| 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 | 55.8 | Low | 76.1 | Confident | 199 Ų | 199 | 123.7 Ų | 123.7 | 98% | 0.98 | 60% | 0.6 | S | S | * | * | 0 | -49.4 | 0 | -82.2 | 171.3 | 62.6 | 0 | 0 | 111.4 | K3 T4 Q5 | M1-K3 PolarHBondContact O-N 2.92Å; M1-T4 WeakPolarHBondContact O-CB 3.3Å; M1-T4 PolarHBondContact O-N 2.98Å; M1-T4 VanDerWaalsContact O-N 3.11Å; M1-Q5 PolarHBondContact O-N 3.47Å | |||
| 2 | E | 59.8 | Low | 77.8 | Confident | 159 Ų | 159 | 117.6 Ų | 117.6 | 74% | 0.743 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -52.7 | -51.1 | 177.6 | -78.6 | 172.6 | 144.4 | 0 | 0 | 114.6 | T4 Q5 E6 | E2-T4 PolarHBondContact O-N 3.38Å; E2-Q5 WeakPolarHBondContact O-CB 3.45Å; E2-Q5 PolarHBondContact O-N 3.31Å; E2-E6 PolarHBondContact O-N 3.24Å |
| 3 | K | 61.3 | Low | 79.4 | Confident | 172 Ų | 172 | 110.2 Ų | 110.2 | 75% | 0.748 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -59.4 | -31.5 | 177.9 | -73.5 | -174.8 | 175.7 | -178.2 | 0 | 114.2 | M1 T7 | M1-K3 PolarHBondContact O-N 2.92Å; K3-T7 PolarHBondContact O-N 3.27Å; K3-T7 PolarHBondContact O-OG1 3.37Å |
| 4 | T | 66.8 | Low | 80.7 | Confident | 98 Ų | 98 | 108.7 Ų | 108.7 | 60% | 0.601 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -74.4 | -38.4 | 176.8 | -47.1 | 0 | 0 | 0 | 0 | 110.4 | M1 E2 T7 V8 | M1-T4 WeakPolarHBondContact O-CB 3.3Å; M1-T4 PolarHBondContact O-N 2.98Å; M1-T4 VanDerWaalsContact O-N 3.11Å; E2-T4 PolarHBondContact O-N 3.38Å; T4-T7 WeakPolarHBondContact O-CB 3.25Å; T4-T7 PolarHBondContact O-N 2.88Å; T4-V8 WeakPolarHBondContact O-CG2 3.1Å; T4-V8 PolarHBondContact O-N 3.48Å; T4-V8 VanDerWaalsContact O-N 3.11Å |
| 5 | Q | 66.8 | Low | 81.8 | Confident | 129 Ų | 129 | 101.8 Ų | 101.8 | 60% | 0.603 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -68.8 | -39.6 | 177.6 | -163 | 167.4 | -6.2 | 0 | 0 | 112 | M1 E2 T7 V8 Q9 | M1-Q5 PolarHBondContact O-N 3.47Å; E2-Q5 WeakPolarHBondContact O-CB 3.45Å; E2-Q5 PolarHBondContact O-N 3.31Å; Q5-T7 VanDerWaalsContact C-N 3.27Å; Q5-T7 PolarHBondContact O-N 3.39Å; Q5-V8 PolarHBondContact O-N 3.23Å; Q5-Q9 PolarHBondContact O-N 3.32Å |
| 6 | E | 74.1 | Confident | 82.8 | Confident | 132 Ų | 132 | 96.9 Ų | 96.9 | 62% | 0.617 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -60.5 | -36.7 | 171.3 | -74 | -179.6 | 156.4 | 0 | 0 | 112.4 | E2 R10 | E2-E6 PolarHBondContact O-N 3.24Å; E6-R10 WeakPolarHBondContact O-CB 3.42Å; E6-R10 PolarHBondContact O-N 2.94Å |
| 7 | T | 86.6 | Confident | 83.6 | Confident | 59 Ų | 59 | 97.3 Ų | 97.3 | 36% | 0.362 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68.4 | -41.6 | 177.7 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | K3 T4 Q5 R10 I11 | K3-T7 PolarHBondContact O-N 3.27Å; K3-T7 PolarHBondContact O-OG1 3.37Å; T4-T7 WeakPolarHBondContact O-CB 3.25Å; T4-T7 PolarHBondContact O-N 2.88Å; Q5-T7 VanDerWaalsContact C-N 3.27Å; Q5-T7 PolarHBondContact O-N 3.39Å; T7-R10 PolarHBondContact O-N 2.9Å; T7-I11 HydrophobicContact CG2-CD1 4.26Å; T7-I11 WeakPolarHBondContact O-CG1 3.41Å; T7-I11 PolarHBondContact O-N 2.98Å; T7-I11 VanDerWaalsContact O-N 3.11Å |
| 8 | V | 89.4 | Confident | 84.4 | Confident | 75 Ų | 75 | 93.7 Ų | 93.7 | 46% | 0.455 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.4 | -47.1 | 175.1 | 173 | 0 | 0 | 0 | 0 | 110.6 | T4 Q5 R10 I11 L12 | T4-V8 WeakPolarHBondContact O-CG2 3.1Å; T4-V8 PolarHBondContact O-N 3.48Å; T4-V8 VanDerWaalsContact O-N 3.11Å; Q5-V8 PolarHBondContact O-N 3.23Å; V8-R10 VanDerWaalsContact C-N 3.25Å; V8-R10 PolarHBondContact O-N 3.02Å; V8-I11 PolarHBondContact O-N 2.92Å; V8-L12 HydrophobicContact CG1-CD1 3.81Å; V8-L12 HydrophobicContact CG1-CG 4.12Å; V8-L12 WeakPolarHBondContact O-CG 3.39Å; V8-L12 PolarHBondContact O-N 2.7Å |
| 9 | Q | 88.7 | Confident | 84.9 | Confident | 85 Ų | 85 | 88.9 Ų | 88.9 | 40% | 0.397 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.7 | -33.3 | -179.8 | -165.6 | 157.8 | 4 | 0 | 0 | 112.3 | Q5 L13 | Q5-Q9 PolarHBondContact O-N 3.32Å; Q9-L13 HydrophobicContact CG-CD1 3.85Å; Q9-L13 WeakPolarHBondContact O-CB 3.23Å; Q9-L13 WeakPolarHBondContact O-CG 3.4Å; Q9-L13 PolarHBondContact O-N 3.4Å |
| 10 | R | 93.4 | Very high | 85.3 | Confident | 150 Ų | 150 | 88.7 Ų | 88.7 | 57% | 0.566 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -62.6 | -46.6 | 170.8 | -175.3 | 177.7 | 66.4 | -160.9 | -0.6 | 112.1 | E6 T7 V8 L13 E14 | E6-R10 WeakPolarHBondContact O-CB 3.42Å; E6-R10 PolarHBondContact O-N 2.94Å; T7-R10 PolarHBondContact O-N 2.9Å; V8-R10 VanDerWaalsContact C-N 3.25Å; V8-R10 PolarHBondContact O-N 3.02Å; R10-L13 PolarHBondContact O-N 2.92Å; R10-E14 PolarHBondContact O-N 3.01Å |
| 11 | I | 94.9 | Very high | 85.6 | Confident | 103 Ų | 103 | 91.6 Ų | 91.6 | 53% | 0.528 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.3 | -48.4 | 179.7 | -68.1 | 164.6 | 0 | 0 | 0 | 110.5 | T7 V8 L13 E14 | T7-I11 HydrophobicContact CG2-CD1 4.26Å; T7-I11 WeakPolarHBondContact O-CG1 3.41Å; T7-I11 PolarHBondContact O-N 2.98Å; T7-I11 VanDerWaalsContact O-N 3.11Å; V8-I11 PolarHBondContact O-N 2.92Å; I11-L13 VanDerWaalsContact C-N 3.28Å; I11-L13 PolarHBondContact O-N 3.36Å; I11-E14 PolarHBondContact O-N 2.89Å |
| 12 | L | 96.6 | Very high | 87.1 | Confident | 50 Ų | 50 | 82.6 Ų | 82.6 | 26% | 0.262 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.3 | -29.2 | -176.5 | -63.5 | 179.9 | 0 | 0 | 0 | 113.1 | V8 S91 Y94 | V8-L12 HydrophobicContact CG1-CD1 3.81Å; V8-L12 HydrophobicContact CG1-CG 4.12Å; V8-L12 WeakPolarHBondContact O-CG 3.39Å; V8-L12 PolarHBondContact O-N 2.7Å; L12-S91 VanDerWaalsContact O-CB 3.24Å; L12-S91 WeakPolarHBondContact O-CB 3.38Å; L12-S91 PolarHBondContact O-OG 3.21Å; L12-Y94 HydrophobicContact CB-CD1 3.98Å; L12-Y94 HydrophobicContact CB-CE1 4.07Å; L12-Y94 HydrophobicContact CD1-CD1 4.29Å; L12-Y94 HydrophobicContact CD1-CE1 4.03Å |
| 13 | L | 97.8 | Very high | 87.7 | Confident | 21 Ų | 21 | 80 Ų | 80 | 11% | 0.11 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 2.3 | -177.8 | -66 | 176.5 | 0 | 0 | 0 | 113.7 | Q9 R10 I11 Y16 K17 Y94 V95 L98 | Q9-L13 HydrophobicContact CG-CD1 3.85Å; Q9-L13 WeakPolarHBondContact O-CB 3.23Å; Q9-L13 WeakPolarHBondContact O-CG 3.4Å; Q9-L13 PolarHBondContact O-N 3.4Å; R10-L13 PolarHBondContact O-N 2.92Å; I11-L13 VanDerWaalsContact C-N 3.28Å; I11-L13 PolarHBondContact O-N 3.36Å; L13-Y16 HydrophobicContact CD2-CD1 4.49Å; L13-Y16 PolarHBondContact O-N 3.02Å; L13-K17 WeakPolarHBondContact O-CB 3.31Å; L13-K17 WeakPolarHBondContact O-CG 3.45Å; L13-K17 PolarHBondContact O-N 3.37Å; L13-Y94 HydrophobicContact CD2-CD1 4Å; L13-Y94 HydrophobicContact CD2-CE1 4.19Å; L13-Y94 HydrophobicContact CG-CE1 4.35Å; L13-V95 HydrophobicContact CD2-CG2 3.55Å; L13-L98 HydrophobicContact CD2-CD1 4.03Å |
| 14 | E | 97.6 | Very high | 88.3 | Confident | 90 Ų | 90 | 73.6 Ų | 73.6 | 42% | 0.421 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.4 | -46.3 | -176.7 | -158.9 | -179.5 | 154.9 | 0 | 0 | 112.9 | R10 I11 Y16 K17 Y18 Y83 | R10-E14 PolarHBondContact O-N 3.01Å; I11-E14 PolarHBondContact O-N 2.89Å; E14-Y16 VanDerWaalsContact C-N 3.31Å; E14-Y16 PolarHBondContact O-N 3.09Å; E14-K17 PolarHBondContact O-N 3.46Å; E14-Y18 WeakPolarHBondContact O-CB 3.48Å; E14-Y18 PolarHBondContact O-N 3.33Å; E14-Y83 HydrophobicContact CB-CE1 4.41Å; E14-Y83 HydrophobicContact CG-CE1 3.91Å; E14-Y83 WeakPolarHBondContact OE1-CE1 3.19Å; E14-Y83 PolarHBondContact OE1-OH 3.3Å; E14-Y83 VanDerWaalsContact OE1-OH 3.09Å |
