Y151-P311 VanDerWaalsContact O-CB 3.32Å; Y151-P311 WeakPolarHBondContact O-CB 3.24Å; D152-P311 WeakPolarHBondContact OD1-CA 3.45Å | ||
| 312 | L | 96.7 | Very high | 95 | Very high | 72 Ų | 72 | 70.6 Ų | 70.6 | 38% | 0.377 | 39% | 0.391 | S | S | . | . | trans | -114.4 | 130.9 | 173.6 | -63.3 | -179.6 | 0 | 0 | 0 | 110 | D152 A153 L299 | D152-L312 CarbonylContact C-O 3.53Å; D152-L312 WeakPolarHBondContact CA-O 3.07Å; D152-L312 PolarHBondContact OD1-N 2.95Å; A153-L312 PolarHBondContact N-O 3.16Å; L299-L312 HydrophobicContact CD2-CB 4.01Å; L299-L312 HydrophobicContact CD2-CD1 3.8Å; L299-L312 HydrophobicContact CD2-CG 4.49Å | ||
| 313 | L | 97 | Very high | 95.1 | Very high | 83 Ų | 83 | 71 Ų | 71 | 44% | 0.435 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 116.4 | 167.3 | 172.7 | 59.8 | 0 | 0 | 0 | 108.5 | H145 A153 D155 F315 | H145-L313 HydrophobicContact CB-CD1 3.78Å; A153-L313 HydrophobicContact CB-CD1 3.66Å; A153-L313 WeakPolarHBondContact O-CA 3.4Å; D155-L313 HydrophobicContact CB-CD1 4.36Å; L313-F315 HydrophobicContact CD1-CE2 4.49Å; L313-F315 HydrophobicContact CD1-CZ 4.35Å; L313-F315 HydrophobicContact CD2-CE2 3.81Å; L313-F315 HydrophobicContact CD2-CZ 3.95Å; L313-F315 HydrophobicContact CG-CE2 3.99Å; L313-F315 HydrophobicContact CG-CZ 4.27Å |
| 314 | V | 96.7 | Very high | 95.2 | Very high | 45 Ų | 45 | 70.8 Ų | 70.8 | 27% | 0.273 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 121 | -178.6 | -180 | 0 | 0 | 0 | 0 | 109.3 | A153 V154 D155 L299 | A153-V314 PolarHBondContact O-N 3.17Å; V154-V314 CarbonylContact C-O 3.51Å; V154-V314 WeakPolarHBondContact CA-O 3.46Å; V154-V314 HydrophobicContact CG2-CB 4.5Å; D155-V314 PolarHBondContact N-O 3.17Å; L299-V314 HydrophobicContact CD1-CG2 4.05Å; L299-V314 HydrophobicContact CD2-CG2 4.33Å |
| 315 | F | 96.6 | Very high | 95.4 | Very high | 91 Ų | 91 | 68.6 Ų | 68.6 | 40% | 0.399 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 121.6 | 168.7 | -72.2 | -71 | 0 | 0 | 0 | 110.5 | D155 I156 D157 L313 | D155-F315 HydrophobicContact CB-CD1 4.17Å; D155-F315 HydrophobicContact CB-CE1 3.96Å; D155-F315 CarbonylContact O-C 3.56Å; D155-F315 VanDerWaalsContact O-CA 3.27Å; D155-F315 WeakPolarHBondContact O-CA 3.47Å; I156-F315 VanDerWaalsContact C-CD1 3.48Å; D157-F315 HydrophobicContact CB-CD1 3.97Å; D157-F315 HydrophobicContact CB-CE1 4.2Å; D157-F315 HydrophobicContact CB-CG 4.37Å; D157-F315 VanDerWaalsContact N-CD1 3.35Å; L313-F315 HydrophobicContact CD1-CE2 4.49Å; L313-F315 HydrophobicContact CD1-CZ 4.35Å; L313-F315 HydrophobicContact CD2-CE2 3.81Å; L313-F315 HydrophobicContact CD2-CZ 3.95Å; L313-F315 HydrophobicContact CG-CE2 3.99Å; L313-F315 HydrophobicContact CG-CZ 4.27Å |
| 316 | V | 95.3 | Very high | 95.6 | Very high | 9 Ų | 9 | 62.1 Ų | 62.1 | 6% | 0.055 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 143.8 | 172.5 | -66.6 | 0 | 0 | 0 | 0 | 110.4 | V154 D155 I156 I287 M291 M292 | V154-V316 HydrophobicContact CG1-CG1 3.81Å; D155-V316 PolarHBondContact O-N 2.54Å; I156-V316 HydrophobicContact CG1-CG2 3.69Å; I287-V316 HydrophobicContact CG2-CG2 4.35Å; M291-V316 HydrophobicContact CG-CG1 4.35Å; M292-V316 HydrophobicContact CB-CG1 4.43Å; M292-V316 HydrophobicContact CG-CB 4.15Å; M292-V316 HydrophobicContact CG-CG1 3.56Å; M292-V316 HydrophobicContact CG-CG2 3.55Å; M292-V316 HydrophobicContact SD-CG2 3.95Å |