| 15 | P | 98.1 | Very high | 88.6 | Confident | 5 Ų | 5 | 74.1 Ų | 74.1 | 3% | 0.032 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.4 | -37.8 | 175.1 | -23.8 | 35.1 | 0 | 0 | 0 | 113.6 | Y18 L19 A79 Y83 V88 | P15-Y18 WeakPolarHBondContact O-CB 3.38Å; P15-Y18 PolarHBondContact O-N 2.91Å; P15-L19 PolarHBondContact O-N 3.46Å; P15-A79 HydrophobicContact CB-CB 4.37Å; P15-Y83 HydrophobicContact CB-CD2 4.17Å; P15-Y83 HydrophobicContact CB-CG 4.47Å; P15-Y83 HydrophobicContact CG-CD1 4.5Å; P15-Y83 HydrophobicContact CG-CD2 4.19Å; P15-Y83 HydrophobicContact CG-CG 4Å; P15-V88 HydrophobicContact CB-CG2 3.86Å; P15-V88 HydrophobicContact CG-CG2 4.15Å |
| 16 | Y | 97.8 | Very high | 89.2 | Confident | 24 Ų | 24 | 73.9 Ų | 73.9 | 9% | 0.094 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.2 | -44.7 | 176.7 | 179 | -101 | 0 | 0 | 0 | 112 | L13 E14 Y18 L19 L20 M55 N58 L62 V95 | L13-Y16 HydrophobicContact CD2-CD1 4.49Å; L13-Y16 PolarHBondContact O-N 3.02Å; E14-Y16 VanDerWaalsContact C-N 3.31Å; E14-Y16 PolarHBondContact O-N 3.09Å; Y16-Y18 VanDerWaalsContact C-N 3.32Å; Y16-Y18 PolarHBondContact O-N 3.41Å; Y16-L19 PolarHBondContact O-N 2.91Å; Y16-L20 HydrophobicContact CD1-CD1 3.98Å; Y16-L20 HydrophobicContact CD1-CG 4.37Å; Y16-L20 HydrophobicContact CE1-CD1 3.38Å; Y16-L20 HydrophobicContact CE1-CD2 4.49Å; Y16-L20 HydrophobicContact CE1-CG 3.98Å; Y16-L20 WeakPolarHBondContact O-CG 3.37Å; Y16-L20 PolarHBondContact O-N 3.47Å; Y16-L20 VanDerWaalsContact O-N 3.1Å; Y16-M55 WeakPolarHBondContact OH-CA 3.38Å; Y16-N58 HydrophobicContact CD2-CB 4.35Å; Y16-N58 HydrophobicContact CE2-CB 3.58Å; Y16-L62 HydrophobicContact CD2-CD1 4.24Å; Y16-V95 HydrophobicContact CD1-CG2 4.18Å; Y16-V95 HydrophobicContact CD2-CB 4.36Å; Y16-V95 HydrophobicContact CD2-CG1 4.08Å; Y16-V95 HydrophobicContact CD2-CG2 3.8Å; Y16-V95 HydrophobicContact CE2-CG1 3.74Å; Y16-V95 HydrophobicContact CE2-CG2 4.27Å; Y16-V95 HydrophobicContact CG-CG2 3.76Å |
| 17 | K | 96.4 | Very high | 89.6 | Confident | 103 Ų | 103 | 68.8 Ų | 68.8 | 45% | 0.448 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.7 | -36.2 | 176.1 | -74.9 | -178.6 | 178.4 | -177.9 | 0 | 112.2 | L13 E14 L20 Q21 | L13-K17 WeakPolarHBondContact O-CB 3.31Å; L13-K17 WeakPolarHBondContact O-CG 3.45Å; L13-K17 PolarHBondContact O-N 3.37Å; E14-K17 PolarHBondContact O-N 3.46Å; K17-L20 PolarHBondContact O-N 3.4Å; K17-Q21 WeakPolarHBondContact O-CG 3.27Å; K17-Q21 PolarHBondContact O-N 3.47Å; K17-Q21 VanDerWaalsContact O-N 3.16Å |
| 18 | Y | 96.9 | Very high | 89.4 | Confident | 32 Ų | 32 | 68.3 Ų | 68.3 | 13% | 0.125 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -55.4 | -51.1 | 172 | 169.1 | -95.7 | 0 | 0 | 0 | 111 | E14 P15 Y16 L20 Q21 L22 P77 A79 I82 Y83 | E14-Y18 WeakPolarHBondContact O-CB 3.48Å; E14-Y18 PolarHBondContact O-N 3.33Å; P15-Y18 WeakPolarHBondContact O-CB 3.38Å; P15-Y18 PolarHBondContact O-N 2.91Å; Y16-Y18 VanDerWaalsContact C-N 3.32Å; Y16-Y18 PolarHBondContact O-N 3.41Å; Y18-L20 VanDerWaalsContact C-N 3.29Å; Y18-L20 PolarHBondContact O-N 2.98Å; Y18-Q21 WeakPolarHBondContact O-CB 3.47Å; Y18-Q21 PolarHBondContact O-N 3.35Å; Y18-L22 HydrophobicContact CE1-CD1 4.32Å; Y18-P77 VanDerWaalsContact CE1-O 3.31Å; Y18-P77 WeakPolarHBondContact CE1-O 3.5Å; Y18-P77 PolarHBondContact OH-O 3.28Å; Y18-A79 HydrophobicContact CD1-CB 3.88Å; Y18-A79 HydrophobicContact CE1-CB 4.32Å; Y18-I82 HydrophobicContact CD2-CD1 4.2Å; Y18-I82 HydrophobicContact CE1-CD1 3.92Å; Y18-I82 HydrophobicContact CE2-CD1 3.49Å; Y18-I82 VanDerWaalsContact CE2-CD1 3.49Å; Y18-I82 WeakPolarHBondContact OH-CD1 3.41Å; Y18-Y83 HydrophobicContact CD2-CE2 4.37Å; Y18-Y83 AromaticContact CG-CE2 3.99Å; Y18-Y83 HydrophobicContact CG-CE2 3.99Å |
| 19 | L | 95 | Very high | 89.3 | Confident | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.2 | -36.7 | 177.9 | 177.3 | 61.6 | 0 | 0 | 0 | 112.7 | P15 Y16 Q21 L22 N58 L61 L62 R73 R74 | P15-L19 PolarHBondContact O-N 3.46Å; Y16-L19 PolarHBondContact O-N 2.91Å; L19-Q21 VanDerWaalsContact C-N 3.3Å; L19-Q21 PolarHBondContact O-N 3.02Å; L19-L22 HydrophobicContact CD1-CD1 4.17Å; L19-L22 WeakPolarHBondContact O-CB 3.47Å; L19-L22 PolarHBondContact O-N 3.35Å; L19-N58 HydrophobicContact CD2-CB 3.91Å; L19-N58 WeakPolarHBondContact CD2-O 3.3Å; L19-L61 HydrophobicContact CD2-CB 4.05Å; L19-L62 HydrophobicContact CB-CD2 4.12Å; L19-L62 HydrophobicContact CD2-CD2 3.83Å; L19-L62 HydrophobicContact CD2-CG 3.84Å; L19-R73 HydrophobicContact CD1-CG 3.83Å; L19-R74 PolarHBondContact O-NH1 3.21Å |
| 20 | L | 92.8 | Very high | 89.4 | Confident | 83 Ų | 83 | 66.6 Ų | 66.6 | 44% | 0.435 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68.9 | -24.3 | 178.7 | -69.5 | -173.6 | 0 | 0 | 0 | 114.2 | Y16 K17 Y18 L22 N58 | Y16-L20 HydrophobicContact CD1-CD1 3.98Å; Y16-L20 HydrophobicContact CD1-CG 4.37Å; Y16-L20 HydrophobicContact CE1-CD1 3.38Å; Y16-L20 HydrophobicContact CE1-CD2 4.49Å; Y16-L20 HydrophobicContact CE1-CG 3.98Å; Y16-L20 WeakPolarHBondContact O-CG 3.37Å; Y16-L20 PolarHBondContact O-N 3.47Å; Y16-L20 VanDerWaalsContact O-N 3.1Å; K17-L20 PolarHBondContact O-N 3.4Å; Y18-L20 VanDerWaalsContact C-N 3.29Å; Y18-L20 PolarHBondContact O-N 2.98Å; L20-L22 PolarHBondContact O-N 3Å; L20-N58 HydrophobicContact CD2-CB 4.19Å |
| 21 | Q | 91.1 | Very high | 89.3 | Confident | 151 Ų | 151 | 59.6 Ų | 59.6 | 71% | 0.706 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -69.7 | -18.2 | 174.8 | -70.3 | 170.4 | 2 | 0 | 0 | 112.2 | K17 Y18 L19 | K17-Q21 WeakPolarHBondContact O-CG 3.27Å; K17-Q21 PolarHBondContact O-N 3.47Å; K17-Q21 VanDerWaalsContact O-N 3.16Å; Y18-Q21 WeakPolarHBondContact O-CB 3.47Å; Y18-Q21 PolarHBondContact O-N 3.35Å; L19-Q21 VanDerWaalsContact C-N 3.3Å; L19-Q21 PolarHBondContact O-N 3.02Å |
| 22 | L | 86.6 | Confident | 89.2 | Confident | 10 Ų | 10 | 54.7 Ų | 54.7 | 5% | 0.052 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -82.9 | 125 | -178.5 | -46.8 | -173.2 | 0 | 0 | 0 | 109.7 | Y18 L19 L20 G24 R74 F76 | Y18-L22 HydrophobicContact CE1-CD1 4.32Å; L19-L22 HydrophobicContact CD1-CD1 4.17Å; L19-L22 WeakPolarHBondContact O-CB 3.47Å; L19-L22 PolarHBondContact O-N 3.35Å; L20-L22 PolarHBondContact O-N 3Å; L22-G24 PolarHBondContact O-N 2.76Å; L22-G24 VanDerWaalsContact O-N 3.14Å; L22-R74 HydrophobicContact CB-CB 4.15Å; L22-R74 HydrophobicContact CD1-CB 4.5Å; L22-R74 PolarHBondContact O-NH1 3.32Å; L22-F76 HydrophobicContact CB-CD2 4.23Å; L22-F76 HydrophobicContact CD1-CB 3.84Å; L22-F76 HydrophobicContact CD1-CD2 4.05Å; L22-F76 HydrophobicContact CD1-CG 4.22Å; L22-F76 HydrophobicContact CD2-CB 3.89Å; L22-F76 HydrophobicContact CD2-CD1 4.04Å; L22-F76 HydrophobicContact CD2-CD2 3.51Å; L22-F76 HydrophobicContact CD2-CE1 4.48Å; L22-F76 HydrophobicContact CD2-CE2 4.02Å; L22-F76 HydrophobicContact CD2-CG 3.53Å; L22-F76 HydrophobicContact CD2-CZ 4.47Å; L22-F76 HydrophobicContact CG-CB 4.5Å; L22-F76 HydrophobicContact CG-CD2 4.12Å; L22-F76 HydrophobicContact CG-CG 4.41Å |
| 23 | P | 74.1 | Confident | 89.1 | Confident | 105 Ų | 105 | 56.9 Ų | 56.9 | 68% | 0.682 | 28% | 0.283 | S | S | * | . | trans | -60.8 | 118.9 | -176.2 | 23.8 | -32.6 | 0 | 0 | 0 | 111.4 | R74 | P23-R74 WeakPolarHBondContact O-CD 3.4Š| ||
| 24 | G | 73.9 | Confident | 89 | Confident | 37 Ų | 37 | 55.9 Ų | 55.9 | 38% | 0.381 | 28% | 0.278 | S | S | . | . | trans | -104.9 | 158.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L22 Q26 | L22-G24 PolarHBondContact O-N 2.76Å; L22-G24 VanDerWaalsContact O-N 3.14Å; G24-Q26 PolarHBondContact O-N 3.28Å | ||
| 25 | K | 71.7 | Confident | 89 | Confident | 108 Ų | 108 | 51.6 Ų | 51.6 | 47% | 0.47 | 26% | 0.258 | S | S | . | . | trans | -75.8 | -3.7 | 179.7 | -63.4 | -173.3 | 178.9 | -173.8 | 0 | 114 | V27 E197 | K25-V27 HydrophobicContact CB-CG2 3.76Å; K25-V27 PolarHBondContact O-N 3.11Å; K25-E197 IonicContact NZ-OE1 2.95Å; K25-E197 PolarHBondContact NZ-OE1 3.03Å; K25-E197 VanDerWaalsContact NZ-OE1 3.13Å | ||
| 26 | Q | 79.1 | Confident | 89 | Confident | 124 Ų | 124 | 53 Ų | 53 | 58% | 0.579 | 27% | 0.265 | S | S | * | . | trans | 44.3 | 38.3 | 179.8 | -66.3 | -176.7 | -6.7 | 0 | 0 | 114 | G24 R28 T29 K30 | G24-Q26 PolarHBondContact O-N 3.28Å; Q26-R28 VanDerWaalsContact C-N 3.29Å; Q26-R28 PolarHBondContact O-N 3.04Å; Q26-T29 PolarHBondContact O-N 2.99Å; Q26-K30 PolarHBondContact O-N 3.4Å; Q26-K30 VanDerWaalsContact O-N 3.15Å | ||
| 27 | V | 82.4 | Confident | 89 | Confident | 26 Ų | 26 | 55.5 Ų | 55.5 | 16% | 0.158 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.2 | -33.7 | -171.8 | -176.4 | 0 | 0 | 0 | 0 | 111.7 | K25 K30 L31 F184 L287 L291 | K25-V27 HydrophobicContact CB-CG2 3.76Å; K25-V27 PolarHBondContact O-N 3.11Å; V27-K30 PolarHBondContact O-N 3.42Å; V27-L31 VanDerWaalsContact O-CB 3.27Å; V27-L31 WeakPolarHBondContact O-CB 3.29Å; V27-L31 PolarHBondContact O-N 2.92Å; V27-F184 HydrophobicContact CB-CE1 4.33Å; V27-F184 HydrophobicContact CG1-CE1 3.35Å; V27-F184 HydrophobicContact CG1-CZ 3.35Å; V27-L287 HydrophobicContact CG1-CD1 4.27Å; V27-L287 HydrophobicContact CG1-CD2 4.36Å; V27-L291 HydrophobicContact CG1-CD1 4.31Å |
| 28 | R | 83.2 | Confident | 89.1 | Confident | 49 Ų | 49 | 51.6 Ų | 51.6 | 19% | 0.185 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.3 | -45.9 | 178.5 | -77 | 168.8 | 179.6 | 79 | 3 | 111.7 | Q26 K30 L31 S32 T53 H57 F156 | Q26-R28 VanDerWaalsContact C-N 3.29Å; Q26-R28 PolarHBondContact O-N 3.04Å; R28-K30 PolarHBondContact O-N 3.17Å; R28-L31 WeakPolarHBondContact O-CB 3.47Å; R28-L31 PolarHBondContact O-N 3.38Å; R28-L31 VanDerWaalsContact O-N 3.15Å; R28-S32 PolarHBondContact O-N 2.58Å; R28-S32 PolarHBondContact O-OG 3.12Å; R28-T53 HydrophobicContact CB-CG2 4.26Å; R28-H57 VanDerWaalsContact CZ-CE1 3.46Å; R28-H57 PolarHBondContact NH1-CE1 2.94Å; R28-H57 PolarHBondContact NH1-ND1 2.79Å; R28-H57 PolarHBondContact NH1-NE2 3.23Å; R28-F156 HydrophobicContact CG-CD1 4.36Å; R28-F156 HydrophobicContact CG-CE1 3.85Å |
| 29 | T | 86.9 | Confident | 89.2 | Confident | 22 Ų | 22 | 50.1 Ų | 50.1 | 14% | 0.135 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.9 | -49.3 | 171.8 | -61.3 | 0 | 0 | 0 | 0 | 112 | Q26 L31 S32 Q33 I50 E54 | Q26-T29 PolarHBondContact O-N 2.99Å; T29-L31 VanDerWaalsContact C-N 3.27Å; T29-L31 PolarHBondContact O-N 2.96Å; T29-S32 PolarHBondContact O-N 3.38Å; T29-Q33 WeakPolarHBondContact O-CG 3.33Å; T29-Q33 PolarHBondContact O-N 3.13Å; T29-I50 HydrophobicContact CG2-CD1 4.49Å; T29-I50 HydrophobicContact CG2-CG2 4.05Å; T29-E54 PolarHBondContact N-OE1 2.95Å; T29-E54 PolarHBondContact OG1-OE1 2.86Å |
| 30 | K | 91.3 | Very high | 89.3 | Confident | 102 Ų | 102 | 57.9 Ų | 57.9 | 44% | 0.443 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.7 | -35.7 | 176.6 | -69.6 | 177.8 | -179.9 | 174.9 | 0 | 112.6 | Q26 V27 R28 A34 L287 | Q26-K30 PolarHBondContact O-N 3.4Å; Q26-K30 VanDerWaalsContact O-N 3.15Å; V27-K30 PolarHBondContact O-N 3.42Å; R28-K30 PolarHBondContact O-N 3.17Å; K30-A34 WeakPolarHBondContact O-CB 3.17Å; K30-A34 PolarHBondContact O-N 3.4Å; K30-L287 HydrophobicContact CB-CD1 4.46Å; K30-L287 HydrophobicContact CB-CD2 4.34Å; K30-L287 HydrophobicContact CD-CD1 4.44Å |
| 31 | L | 91.9 | Very high | 89.6 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.9 | -46.5 | 176.2 | -173.5 | 147.1 | 0 | 0 | 0 | 110.7 | V27 R28 T29 Q33 A34 F35 F156 V160 L180 F184 L287 | V27-L31 VanDerWaalsContact O-CB 3.27Å; V27-L31 WeakPolarHBondContact O-CB 3.29Å; V27-L31 PolarHBondContact O-N 2.92Å; R28-L31 WeakPolarHBondContact O-CB 3.47Å; R28-L31 PolarHBondContact O-N 3.38Å; R28-L31 VanDerWaalsContact O-N 3.15Å; T29-L31 VanDerWaalsContact C-N 3.27Å; T29-L31 PolarHBondContact O-N 2.96Å; L31-Q33 VanDerWaalsContact C-N 3.3Å; L31-Q33 PolarHBondContact O-N 3.06Å; L31-A34 PolarHBondContact O-N 3.15Å; L31-F35 HydrophobicContact CD1-CE2 4.36Å; L31-F35 HydrophobicContact CD2-CD2 3.51Å; L31-F35 HydrophobicContact CD2-CE2 3.62Å; L31-F35 HydrophobicContact CG-CD2 3.82Å; L31-F35 HydrophobicContact CG-CE2 3.8Å; L31-F35 WeakPolarHBondContact O-CD2 3.35Å; L31-F35 PolarHBondContact O-N 2.98Å; L31-F156 HydrophobicContact CD1-CD1 4.43Å; L31-F156 HydrophobicContact CD1-CE1 4.22Å; L31-F156 HydrophobicContact CD1-CE2 4.34Å; L31-F156 HydrophobicContact CD1-CZ 4.17Å; L31-V160 HydrophobicContact CD2-CG2 4.36Å; L31-L180 HydrophobicContact CD1-CD1 4.28Å; L31-F184 HydrophobicContact CD1-CE2 4.14Å; L31-L287 HydrophobicContact CB-CD2 4.24Å |
| 32 | S | 92.8 | Very high | 89.9 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.007 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.8 | -43.8 | 173.9 | -67.5 | 0 | 0 | 0 | 0 | 111.8 | R28 T29 F35 N36 M163 | R28-S32 PolarHBondContact O-N 2.58Å; R28-S32 PolarHBondContact O-OG 3.12Å; T29-S32 PolarHBondContact O-N 3.38Å; S32-F35 PolarHBondContact O-N 3.25Å; S32-N36 WeakPolarHBondContact O-CB 3.16Å; S32-N36 PolarHBondContact O-N 2.82Å; S32-M163 WeakPolarHBondContact O-CE 3.47Å |
| 33 | Q | 93.3 | Very high | 90.4 | Very high | 95 Ų | 95 | 55.8 Ų | 55.8 | 44% | 0.444 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.8 | -48.4 | 174.5 | -71.5 | 172.4 | -20.5 | 0 | 0 | 111.7 | T29 L31 F35 N36 H37 | T29-Q33 WeakPolarHBondContact O-CG 3.33Å; T29-Q33 PolarHBondContact O-N 3.13Å; L31-Q33 VanDerWaalsContact C-N 3.3Å; L31-Q33 PolarHBondContact O-N 3.06Å; Q33-F35 VanDerWaalsContact C-N 3.35Å; Q33-F35 PolarHBondContact O-N 2.86Å; Q33-N36 WeakPolarHBondContact O-CA 3.33Å; Q33-N36 VanDerWaalsContact O-CB 3.25Å; Q33-N36 WeakPolarHBondContact O-CB 3.47Å; Q33-N36 PolarHBondContact O-N 3.15Å; Q33-H37 PolarHBondContact O-N 3.35Å |
| 34 | A | 96.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.7 | -41.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K30 L31 N36 H37 N281 E283 L284 | K30-A34 WeakPolarHBondContact O-CB 3.17Å; K30-A34 PolarHBondContact O-N 3.4Å; L31-A34 PolarHBondContact O-N 3.15Å; A34-N36 VanDerWaalsContact C-N 3.27Å; A34-N36 PolarHBondContact O-N 3.47Å; A34-H37 WeakPolarHBondContact O-CB 3.49Å; A34-H37 PolarHBondContact O-N 2.82Å; A34-N281 PolarHBondContact O-ND2 3.17Å; A34-E283 HydrophobicContact CB-CB 3.89Å; A34-L284 HydrophobicContact CB-CB 3.98Å; A34-L284 HydrophobicContact CB-CD1 4.23Å |
| 35 | F | 97.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69 | -25.5 | 174.7 | -86.7 | -91.6 | 0 | 0 | 0 | 112.7 | L31 S32 Q33 H37 W38 L39 V160 M163 L173 L176 L177 L180 L284 | L31-F35 HydrophobicContact CD1-CE2 4.36Å; L31-F35 HydrophobicContact CD2-CD2 3.51Å; L31-F35 HydrophobicContact CD2-CE2 3.62Å; L31-F35 HydrophobicContact CG-CD2 3.82Å; L31-F35 HydrophobicContact CG-CE2 3.8Å; L31-F35 WeakPolarHBondContact O-CD2 3.35Å; L31-F35 PolarHBondContact O-N 2.98Å; S32-F35 PolarHBondContact O-N 3.25Å; Q33-F35 VanDerWaalsContact C-N 3.35Å; Q33-F35 PolarHBondContact O-N 2.86Å; F35-H37 PolarHBondContact O-N 3.41Å; F35-W38 HydrophobicContact CD1-CE3 4Å; F35-W38 HydrophobicContact CD1-CZ3 4.02Å; F35-W38 HydrophobicContact CE1-CE3 4.35Å; F35-W38 AromaticContact CE1-CZ3 3.96Å; F35-W38 HydrophobicContact CE1-CZ3 3.96Å; F35-W38 PolarHBondContact O-N 3.25Å; F35-W38 VanDerWaalsContact O-N 3.11Å; F35-L39 HydrophobicContact CB-CD1 4.24Å; F35-L39 WeakPolarHBondContact O-CG 3.27Å; F35-L39 PolarHBondContact O-N 2.84Å; F35-V160 HydrophobicContact CB-CG2 4.13Å; F35-V160 HydrophobicContact CD1-CG1 4.1Å; F35-V160 HydrophobicContact CD1-CG2 3.91Å; F35-V160 HydrophobicContact CD2-CG2 4.05Å; F35-V160 HydrophobicContact CE1-CG1 4.42Å; F35-V160 HydrophobicContact CE1-CG2 4.31Å; F35-V160 HydrophobicContact CE2-CG2 4.45Å; F35-V160 HydrophobicContact CG-CG2 3.76Å; F35-M163 HydrophobicContact CB-CE 4.18Å; F35-L173 HydrophobicContact CD1-CD1 3.95Å; F35-L173 HydrophobicContact CE1-CB 4.36Å; F35-L173 HydrophobicContact CE1-CD1 4.18Å; F35-L173 HydrophobicContact CE1-CD2 4.22Å; F35-L173 HydrophobicContact CE1-CG 4.49Å; F35-L176 HydrophobicContact CE1-CD2 4.26Å; F35-L176 HydrophobicContact CZ-CD2 4.12Å; F35-L176 HydrophobicContact CZ-CG 4.31Å; F35-L177 HydrophobicContact CE1-CD2 3.99Å; F35-L177 HydrophobicContact CE1-CG 4.43Å; F35-L177 HydrophobicContact CE2-CD2 4.02Å; F35-L177 HydrophobicContact CZ-CD2 3.52Å; F35-L177 HydrophobicContact CZ-CG 4.24Å; F35-L180 HydrophobicContact CE2-CD1 3.81Å; F35-L180 HydrophobicContact CZ-CD1 3.88Å; F35-L284 HydrophobicContact CE2-CD1 4.27Å; F35-L284 HydrophobicContact CE2-CD2 3.98Å; F35-L284 HydrophobicContact CZ-CD2 4.14Å |