| 317 | P | 92.4 | Very high | 95.5 | Very high | 80 Ų | 80 | 67.9 Ų | 67.9 | 52% | 0.519 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 147.8 | 177.2 | 28.1 | -34.9 | 0 | 0 | 0 | 110.4 | H288 | H288-P317 PolarHBondContact CD2-O 2.68Š|
| 318 | S | 95.6 | Very high | 95.7 | Very high | 35 Ų | 35 | 68.2 Ų | 68.2 | 25% | 0.245 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 156.9 | 169.3 | 65.2 | 0 | 0 | 0 | 0 | 110.1 | R286 | R286-S318 VanDerWaalsContact O-CA 3.27Å; R286-S318 WeakPolarHBondContact O-CA 3.25Å |
| 319 | K | 96.4 | Very high | 95.8 | Very high | 127 Ų | 127 | 69.8 Ų | 69.8 | 55% | 0.552 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 124.3 | 176.9 | -176 | 167.5 | -177.2 | 169.4 | 0 | 111.5 | R286 K321 | R286-K319 PolarHBondContact N-O 3.07Å; R286-K319 PolarHBondContact O-N 3.34Å; R286-K319 VanDerWaalsContact O-N 3.07Å; K319-K321 PolarHBondContact O-N 2.73Å |
| 320 | L | 97.7 | Very high | 96.1 | Very high | 49 Ų | 49 | 68.4 Ų | 68.4 | 26% | 0.257 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 124.7 | 170.4 | -175.5 | 59.9 | 0 | 0 | 0 | 110.8 | F168 I267 V285 L322 | F168-L320 HydrophobicContact CB-CD2 4.33Å; F168-L320 HydrophobicContact CD2-CD2 3.84Å; F168-L320 HydrophobicContact CE2-CD2 4.37Å; F168-L320 HydrophobicContact CG-CD2 4.01Å; I267-L320 HydrophobicContact CD1-CD1 4.26Å; I267-L320 HydrophobicContact CG2-CD1 3.67Å; V285-L320 HydrophobicContact CG2-CB 4.38Å; V285-L320 HydrophobicContact CG2-CD1 3.72Å; L320-L322 HydrophobicContact CD1-CD2 4.23Å; L320-L322 HydrophobicContact CD2-CD2 3.85Å; L320-L322 HydrophobicContact CD2-CG 4.4Å; L320-L322 HydrophobicContact CG-CD2 3.89Å; L320-L322 HydrophobicContact CG-CG 4.28Å |
| 321 | K | 97.8 | Very high | 96.3 | Very high | 60 Ų | 60 | 64.8 Ų | 64.8 | 26% | 0.261 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 96.5 | 176 | -59.3 | -62.8 | -175.5 | 168.4 | 0 | 108.6 | S283 T284 R286 K319 | S283-K321 VanDerWaalsContact CA-O 3.25Å; S283-K321 WeakPolarHBondContact CA-O 3.05Å; T284-K321 PolarHBondContact N-O 2.72Å; T284-K321 WeakPolarHBondContact O-CA 3.41Å; T284-K321 VanDerWaalsContact O-CB 3.32Å; T284-K321 WeakPolarHBondContact O-CB 3.17Å; T284-K321 PolarHBondContact O-N 3.45Å; R286-K321 HydrophobicContact CB-CG 3.96Å; K319-K321 PolarHBondContact O-N 2.73Å |
| 322 | L | 98 | Very high | 96.4 | Very high | 90 Ų | 90 | 65.5 Ų | 65.5 | 47% | 0.471 | 33% | 0.326 | S | S | . | . | trans | -74.1 | 136.9 | 175.5 | -59.2 | 175.5 | 0 | 0 | 0 | 110.5 | F168 L320 T326 | F168-L322 HydrophobicContact CE1-CD2 4.15Å; F168-L322 HydrophobicContact CE2-CD1 3.63Å; F168-L322 HydrophobicContact CE2-CD2 3.77Å; F168-L322 HydrophobicContact CE2-CG 4.32Å; F168-L322 HydrophobicContact CZ-CD1 3.95Å; F168-L322 HydrophobicContact CZ-CD2 3.54Å; F168-L322 HydrophobicContact CZ-CG 4.42Å; L320-L322 HydrophobicContact CD1-CD2 4.23Å; L320-L322 HydrophobicContact CD2-CD2 3.85Å; L320-L322 HydrophobicContact CD2-CG 4.4Å; L320-L322 HydrophobicContact CG-CD2 3.89Å; L320-L322 HydrophobicContact CG-CG 4.28Å; L322-T326 HydrophobicContact CD2-CG2 4.19Å | ||