| 36 | N | 97.8 | Very high | 93.9 | Very high | 33 Ų | 33 | 50.8 Ų | 50.8 | 18% | 0.176 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.2 | -18.8 | 175.5 | -154.1 | 45.4 | 0 | 0 | 0 | 112.9 | S32 Q33 A34 W38 L39 K40 V41 L46 M163 | S32-N36 WeakPolarHBondContact O-CB 3.16Å; S32-N36 PolarHBondContact O-N 2.82Å; Q33-N36 WeakPolarHBondContact O-CA 3.33Å; Q33-N36 VanDerWaalsContact O-CB 3.25Å; Q33-N36 WeakPolarHBondContact O-CB 3.47Å; Q33-N36 PolarHBondContact O-N 3.15Å; A34-N36 VanDerWaalsContact C-N 3.27Å; A34-N36 PolarHBondContact O-N 3.47Å; N36-W38 PolarHBondContact O-N 2.91Å; N36-L39 PolarHBondContact O-N 3.43Å; N36-K40 PolarHBondContact O-N 3.27Å; N36-K40 PolarHBondContact OD1-N 3.44Å; N36-V41 WeakPolarHBondContact OD1-CB 3.39Å; N36-V41 PolarHBondContact OD1-N 3.05Å; N36-L46 HydrophobicContact CB-CD2 4.25Å; N36-L46 WeakPolarHBondContact ND2-CD2 3.43Å; N36-M163 HydrophobicContact CB-CE 3.81Å |
| 37 | H | 97.7 | Very high | 94.8 | Very high | 78 Ų | 78 | 48.8 Ų | 48.8 | 36% | 0.361 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -50.3 | -42.9 | 167.6 | -176.9 | 80.1 | 0 | 0 | 0 | 112.3 | Q33 A34 F35 | Q33-H37 PolarHBondContact O-N 3.35Å; A34-H37 WeakPolarHBondContact O-CB 3.49Å; A34-H37 PolarHBondContact O-N 2.82Å; F35-H37 PolarHBondContact O-N 3.41Å |
| 38 | W | 98.4 | Very high | 95.5 | Very high | 20 Ų | 20 | 49 Ų | 49 | 8% | 0.076 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -88.2 | -44.6 | 175.9 | -64.1 | -50 | 0 | 0 | 0 | 112.1 | F35 N36 Y169 L173 L176 I275 R278 G280 N281 L284 | F35-W38 HydrophobicContact CD1-CE3 4Å; F35-W38 HydrophobicContact CD1-CZ3 4.02Å; F35-W38 HydrophobicContact CE1-CE3 4.35Å; F35-W38 AromaticContact CE1-CZ3 3.96Å; F35-W38 HydrophobicContact CE1-CZ3 3.96Å; F35-W38 PolarHBondContact O-N 3.25Å; F35-W38 VanDerWaalsContact O-N 3.11Å; N36-W38 PolarHBondContact O-N 2.91Å; W38-Y169 HydrophobicContact CB-CD1 4.4Å; W38-Y169 HydrophobicContact CB-CD2 4.24Å; W38-Y169 HydrophobicContact CB-CE1 4.29Å; W38-Y169 HydrophobicContact CB-CE2 4.15Å; W38-Y169 HydrophobicContact CB-CG 4.37Å; W38-Y169 HydrophobicContact CG-CE2 4.41Å; W38-L173 HydrophobicContact CE3-CD2 4.08Å; W38-L173 HydrophobicContact CZ3-CD2 4.23Å; W38-L176 HydrophobicContact CH2-CD2 3.65Å; W38-L176 HydrophobicContact CZ3-CD2 3.74Å; W38-I275 HydrophobicContact CH2-CG1 4.19Å; W38-I275 HydrophobicContact CH2-CG2 4.35Å; W38-I275 HydrophobicContact CZ2-CG2 4.2Å; W38-R278 HydrophobicContact CH2-CB 4.48Å; W38-R278 HydrophobicContact CZ2-CB 3.8Å; W38-R278 PolarHBondContact NE1-O 2.89Å; W38-G280 PolarHBondContact NE1-O 2.86Å; W38-G280 VanDerWaalsContact NE1-O 3.09Å; W38-N281 HydrophobicContact CH2-CB 3.8Å; W38-N281 HydrophobicContact CZ2-CB 3.44Å; W38-N281 VanDerWaalsContact CZ2-CB 3.44Å; W38-N281 HydrophobicContact CZ3-CB 4.5Å; W38-L284 HydrophobicContact CH2-CD2 4.05Å; W38-L284 HydrophobicContact CZ3-CD2 4Å |
| 39 | L | 98.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -79.8 | -26 | -166.6 | -63.3 | 172.2 | 0 | 0 | 0 | 113.8 | F35 N36 V41 V160 M163 Q164 S167 Y169 L173 | F35-L39 HydrophobicContact CB-CD1 4.24Å; F35-L39 WeakPolarHBondContact O-CG 3.27Å; F35-L39 PolarHBondContact O-N 2.84Å; N36-L39 PolarHBondContact O-N 3.43Å; L39-V41 HydrophobicContact CB-CG2 3.93Å; L39-V41 PolarHBondContact O-N 3.36Å; L39-V41 VanDerWaalsContact O-N 3.12Å; L39-V160 HydrophobicContact CD1-CG1 4.03Å; L39-M163 HydrophobicContact CB-CE 4.3Å; L39-M163 HydrophobicContact CD1-CB 3.58Å; L39-M163 HydrophobicContact CD1-CE 3.78Å; L39-M163 HydrophobicContact CD1-CG 4.48Å; L39-M163 HydrophobicContact CD1-SD 4.2Å; L39-Q164 HydrophobicContact CD1-CG 4.39Å; L39-Q164 HydrophobicContact CD2-CG 3.7Å; L39-S167 WeakPolarHBondContact CA-OG 3.49Å; L39-S167 WeakPolarHBondContact O-CB 3.33Å; L39-S167 PolarHBondContact O-OG 2.96Å; L39-Y169 HydrophobicContact CD2-CD1 3.82Å; L39-Y169 HydrophobicContact CD2-CG 4.32Å; L39-L173 HydrophobicContact CD1-CD1 4.14Å; L39-L173 HydrophobicContact CD2-CD1 3.89Å; L39-L173 HydrophobicContact CG-CD1 4.26Å |
| 40 | K | 98.3 | Very high | 96.7 | Very high | 166 Ų | 166 | 46.5 Ų | 46.5 | 72% | 0.722 | 22% | 0.223 | S | C | * | . | trans | 47.5 | 42.8 | 175.5 | -57.4 | 179 | -177.7 | 176.5 | 0 | 113.4 | N36 | N36-K40 PolarHBondContact O-N 3.27Å; N36-K40 PolarHBondContact OD1-N 3.44Å | ||
| 41 | V | 98.4 | Very high | 96.9 | Very high | 6 Ų | 6 | 44.8 Ų | 44.8 | 4% | 0.036 | 22% | 0.217 | C | C | . | . | trans | -65.8 | 139.8 | 179.9 | 179.9 | 0 | 0 | 0 | 0 | 109.5 | N36 L39 E43 K45 L46 I49 M163 F166 | N36-V41 WeakPolarHBondContact OD1-CB 3.39Å; N36-V41 PolarHBondContact OD1-N 3.05Å; L39-V41 HydrophobicContact CB-CG2 3.93Å; L39-V41 PolarHBondContact O-N 3.36Å; L39-V41 VanDerWaalsContact O-N 3.12Å; V41-E43 PolarHBondContact O-N 3.18Å; V41-K45 HydrophobicContact CG1-CB 3.89Å; V41-L46 HydrophobicContact CB-CB 4.43Å; V41-L46 HydrophobicContact CG1-CB 4.19Å; V41-I49 HydrophobicContact CG1-CD1 4.48Å; V41-M163 HydrophobicContact CG2-CB 3.68Å; V41-M163 HydrophobicContact CG2-CE 4.35Å; V41-M163 HydrophobicContact CG2-CG 4.09Å; V41-M163 WeakPolarHBondContact CG2-O 3.37Å; V41-F166 HydrophobicContact CG1-CB 3.98Å | ||
| 42 | P | 98.1 | Very high | 97.2 | Very high | 65 Ų | 65 | 44.7 Ų | 44.7 | 42% | 0.422 | 22% | 0.217 | S | C | . | . | trans | -53.3 | 136.9 | 171.5 | -27.2 | 36 | 0 | 0 | 0 | 112.2 | D44 K45 L46 | P42-D44 VanDerWaalsContact C-N 3.28Å; P42-D44 VanDerWaalsContact CB-OD1 3.23Å; P42-D44 WeakPolarHBondContact CB-OD1 3.25Å; P42-D44 PolarHBondContact O-N 2.99Å; P42-K45 HydrophobicContact CB-CG 4.34Å; P42-K45 PolarHBondContact O-N 3.45Å; P42-L46 PolarHBondContact O-N 3.02Å | ||
| 43 | E | 97.1 | Very high | 97.3 | Very high | 129 Ų | 129 | 44.7 Ų | 44.7 | 60% | 0.603 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -57.9 | -38.8 | -171.1 | -172.8 | 61.9 | -157.8 | 0 | 0 | 113 | V41 K45 L46 Q47 | V41-E43 PolarHBondContact O-N 3.18Å; E43-K45 VanDerWaalsContact C-N 3.31Å; E43-K45 PolarHBondContact O-N 3.3Å; E43-L46 PolarHBondContact O-N 3.14Å; E43-Q47 WeakPolarHBondContact O-CB 3.48Å; E43-Q47 PolarHBondContact O-N 2.8Å |
| 44 | D | 97.2 | Very high | 97.3 | Very high | 98 Ų | 98 | 41.9 Ų | 41.9 | 52% | 0.524 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.8 | -39.9 | 177.4 | 64.7 | -56.9 | 0 | 0 | 0 | 112 | P42 I48 | P42-D44 VanDerWaalsContact C-N 3.28Å; P42-D44 VanDerWaalsContact CB-OD1 3.23Å; P42-D44 WeakPolarHBondContact CB-OD1 3.25Å; P42-D44 PolarHBondContact O-N 2.99Å; D44-I48 WeakPolarHBondContact O-CD1 3.38Å; D44-I48 WeakPolarHBondContact O-CG1 3.35Å |
| 45 | K | 98.3 | Very high | 97.3 | Very high | 41 Ų | 41 | 43.2 Ų | 43.2 | 18% | 0.178 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -75.5 | -41.8 | 176.9 | -57.1 | -59.5 | 177.4 | 173.8 | 0 | 111.4 | V41 P42 E43 Q47 I48 I49 L106 F166 | V41-K45 HydrophobicContact CG1-CB 3.89Å; P42-K45 HydrophobicContact CB-CG 4.34Å; P42-K45 PolarHBondContact O-N 3.45Å; E43-K45 VanDerWaalsContact C-N 3.31Å; E43-K45 PolarHBondContact O-N 3.3Å; K45-Q47 VanDerWaalsContact C-N 3.33Å; K45-Q47 PolarHBondContact O-N 3.36Å; K45-I48 PolarHBondContact O-N 3.34Å; K45-I49 WeakPolarHBondContact O-CD1 3.36Å; K45-I49 VanDerWaalsContact O-CG1 3.25Å; K45-I49 WeakPolarHBondContact O-CG1 3.48Å; K45-I49 PolarHBondContact O-N 3.46Å; K45-L106 HydrophobicContact CB-CD2 4.37Å; K45-L106 HydrophobicContact CD-CD2 4.07Å; K45-L106 PolarHBondContact NZ-O 3.31Å; K45-F166 HydrophobicContact CB-CD2 4.31Å; K45-F166 HydrophobicContact CB-CG 4.29Å; K45-F166 HydrophobicContact CD-CD1 4.37Å; K45-F166 HydrophobicContact CD-CE1 4.04Å; K45-F166 HydrophobicContact CD-CZ 4.21Å; K45-F166 HydrophobicContact CG-CD1 4.05Å; K45-F166 HydrophobicContact CG-CE1 4.24Å; K45-F166 HydrophobicContact CG-CG 4.24Å |
| 46 | L | 97.8 | Very high | 97.2 | Very high | 6 Ų | 6 | 43.4 Ų | 43.4 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.3 | -44.6 | 178.5 | -178.9 | 62.2 | 0 | 0 | 0 | 111.5 | N36 V41 P42 E43 I48 I49 I50 M163 | N36-L46 HydrophobicContact CB-CD2 4.25Å; N36-L46 WeakPolarHBondContact ND2-CD2 3.43Å; V41-L46 HydrophobicContact CB-CB 4.43Å; V41-L46 HydrophobicContact CG1-CB 4.19Å; P42-L46 PolarHBondContact O-N 3.02Å; E43-L46 PolarHBondContact O-N 3.14Å; L46-I48 PolarHBondContact O-N 2.91Å; L46-I49 PolarHBondContact O-N 3.21Å; L46-I50 HydrophobicContact CD1-CD1 4.15Å; L46-I50 HydrophobicContact CD1-CG1 4.34Å; L46-I50 HydrophobicContact CG-CD1 3.89Å; L46-I50 HydrophobicContact CG-CG1 4.48Å; L46-I50 WeakPolarHBondContact O-CG1 3.42Å; L46-I50 PolarHBondContact O-N 2.86Å; L46-M163 HydrophobicContact CD1-CE 3.83Å; L46-M163 HydrophobicContact CD1-CG 4.27Å; L46-M163 HydrophobicContact CD1-SD 4.24Å |
| 47 | Q | 97.1 | Very high | 97.1 | Very high | 83 Ų | 83 | 43.1 Ų | 43.1 | 39% | 0.388 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.6 | -44.2 | 178.9 | -177.5 | 57.1 | 35.1 | 0 | 0 | 111.8 | E43 K45 I49 I50 E51 | E43-Q47 WeakPolarHBondContact O-CB 3.48Å; E43-Q47 PolarHBondContact O-N 2.8Å; K45-Q47 VanDerWaalsContact C-N 3.33Å; K45-Q47 PolarHBondContact O-N 3.36Å; Q47-I49 VanDerWaalsContact C-N 3.34Å; Q47-I49 PolarHBondContact O-N 3.18Å; Q47-I50 PolarHBondContact O-N 3.41Å; Q47-E51 PolarHBondContact NE2-OE1 3.43Å; Q47-E51 WeakPolarHBondContact O-CG 3.28Å; Q47-E51 PolarHBondContact O-N 3.19Å |
| 48 | I | 98.1 | Very high | 97 | Very high | 31 Ų | 31 | 39.6 Ų | 39.6 | 16% | 0.159 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.6 | -43.1 | 175.6 | -65.1 | 166.4 | 0 | 0 | 0 | 110.8 | D44 K45 L46 E51 V52 K102 L106 | D44-I48 WeakPolarHBondContact O-CD1 3.38Å; D44-I48 WeakPolarHBondContact O-CG1 3.35Å; K45-I48 PolarHBondContact O-N 3.34Å; L46-I48 PolarHBondContact O-N 2.91Å; I48-E51 PolarHBondContact O-N 3Å; I48-V52 HydrophobicContact CG2-CG2 4.47Å; I48-V52 WeakPolarHBondContact O-CG2 3.36Å; I48-V52 PolarHBondContact O-N 3.36Å; I48-K102 HydrophobicContact CG2-CG 4Å; I48-L106 HydrophobicContact CB-CD2 3.77Å; I48-L106 HydrophobicContact CD1-CD2 4.27Å; I48-L106 HydrophobicContact CG2-CD1 4.47Å; I48-L106 HydrophobicContact CG2-CD2 3.56Å; I48-L106 HydrophobicContact CG2-CG 3.74Å |
| 49 | I | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.3 | -42 | 179.6 | -66.5 | 163.7 | 0 | 0 | 0 | 111.4 | V41 K45 L46 Q47 V52 T53 L106 L162 M163 F166 | V41-I49 HydrophobicContact CG1-CD1 4.48Å; K45-I49 WeakPolarHBondContact O-CD1 3.36Å; K45-I49 VanDerWaalsContact O-CG1 3.25Å; K45-I49 WeakPolarHBondContact O-CG1 3.48Å; K45-I49 PolarHBondContact O-N 3.46Å; L46-I49 PolarHBondContact O-N 3.21Å; Q47-I49 VanDerWaalsContact C-N 3.34Å; Q47-I49 PolarHBondContact O-N 3.18Å; I49-V52 PolarHBondContact O-N 3.16Å; I49-T53 WeakPolarHBondContact O-CB 3.44Å; I49-T53 PolarHBondContact O-N 2.68Å; I49-T53 PolarHBondContact O-OG1 3.41Å; I49-L106 HydrophobicContact CG1-CD1 4.04Å; I49-L106 HydrophobicContact CG1-CD2 4.03Å; I49-L162 HydrophobicContact CD1-CB 3.91Å; I49-L162 HydrophobicContact CG1-CB 3.86Å; I49-L162 HydrophobicContact CG1-CD1 4.39Å; I49-L162 HydrophobicContact CG2-CB 4.05Å; I49-L162 HydrophobicContact CG2-CD1 4.33Å; I49-M163 HydrophobicContact CD1-CG 3.97Å; I49-M163 HydrophobicContact CG2-CG 4.13Å; I49-F166 HydrophobicContact CD1-CD2 4.3Å |
| 50 | I | 96.1 | Very high | 96.8 | Very high | 17 Ų | 17 | 39.7 Ų | 39.7 | 9% | 0.087 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.9 | -47.2 | 176.1 | -70.9 | 169 | 0 | 0 | 0 | 109.9 | T29 L46 Q47 V52 T53 E54 | T29-I50 HydrophobicContact CG2-CD1 4.49Å; T29-I50 HydrophobicContact CG2-CG2 4.05Å; L46-I50 HydrophobicContact CD1-CD1 4.15Å; L46-I50 HydrophobicContact CD1-CG1 4.34Å; L46-I50 HydrophobicContact CG-CD1 3.89Å; L46-I50 HydrophobicContact CG-CG1 4.48Å; L46-I50 WeakPolarHBondContact O-CG1 3.42Å; L46-I50 PolarHBondContact O-N 2.86Å; Q47-I50 PolarHBondContact O-N 3.41Å; I50-V52 PolarHBondContact O-N 3.03Å; I50-T53 PolarHBondContact O-N 3.35Å; I50-E54 HydrophobicContact CG2-CG 4.4Å; I50-E54 WeakPolarHBondContact O-CG 3.3Å; I50-E54 PolarHBondContact O-N 3.21Å |
| 51 | E | 96.3 | Very high | 96.6 | Very high | 67 Ų | 67 | 32.6 Ų | 32.6 | 31% | 0.313 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -59.2 | -47.5 | 178.3 | -75.2 | 173.7 | -161.7 | 0 | 0 | 112.3 | Q47 I48 T53 E54 M55 K102 | Q47-E51 PolarHBondContact NE2-OE1 3.43Å; Q47-E51 WeakPolarHBondContact O-CG 3.28Å; Q47-E51 PolarHBondContact O-N 3.19Å; I48-E51 PolarHBondContact O-N 3Å; E51-T53 VanDerWaalsContact C-N 3.32Å; E51-T53 PolarHBondContact O-N 2.96Å; E51-E54 PolarHBondContact O-N 2.66Å; E51-M55 WeakPolarHBondContact O-CB 3.49Å; E51-M55 WeakPolarHBondContact O-CG 3.42Å; E51-M55 PolarHBondContact O-N 3.21Å; E51-K102 HydrophobicContact CB-CD 3.86Å; E51-K102 WeakPolarHBondContact OE2-CE 3.43Å; E51-K102 IonicContact OE2-NZ 3.13Å; E51-K102 PolarHBondContact OE2-NZ 3.37Å |
| 52 | V | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.7 | -47.5 | 175.5 | 168.4 | 0 | 0 | 0 | 0 | 110.6 | I48 I49 I50 E54 M55 L56 K102 V103 | I48-V52 HydrophobicContact CG2-CG2 4.47Å; I48-V52 WeakPolarHBondContact O-CG2 3.36Å; I48-V52 PolarHBondContact O-N 3.36Å; I49-V52 PolarHBondContact O-N 3.16Å; I50-V52 PolarHBondContact O-N 3.03Å; V52-E54 PolarHBondContact O-N 2.79Å; V52-M55 PolarHBondContact O-N 3.2Å; V52-L56 HydrophobicContact CG1-CD1 3.96Å; V52-L56 HydrophobicContact CG1-CG 4.42Å; V52-L56 VanDerWaalsContact O-CG 3.29Å; V52-L56 WeakPolarHBondContact O-CG 3.04Å; V52-L56 PolarHBondContact O-N 3.48Å; V52-K102 HydrophobicContact CG2-CB 3.91Å; V52-K102 HydrophobicContact CG2-CD 4.14Å; V52-K102 HydrophobicContact CG2-CG 3.74Å; V52-V103 HydrophobicContact CB-CG2 4.19Å; V52-V103 HydrophobicContact CG1-CG2 3.48Å; V52-V103 VanDerWaalsContact CG1-CG2 3.48Å; V52-V103 HydrophobicContact CG2-CG2 3.67Å |
| 53 | T | 95.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63 | -43.8 | -176.9 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | R28 I49 I50 E51 H57 L155 A159 | R28-T53 HydrophobicContact CB-CG2 4.26Å; I49-T53 WeakPolarHBondContact O-CB 3.44Å; I49-T53 PolarHBondContact O-N 2.68Å; I49-T53 PolarHBondContact O-OG1 3.41Å; I50-T53 PolarHBondContact O-N 3.35Å; E51-T53 VanDerWaalsContact C-N 3.32Å; E51-T53 PolarHBondContact O-N 2.96Å; T53-H57 VanDerWaalsContact O-CB 3.28Å; T53-H57 WeakPolarHBondContact O-CB 3.38Å; T53-H57 PolarHBondContact O-N 3.48Å; T53-L155 HydrophobicContact CG2-CG 4.31Å; T53-A159 HydrophobicContact CG2-CB 3.93Å; T53-A159 WeakPolarHBondContact OG1-CB 3.27Å |