| 323 | R | 97.9 | Very high | 96.4 | Very high | 56 Ų | 56 | 65.1 Ų | 65.1 | 21% | 0.211 | 32% | 0.322 | C | S | . | . | trans | -144 | -152.9 | -179.8 | -57.2 | -163.4 | -177.8 | 107.2 | 3 | 109.3 | D271 P281 L282 S283 T325 T326 | D271-R323 IonicContact OD1-CZ 2.93Å; D271-R323 IonicContact OD1-NH1 3.57Å; D271-R323 PolarHBondContact OD1-NH1 2.78Å; D271-R323 IonicContact OD1-NH2 2.73Å; D271-R323 PolarHBondContact OD1-NH2 3.19Å; D271-R323 IonicContact OD2-NH2 3.63Å; D271-R323 PolarHBondContact OD2-NH2 2.83Å; P281-R323 HydrophobicContact CB-CB 4.08Å; P281-R323 WeakPolarHBondContact O-CB 3.16Å; L282-R323 VanDerWaalsContact O-CD 3.25Å; L282-R323 WeakPolarHBondContact O-CD 3.4Å; L282-R323 PolarHBondContact O-NH1 2.87Å; S283-R323 PolarHBondContact OG-N 3.08Å; S283-R323 PolarHBondContact OG-O 2.71Å; R323-T325 VanDerWaalsContact C-N 3.32Å; R323-T325 PolarHBondContact O-N 3.2Å; R323-T326 PolarHBondContact O-OG1 2.98Å | ||
| 324 | G | 97.7 | Very high | 96.3 | Very high | 28 Ų | 28 | 63.8 Ų | 63.8 | 29% | 0.289 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -5.7 | -172 | 0 | 0 | 0 | 0 | 0 | 115.6 | P261 P280 P281 T326 | P261-G324 WeakPolarHBondContact CD-O 3.4Å; P280-G324 WeakPolarHBondContact CG-O 3.11Å; P281-G324 CarbonylContact O-C 3.58Å; P281-G324 WeakPolarHBondContact O-CA 3.44Å; P281-G324 PolarHBondContact O-N 2.99Å; G324-T326 VanDerWaalsContact C-N 3.33Å |
| 325 | T | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -0.3 | 173.8 | 62.9 | 0 | 0 | 0 | 0 | 114.4 | L250 I260 S265 L266 P280 P281 L282 S283 R323 | L250-T325 HydrophobicContact CD2-CG2 3.88Å; I260-T325 HydrophobicContact CG2-CG2 4.01Å; S265-T325 VanDerWaalsContact CA-O 3.28Å; S265-T325 WeakPolarHBondContact CA-O 3.36Å; S265-T325 WeakPolarHBondContact CB-O 3.43Å; L266-T325 HydrophobicContact CD2-CG2 3.95Å; L266-T325 HydrophobicContact CG-CG2 4.18Å; L266-T325 PolarHBondContact N-O 2.99Å; L266-T325 WeakPolarHBondContact O-CB 3.35Å; L266-T325 PolarHBondContact O-OG1 3.2Å; P280-T325 HydrophobicContact CG-CG2 3.89Å; P281-T325 PolarHBondContact O-N 2.89Å; L282-T325 HydrophobicContact CB-CG2 4.46Å; L282-T325 HydrophobicContact CD1-CG2 3.94Å; S283-T325 VanDerWaalsContact CB-OG1 3.23Å; S283-T325 WeakPolarHBondContact CB-OG1 3.43Å; S283-T325 PolarHBondContact N-OG1 3.12Å; S283-T325 PolarHBondContact OG-OG1 3.33Å; R323-T325 VanDerWaalsContact C-N 3.32Å; R323-T325 PolarHBondContact O-N 3.2Å |
| 326 | T | 97.6 | Very high | 96.3 | Very high | 10 Ų | 10 | 63.1 Ų | 63.1 | 6% | 0.061 | 31% | 0.31 | C | S | . | . | trans | -126.5 | 155.6 | 176.2 | 49.2 | 0 | 0 | 0 | 0 | 110.5 | F168 I267 S283 L322 R323 G324 | F168-T326 HydrophobicContact CE1-CG2 4.27Å; I267-T326 HydrophobicContact CD1-CG2 3.89Å; I267-T326 HydrophobicContact CG1-CG2 3.44Å; I267-T326 VanDerWaalsContact CG1-CG2 3.44Å; S283-T326 WeakPolarHBondContact OG-CG2 3.49Å; S283-T326 PolarHBondContact OG-OG1 3.08Å; L322-T326 HydrophobicContact CD2-CG2 4.19Å; R323-T326 PolarHBondContact O-OG1 2.98Å; G324-T326 VanDerWaalsContact C-N 3.33Å | ||
| 327 | R | 90.5 | Very high | 96.4 | Very high | 213 Ų | 213 | 68 Ų | 68 | 80% | 0.804 | 33% | 0.334 | S | S | * | . | trans | -76.2 | 0 | 175.2 | -62.8 | -178.8 | -175.9 | -177.7 | -1.1 | 111.9 | P261 Q262 | P261-R327 HydrophobicContact CB-CG 3.99Å; P261-R327 HydrophobicContact CG-CG 3.9Å; P261-R327 PolarHBondContact O-NE 2.89Å; Q262-R327 PolarHBondContact O-NH2 3.11Å |
Retrieved 327 of 327 residues in 680.3 ms
(Link to these results)