| 54 | E | 93.9 | Very high | 96.6 | Very high | 36 Ų | 36 | 25.6 Ų | 25.6 | 17% | 0.168 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -70.2 | -36.7 | 177.6 | -68.4 | -66.3 | 158.4 | 0 | 0 | 111.9 | T29 I50 E51 V52 H57 N58 | T29-E54 PolarHBondContact N-OE1 2.95Å; T29-E54 PolarHBondContact OG1-OE1 2.86Å; I50-E54 HydrophobicContact CG2-CG 4.4Å; I50-E54 WeakPolarHBondContact O-CG 3.3Å; I50-E54 PolarHBondContact O-N 3.21Å; E51-E54 PolarHBondContact O-N 2.66Å; V52-E54 PolarHBondContact O-N 2.79Å; E54-H57 PolarHBondContact O-N 3.34Å; E54-N58 PolarHBondContact O-N 2.97Å; E54-N58 PolarHBondContact O-ND2 3.36Å |
| 55 | M | 96.4 | Very high | 96.5 | Very high | 28 Ų | 28 | 21 Ų | 21 | 14% | 0.138 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.5 | -52 | 173.6 | -76.7 | 173.3 | 69 | 0 | 0 | 111.6 | Y16 E51 V52 H57 N58 A59 V95 L98 K102 | Y16-M55 WeakPolarHBondContact OH-CA 3.38Å; E51-M55 WeakPolarHBondContact O-CB 3.49Å; E51-M55 WeakPolarHBondContact O-CG 3.42Å; E51-M55 PolarHBondContact O-N 3.21Å; V52-M55 PolarHBondContact O-N 3.2Å; M55-H57 VanDerWaalsContact C-N 3.35Å; M55-H57 PolarHBondContact O-N 3.23Å; M55-N58 PolarHBondContact O-N 3.02Å; M55-A59 VanDerWaalsContact O-CB 3.23Å; M55-A59 WeakPolarHBondContact O-CB 3.22Å; M55-A59 PolarHBondContact O-N 2.72Å; M55-V95 HydrophobicContact CB-CG1 4.02Å; M55-V95 HydrophobicContact CE-CG1 4.13Å; M55-V95 HydrophobicContact CG-CG1 4.49Å; M55-L98 HydrophobicContact CE-CB 3.5Å; M55-L98 VanDerWaalsContact CE-CB 3.5Å; M55-K102 HydrophobicContact SD-CD 3.96Å |
| 56 | L | 96.3 | Very high | 96.5 | Very high | 4 Ų | 4 | 20.5 Ų | 20.5 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.7 | -38.5 | 178.9 | -64.9 | 175.9 | 0 | 0 | 0 | 112 | V52 A59 S60 Y96 F115 L119 L155 L158 | V52-L56 HydrophobicContact CG1-CD1 3.96Å; V52-L56 HydrophobicContact CG1-CG 4.42Å; V52-L56 VanDerWaalsContact O-CG 3.29Å; V52-L56 WeakPolarHBondContact O-CG 3.04Å; V52-L56 PolarHBondContact O-N 3.48Å; L56-A59 PolarHBondContact O-N 3.4Å; L56-S60 WeakPolarHBondContact O-CB 3.45Å; L56-S60 PolarHBondContact O-N 3Å; L56-Y96 HydrophobicContact CD2-CD1 3.61Å; L56-Y96 HydrophobicContact CD2-CE1 4.3Å; L56-Y96 HydrophobicContact CD2-CG 4.5Å; L56-F115 HydrophobicContact CD1-CD2 4.31Å; L56-F115 HydrophobicContact CD1-CE2 3.77Å; L56-F115 HydrophobicContact CD2-CE2 4.07Å; L56-F115 HydrophobicContact CD2-CZ 4.28Å; L56-F115 HydrophobicContact CG-CE2 4.42Å; L56-L119 HydrophobicContact CD1-CD1 3.99Å; L56-L155 HydrophobicContact CB-CD1 3.91Å; L56-L155 HydrophobicContact CD1-CD1 4.09Å; L56-L158 HydrophobicContact CD1-CD2 3.16Å |
| 57 | H | 94.1 | Very high | 96.5 | Very high | 27 Ų | 27 | 23.7 Ų | 23.7 | 13% | 0.125 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.5 | -49.6 | 177.2 | 178.9 | 35.1 | 0 | 0 | 0 | 111.9 | R28 T53 E54 M55 S60 L61 L155 | R28-H57 VanDerWaalsContact CZ-CE1 3.46Å; R28-H57 PolarHBondContact NH1-CE1 2.94Å; R28-H57 PolarHBondContact NH1-ND1 2.79Å; R28-H57 PolarHBondContact NH1-NE2 3.23Å; T53-H57 VanDerWaalsContact O-CB 3.28Å; T53-H57 WeakPolarHBondContact O-CB 3.38Å; T53-H57 PolarHBondContact O-N 3.48Å; E54-H57 PolarHBondContact O-N 3.34Å; M55-H57 VanDerWaalsContact C-N 3.35Å; M55-H57 PolarHBondContact O-N 3.23Å; H57-S60 PolarHBondContact O-N 3.4Å; H57-S60 PolarHBondContact O-OG 2.9Å; H57-L61 WeakPolarHBondContact O-CG 3.47Å; H57-L61 PolarHBondContact O-N 3.23Å; H57-L155 HydrophobicContact CB-CD2 3.7Å |
| 58 | N | 95.3 | Very high | 96.4 | Very high | 5 Ų | 5 | 20.2 Ų | 20.2 | 3% | 0.027 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -72.4 | -34.2 | -178 | -69.2 | -71.8 | 0 | 0 | 0 | 110.9 | Y16 L19 L20 E54 M55 L61 L62 R74 | Y16-N58 HydrophobicContact CD2-CB 4.35Å; Y16-N58 HydrophobicContact CE2-CB 3.58Å; L19-N58 HydrophobicContact CD2-CB 3.91Å; L19-N58 WeakPolarHBondContact CD2-O 3.3Å; L20-N58 HydrophobicContact CD2-CB 4.19Å; E54-N58 PolarHBondContact O-N 2.97Å; E54-N58 PolarHBondContact O-ND2 3.36Å; M55-N58 PolarHBondContact O-N 3.02Å; N58-L61 PolarHBondContact O-N 2.89Å; N58-L62 WeakPolarHBondContact O-CG 3.38Å; N58-L62 PolarHBondContact O-N 3.07Å; N58-R74 PolarHBondContact OD1-NH2 3.14Å |
| 59 | A | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.3 | -41.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | M55 L56 L61 L62 I63 V95 Y96 | M55-A59 VanDerWaalsContact O-CB 3.23Å; M55-A59 WeakPolarHBondContact O-CB 3.22Å; M55-A59 PolarHBondContact O-N 2.72Å; L56-A59 PolarHBondContact O-N 3.4Å; A59-L61 VanDerWaalsContact C-N 3.35Å; A59-L61 PolarHBondContact O-N 3.21Å; A59-L62 WeakPolarHBondContact O-CB 3.39Å; A59-L62 PolarHBondContact O-N 3.23Å; A59-I63 PolarHBondContact O-N 3.45Å; A59-V95 HydrophobicContact CB-CB 4.01Å; A59-V95 HydrophobicContact CB-CG1 3.89Å; A59-Y96 HydrophobicContact CB-CD1 3.65Å; A59-Y96 HydrophobicContact CB-CE1 3.54Å |
| 60 | S | 96 | Very high | 95.9 | Very high | 24 Ų | 24 | 23.4 Ų | 23.4 | 17% | 0.168 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.1 | -37.2 | 177.8 | 81 | 0 | 0 | 0 | 0 | 112.1 | L56 H57 L62 I63 D64 Y96 | L56-S60 WeakPolarHBondContact O-CB 3.45Å; L56-S60 PolarHBondContact O-N 3Å; H57-S60 PolarHBondContact O-N 3.4Å; H57-S60 PolarHBondContact O-OG 2.9Å; S60-L62 VanDerWaalsContact C-N 3.3Å; S60-L62 PolarHBondContact O-N 3.24Å; S60-I63 PolarHBondContact O-N 3.39Å; S60-D64 WeakPolarHBondContact O-CB 3.34Å; S60-D64 PolarHBondContact O-N 2.73Å; S60-Y96 VanDerWaalsContact CA-OH 3.22Å; S60-Y96 WeakPolarHBondContact CA-OH 3.44Å; S60-Y96 WeakPolarHBondContact CB-OH 3.34Å |
| 61 | L | 95.2 | Very high | 95.7 | Very high | 16 Ų | 16 | 26.2 Ų | 26.2 | 8% | 0.084 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61 | -38.1 | 174.4 | -71.2 | 174.9 | 0 | 0 | 0 | 112.5 | L19 H57 N58 A59 I63 D65 | L19-L61 HydrophobicContact CD2-CB 4.05Å; H57-L61 WeakPolarHBondContact O-CG 3.47Å; H57-L61 PolarHBondContact O-N 3.23Å; N58-L61 PolarHBondContact O-N 2.89Å; A59-L61 VanDerWaalsContact C-N 3.35Å; A59-L61 PolarHBondContact O-N 3.21Å; L61-I63 VanDerWaalsContact C-N 3.31Å; L61-I63 PolarHBondContact O-N 2.87Å; L61-D65 WeakPolarHBondContact O-CB 3.43Å; L61-D65 PolarHBondContact O-N 3.46Å |
| 62 | L | 97.9 | Very high | 95.5 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.3 | -37.8 | 176.4 | -68.4 | 175.1 | 0 | 0 | 0 | 112.5 | Y16 L19 N58 A59 S60 I66 A79 V88 A92 | Y16-L62 HydrophobicContact CD2-CD1 4.24Å; L19-L62 HydrophobicContact CB-CD2 4.12Å; L19-L62 HydrophobicContact CD2-CD2 3.83Å; L19-L62 HydrophobicContact CD2-CG 3.84Å; N58-L62 WeakPolarHBondContact O-CG 3.38Å; N58-L62 PolarHBondContact O-N 3.07Å; A59-L62 WeakPolarHBondContact O-CB 3.39Å; A59-L62 PolarHBondContact O-N 3.23Å; S60-L62 VanDerWaalsContact C-N 3.3Å; S60-L62 PolarHBondContact O-N 3.24Å; L62-I66 WeakPolarHBondContact O-CD1 3.49Å; L62-I66 WeakPolarHBondContact O-CG1 3.5Å; L62-A79 HydrophobicContact CD2-CB 3.55Å; L62-V88 HydrophobicContact CB-CG1 3.84Å; L62-V88 HydrophobicContact CD1-CG1 4.45Å; L62-V88 HydrophobicContact CD2-CG1 3.97Å; L62-V88 HydrophobicContact CG-CG1 4.31Å; L62-A92 HydrophobicContact CB-CB 3.82Å; L62-A92 HydrophobicContact CD1-CB 3.99Å |
| 63 | I | 98.3 | Very high | 95.2 | Very high | 22 Ų | 22 | 26.7 Ų | 26.7 | 11% | 0.113 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -75.2 | -48.7 | 177.5 | -65.6 | -62.1 | 0 | 0 | 0 | 110.6 | A59 S60 L61 D65 I66 E67 I89 A92 Y96 | A59-I63 PolarHBondContact O-N 3.45Å; S60-I63 PolarHBondContact O-N 3.39Å; L61-I63 VanDerWaalsContact C-N 3.31Å; L61-I63 PolarHBondContact O-N 2.87Å; I63-D65 PolarHBondContact O-N 3.18Å; I63-I66 WeakPolarHBondContact O-CA 3.41Å; I63-I66 WeakPolarHBondContact O-CB 3.46Å; I63-I66 PolarHBondContact O-N 3.36Å; I63-E67 VanDerWaalsContact CG2-CD 3.47Å; I63-E67 HydrophobicContact CG2-CG 4.06Å; I63-E67 WeakPolarHBondContact CG2-OE1 3.43Å; I63-E67 WeakPolarHBondContact O-CG 3.22Å; I63-E67 PolarHBondContact O-N 3.33Å; I63-I89 HydrophobicContact CD1-CB 4.44Å; I63-I89 HydrophobicContact CD1-CG1 4.33Å; I63-I89 HydrophobicContact CD1-CG2 4.42Å; I63-A92 HydrophobicContact CD1-CB 3.7Å; I63-A92 HydrophobicContact CG1-CB 3.65Å; I63-Y96 HydrophobicContact CG1-CE2 4.4Å |
| 64 | D | 95.8 | Very high | 94.8 | Very high | 30 Ų | 30 | 28.7 Ų | 28.7 | 16% | 0.16 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.2 | -47.2 | 179.8 | -170.8 | 75.8 | 0 | 0 | 0 | 110.9 | S60 I66 E67 D68 Q126 K151 | S60-D64 WeakPolarHBondContact O-CB 3.34Å; S60-D64 PolarHBondContact O-N 2.73Å; D64-I66 PolarHBondContact O-N 3.47Å; D64-I66 VanDerWaalsContact O-N 3.11Å; D64-E67 PolarHBondContact O-N 3.37Å; D64-E67 VanDerWaalsContact O-N 3.12Å; D64-D68 VanDerWaalsContact O-CB 3.26Å; D64-D68 WeakPolarHBondContact O-CB 3.35Å; D64-D68 VanDerWaalsContact O-CG 3.23Å; D64-D68 PolarHBondContact O-N 3.03Å; D64-Q126 PolarHBondContact OD1-NE2 3.45Å; D64-K151 IonicContact OD1-NZ 3.06Å; D64-K151 PolarHBondContact OD1-NZ 3.24Å |
| 65 | D | 96.4 | Very high | 94.4 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.011 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59 | -30.5 | 176.7 | -72.4 | -23.4 | 0 | 0 | 0 | 112.3 | L61 I63 N69 S70 R73 V78 H80 | L61-D65 WeakPolarHBondContact O-CB 3.43Å; L61-D65 PolarHBondContact O-N 3.46Å; I63-D65 PolarHBondContact O-N 3.18Å; D65-N69 PolarHBondContact O-N 2.92Å; D65-S70 PolarHBondContact O-N 3.1Å; D65-R73 IonicContact OD1-CZ 3.25Å; D65-R73 IonicContact OD1-NE 2.87Å; D65-R73 PolarHBondContact OD1-NE 3.25Å; D65-R73 IonicContact OD1-NH2 2.77Å; D65-R73 VanDerWaalsContact OD2-CD 3.26Å; D65-R73 WeakPolarHBondContact OD2-CD 3.5Å; D65-R73 IonicContact OD2-NE 2.97Å; D65-R73 PolarHBondContact OD2-NE 3.22Å; D65-V78 HydrophobicContact CB-CB 4.33Å; D65-V78 HydrophobicContact CB-CG1 3.88Å; D65-H80 PolarHBondContact O-CE1 3.04Å; D65-H80 VanDerWaalsContact O-CE1 3.26Å |
| 66 | I | 98 | Very high | 94.2 | Very high | 30 Ų | 30 | 31.5 Ų | 31.5 | 15% | 0.154 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -76.9 | -48.1 | 175.1 | -67.5 | 169.7 | 0 | 0 | 0 | 110.9 | L62 I63 D64 D68 N69 H80 I85 V88 I89 | L62-I66 WeakPolarHBondContact O-CD1 3.49Å; L62-I66 WeakPolarHBondContact O-CG1 3.5Å; I63-I66 WeakPolarHBondContact O-CA 3.41Å; I63-I66 WeakPolarHBondContact O-CB 3.46Å; I63-I66 PolarHBondContact O-N 3.36Å; D64-I66 PolarHBondContact O-N 3.47Å; D64-I66 VanDerWaalsContact O-N 3.11Å; I66-D68 PolarHBondContact O-N 3.47Å; I66-N69 PolarHBondContact O-N 3.29Å; I66-H80 HydrophobicContact CD1-CB 3.9Å; I66-H80 HydrophobicContact CG1-CB 3.63Å; I66-H80 WeakPolarHBondContact CG1-ND1 3.45Å; I66-I85 HydrophobicContact CD1-CG2 4.45Å; I66-I85 HydrophobicContact CG2-CG1 4.47Å; I66-I85 HydrophobicContact CG2-CG2 3.94Å; I66-V88 HydrophobicContact CD1-CB 3.91Å; I66-V88 HydrophobicContact CD1-CG1 3.77Å; I66-I89 HydrophobicContact CD1-CG1 3.71Å; I66-I89 HydrophobicContact CG2-CD1 4.46Å |
| 67 | E | 97.7 | Very high | 94.1 | Very high | 73 Ų | 73 | 34.1 Ų | 34.1 | 34% | 0.341 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59.4 | -29.8 | 179.4 | -70.7 | 174.5 | 160.3 | 0 | 0 | 111.9 | I63 D64 Q126 I130 R133 | I63-E67 VanDerWaalsContact CG2-CD 3.47Å; I63-E67 HydrophobicContact CG2-CG 4.06Å; I63-E67 WeakPolarHBondContact CG2-OE1 3.43Å; I63-E67 WeakPolarHBondContact O-CG 3.22Å; I63-E67 PolarHBondContact O-N 3.33Å; D64-E67 PolarHBondContact O-N 3.37Å; D64-E67 VanDerWaalsContact O-N 3.12Å; E67-Q126 WeakPolarHBondContact OE2-CG 3.42Å; E67-Q126 PolarHBondContact OE2-NE2 3.33Å; E67-I130 HydrophobicContact CB-CD1 4.14Å; E67-I130 HydrophobicContact CG-CD1 4.18Å; E67-R133 PolarHBondContact O-NH1 2.9Å; E67-R133 PolarHBondContact O-NH2 3.3Å |
| 68 | D | 94.4 | Very high | 94.2 | Very high | 10 Ų | 10 | 33 Ų | 33 | 5% | 0.053 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -3.4 | -176.6 | -62.7 | -9.1 | 0 | 0 | 0 | 112.9 | D64 I66 S70 R133 E210 | D64-D68 VanDerWaalsContact O-CB 3.26Å; D64-D68 WeakPolarHBondContact O-CB 3.35Å; D64-D68 VanDerWaalsContact O-CG 3.23Å; D64-D68 PolarHBondContact O-N 3.03Å; I66-D68 PolarHBondContact O-N 3.47Å; D68-S70 PolarHBondContact O-N 3.08Å; D68-R133 IonicContact OD1-CZ 3.64Å; D68-R133 IonicContact OD1-NH1 3.73Å; D68-R133 PolarHBondContact OD1-NH1 3.43Å; D68-E210 HydrophobicContact CB-CG 3.74Å; D68-E210 VanDerWaalsContact CG-CD 3.44Å |
| 69 | N | 93.9 | Very high | 94.4 | Very high | 91 Ų | 91 | 33 Ų | 33 | 49% | 0.487 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 36.4 | -174.7 | -175.5 | 32 | 0 | 0 | 0 | 112.5 | D65 I66 K71 | D65-N69 PolarHBondContact O-N 2.92Å; I66-N69 PolarHBondContact O-N 3.29Å; N69-K71 PolarHBondContact OD1-NZ 3.26Å; N69-K71 VanDerWaalsContact OD1-NZ 3.1Å |
| 70 | S | 92.6 | Very high | 94.4 | Very high | 6 Ų | 6 | 34 Ų | 34 | 4% | 0.042 | 18% | 0.18 | C | C | . | . | trans | -62 | 152.4 | -179.8 | -71.8 | 0 | 0 | 0 | 0 | 111.1 | D65 D68 V78 | D65-S70 PolarHBondContact O-N 3.1Å; D68-S70 PolarHBondContact O-N 3.08Å; S70-V78 WeakPolarHBondContact O-CG2 3.39Å | ||
| 71 | K | 91.9 | Very high | 94.5 | Very high | 76 Ų | 76 | 36.3 Ų | 36.3 | 33% | 0.33 | 20% | 0.196 | S | C | . | . | trans | -103.1 | -38.8 | 179.6 | -55 | -51.8 | -178.7 | -159.8 | 0 | 112.5 | N69 V78 E206 E239 | N69-K71 PolarHBondContact OD1-NZ 3.26Å; N69-K71 VanDerWaalsContact OD1-NZ 3.1Å; K71-V78 PolarHBondContact O-N 3.12Å; K71-E206 PolarHBondContact N-OE1 3.47Å; K71-E239 WeakPolarHBondContact CE-OE1 3.31Å; K71-E239 IonicContact NZ-OE1 3.98Å | ||
| 72 | L | 91.8 | Very high | 94.6 | Very high | 52 Ų | 52 | 39.7 Ų | 39.7 | 27% | 0.272 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 144.8 | -174.9 | -61.7 | 177.2 | 0 | 0 | 0 | 111.5 | F76 | L72-F76 CarbonylContact C-O 3.46Å; L72-F76 VanDerWaalsContact CA-O 3.25Å; L72-F76 WeakPolarHBondContact CA-O 3.41Å |
| 73 | R | 90.6 | Very high | 94.6 | Very high | 26 Ų | 26 | 42.8 Ų | 42.8 | 10% | 0.098 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 124.5 | 169.3 | 178.9 | 110.1 | -52.9 | -95.7 | 8.2 | 108.8 | L19 D65 G75 F76 V78 K202 | L19-R73 HydrophobicContact CD1-CG 3.83Å; D65-R73 IonicContact OD1-CZ 3.25Å; D65-R73 IonicContact OD1-NE 2.87Å; D65-R73 PolarHBondContact OD1-NE 3.25Å; D65-R73 IonicContact OD1-NH2 2.77Å; D65-R73 VanDerWaalsContact OD2-CD 3.26Å; D65-R73 WeakPolarHBondContact OD2-CD 3.5Å; D65-R73 IonicContact OD2-NE 2.97Å; D65-R73 PolarHBondContact OD2-NE 3.22Å; R73-G75 PolarHBondContact O-N 3.3Å; R73-G75 VanDerWaalsContact O-N 3.15Å; R73-F76 PolarHBondContact N-O 3.09Å; R73-F76 PolarHBondContact O-N 2.94Å; R73-V78 HydrophobicContact CB-CG1 4.29Å; R73-K202 VanDerWaalsContact NH2-CE 3.25Å |
| 74 | R | 86.1 | Confident | 94.6 | Very high | 42 Ų | 42 | 43.1 Ų | 43.1 | 16% | 0.158 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 29.4 | 178.7 | -61 | 169.6 | -175.5 | 169.9 | 13.2 | 112.8 | L19 L22 P23 N58 F76 N201 | L19-R74 PolarHBondContact O-NH1 3.21Å; L22-R74 HydrophobicContact CB-CB 4.15Å; L22-R74 HydrophobicContact CD1-CB 4.5Å; L22-R74 PolarHBondContact O-NH1 3.32Å; P23-R74 WeakPolarHBondContact O-CD 3.4Å; N58-R74 PolarHBondContact OD1-NH2 3.14Å; R74-F76 WeakPolarHBondContact O-CD2 3.37Å; R74-F76 VanDerWaalsContact O-CE2 3.26Å; R74-F76 WeakPolarHBondContact O-CE2 3.38Å; R74-N201 CarbonylContact C-O 3.5Å; R74-N201 PolarHBondContact N-O 3.42Å |
| 75 | G | 86.3 | Confident | 94.8 | Very high | 34 Ų | 34 | 45.7 Ų | 45.7 | 35% | 0.351 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | 2.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | R73 N201 | R73-G75 PolarHBondContact O-N 3.3Å; R73-G75 VanDerWaalsContact O-N 3.15Å; G75-N201 PolarHBondContact N-O 3.34Å |
| 76 | F | 91.6 | Very high | 94.9 | Very high | 90 Ų | 90 | 50.4 Ų | 50.4 | 40% | 0.395 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 158 | -178.2 | -58.7 | -92.9 | 0 | 0 | 0 | 111.2 | L22 L72 R73 R74 V78 | L22-F76 HydrophobicContact CB-CD2 4.23Å; L22-F76 HydrophobicContact CD1-CB 3.84Å; L22-F76 HydrophobicContact CD1-CD2 4.05Å; L22-F76 HydrophobicContact CD1-CG 4.22Å; L22-F76 HydrophobicContact CD2-CB 3.89Å; L22-F76 HydrophobicContact CD2-CD1 4.04Å; L22-F76 HydrophobicContact CD2-CD2 3.51Å; L22-F76 HydrophobicContact CD2-CE1 4.48Å; L22-F76 HydrophobicContact CD2-CE2 4.02Å; L22-F76 HydrophobicContact CD2-CG 3.53Å; L22-F76 HydrophobicContact CD2-CZ 4.47Å; L22-F76 HydrophobicContact CG-CB 4.5Å; L22-F76 HydrophobicContact CG-CD2 4.12Å; L22-F76 HydrophobicContact CG-CG 4.41Å; L72-F76 CarbonylContact C-O 3.46Å; L72-F76 VanDerWaalsContact CA-O 3.25Å; L72-F76 WeakPolarHBondContact CA-O 3.41Å; R73-F76 PolarHBondContact N-O 3.09Å; R73-F76 PolarHBondContact O-N 2.94Å; R74-F76 WeakPolarHBondContact O-CD2 3.37Å; R74-F76 VanDerWaalsContact O-CE2 3.26Å; R74-F76 WeakPolarHBondContact O-CE2 3.38Å; F76-V78 PolarHBondContact O-N 3.16Å |
| 77 | P | 95.2 | Very high | 94.9 | Very high | 59 Ų | 59 | 52 Ų | 52 | 38% | 0.383 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.5 | 138 | 174.6 | -25.2 | 34.3 | 0 | 0 | 0 | 112.2 | Y18 S81 I82 | Y18-P77 VanDerWaalsContact CE1-O 3.31Å; Y18-P77 WeakPolarHBondContact CE1-O 3.5Å; Y18-P77 PolarHBondContact OH-O 3.28Å; P77-S81 WeakPolarHBondContact CB-OG 3.29Å; P77-I82 HydrophobicContact CB-CD1 4.27Å; P77-I82 HydrophobicContact CB-CG1 4.39Å |
| 78 | V | 96.6 | Very high | 94.9 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | trans | -58.3 | 143.7 | 172.2 | -69.1 | 0 | 0 | 0 | 0 | 110.8 | D65 S70 K71 R73 F76 H80 S81 | D65-V78 HydrophobicContact CB-CB 4.33Å; D65-V78 HydrophobicContact CB-CG1 3.88Å; S70-V78 WeakPolarHBondContact O-CG2 3.39Å; K71-V78 PolarHBondContact O-N 3.12Å; R73-V78 HydrophobicContact CB-CG1 4.29Å; F76-V78 PolarHBondContact O-N 3.16Å; V78-H80 WeakPolarHBondContact CG2-CE1 3.28Å; V78-H80 PolarHBondContact O-N 3.04Å; V78-H80 VanDerWaalsContact O-N 3.1Å; V78-S81 WeakPolarHBondContact O-CB 3.45Å; V78-S81 PolarHBondContact O-N 2.76Å; V78-S81 PolarHBondContact O-OG 2.99Å | ||
| 79 | A | 98 | Very high | 95.1 | Very high | 5 Ų | 5 | 51 Ų | 51 | 4% | 0.041 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.4 | -35.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | P15 Y18 L62 S81 I82 Y83 V88 | P15-A79 HydrophobicContact CB-CB 4.37Å; Y18-A79 HydrophobicContact CD1-CB 3.88Å; Y18-A79 HydrophobicContact CE1-CB 4.32Å; L62-A79 HydrophobicContact CD2-CB 3.55Å; A79-S81 PolarHBondContact O-N 3.49Å; A79-I82 PolarHBondContact O-N 2.97Å; A79-I82 VanDerWaalsContact O-N 3.1Å; A79-Y83 WeakPolarHBondContact O-CD2 3.06Å; A79-Y83 PolarHBondContact O-N 2.76Å; A79-V88 HydrophobicContact CB-CG1 4.29Å; A79-V88 HydrophobicContact CB-CG2 4.14Å |
| 80 | H | 98.2 | Very high | 95.4 | Very high | 23 Ų | 23 | 51 Ų | 51 | 11% | 0.106 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.8 | -20.2 | -178.5 | 73.8 | -104 | 0 | 0 | 0 | 113.3 | D65 I66 V78 I82 G84 I85 V88 | D65-H80 PolarHBondContact O-CE1 3.04Å; D65-H80 VanDerWaalsContact O-CE1 3.26Å; I66-H80 HydrophobicContact CD1-CB 3.9Å; I66-H80 HydrophobicContact CG1-CB 3.63Å; I66-H80 WeakPolarHBondContact CG1-ND1 3.45Å; V78-H80 WeakPolarHBondContact CG2-CE1 3.28Å; V78-H80 PolarHBondContact O-N 3.04Å; V78-H80 VanDerWaalsContact O-N 3.1Å; H80-I82 VanDerWaalsContact C-N 3.3Å; H80-G84 CarbonylContact O-C 3.19Å; H80-G84 WeakPolarHBondContact O-CA 3.26Å; H80-G84 PolarHBondContact O-N 3.15Å; H80-I85 HydrophobicContact CB-CG1 4.16Å; H80-V88 HydrophobicContact CB-CB 4.09Å; H80-V88 HydrophobicContact CB-CG1 4.38Å; H80-V88 HydrophobicContact CB-CG2 3.99Å |
| 81 | S | 97.6 | Very high | 95.7 | Very high | 72 Ų | 72 | 50.8 Ų | 50.8 | 50% | 0.503 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -74.4 | -21.7 | 172.7 | 72.7 | 0 | 0 | 0 | 0 | 112.9 | P77 V78 A79 | P77-S81 WeakPolarHBondContact CB-OG 3.29Å; V78-S81 WeakPolarHBondContact O-CB 3.45Å; V78-S81 PolarHBondContact O-N 2.76Å; V78-S81 PolarHBondContact O-OG 2.99Å; A79-S81 PolarHBondContact O-N 3.49Å |
| 82 | I | 97.9 | Very high | 96 | Very high | 87 Ų | 87 | 47.2 Ų | 47.2 | 45% | 0.446 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -96.4 | -50.1 | 179.4 | -60.8 | 170 | 0 | 0 | 0 | 110.6 | Y18 P77 A79 H80 | Y18-I82 HydrophobicContact CD2-CD1 4.2Å; Y18-I82 HydrophobicContact CE1-CD1 3.92Å; Y18-I82 HydrophobicContact CE2-CD1 3.49Å; Y18-I82 VanDerWaalsContact CE2-CD1 3.49Å; Y18-I82 WeakPolarHBondContact OH-CD1 3.41Å; P77-I82 HydrophobicContact CB-CD1 4.27Å; P77-I82 HydrophobicContact CB-CG1 4.39Å; A79-I82 PolarHBondContact O-N 2.97Å; A79-I82 VanDerWaalsContact O-N 3.1Å; H80-I82 VanDerWaalsContact C-N 3.3Å |
| 83 | Y | 98.1 | Very high | 96.3 | Very high | 67 Ų | 67 | 47.8 Ų | 47.8 | 26% | 0.263 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -99.6 | -5.5 | -170.6 | -63.6 | -77.2 | 0 | 0 | 0 | 114 | E14 P15 Y18 A79 S87 | E14-Y83 HydrophobicContact CB-CE1 4.41Å; E14-Y83 HydrophobicContact CG-CE1 3.91Å; E14-Y83 WeakPolarHBondContact OE1-CE1 3.19Å; E14-Y83 PolarHBondContact OE1-OH 3.3Å; E14-Y83 VanDerWaalsContact OE1-OH 3.09Å; P15-Y83 HydrophobicContact CB-CD2 4.17Å; P15-Y83 HydrophobicContact CB-CG 4.47Å; P15-Y83 HydrophobicContact CG-CD1 4.5Å; P15-Y83 HydrophobicContact CG-CD2 4.19Å; P15-Y83 HydrophobicContact CG-CG 4Å; Y18-Y83 HydrophobicContact CD2-CE2 4.37Å; Y18-Y83 AromaticContact CG-CE2 3.99Å; Y18-Y83 HydrophobicContact CG-CE2 3.99Å; A79-Y83 WeakPolarHBondContact O-CD2 3.06Å; A79-Y83 PolarHBondContact O-N 2.76Å; Y83-S87 VanDerWaalsContact O-CB 3.27Å; Y83-S87 WeakPolarHBondContact O-CB 3.36Å; Y83-S87 PolarHBondContact O-OG 3.31Å |
| 84 | G | 98.4 | Very high | 96.7 | Very high | 29 Ų | 29 | 50 Ų | 50 | 30% | 0.299 | 28% | 0.283 | S | S | . | . | trans | 80.3 | 145.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | H80 S87 V88 | H80-G84 CarbonylContact O-C 3.19Å; H80-G84 WeakPolarHBondContact O-CA 3.26Å; H80-G84 PolarHBondContact O-N 3.15Å; G84-S87 PolarHBondContact O-N 3.39Å; G84-V88 WeakPolarHBondContact O-CG2 3.32Å; G84-V88 PolarHBondContact O-N 2.88Å | ||
| 85 | I | 98.7 | Very high | 97.3 | Very high | 83 Ų | 83 | 48.1 Ų | 48.1 | 43% | 0.426 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -50.2 | -49 | -179.7 | -66.7 | 169.6 | 0 | 0 | 0 | 112.9 | I66 H80 S87 V88 I89 | I66-I85 HydrophobicContact CD1-CG2 4.45Å; I66-I85 HydrophobicContact CG2-CG1 4.47Å; I66-I85 HydrophobicContact CG2-CG2 3.94Å; H80-I85 HydrophobicContact CB-CG1 4.16Å; I85-S87 VanDerWaalsContact C-N 3.35Å; I85-S87 PolarHBondContact O-N 2.8Å; I85-V88 PolarHBondContact O-N 2.96Å; I85-I89 HydrophobicContact CG2-CD1 3.6Å; I85-I89 HydrophobicContact CG2-CG1 4.19Å; I85-I89 WeakPolarHBondContact O-CG1 3.39Å; I85-I89 PolarHBondContact O-N 3.47Å |
| 86 | P | 98.7 | Very high | 97.8 | Very high | 101 Ų | 101 | 47.7 Ų | 47.7 | 66% | 0.656 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -60.4 | -42.1 | -176 | -24.8 | 35.5 | 0 | 0 | 0 | 113.5 | N90 | P86-N90 WeakPolarHBondContact O-CB 3.47Å; P86-N90 PolarHBondContact O-N 2.92Å; P86-N90 VanDerWaalsContact O-N 3.16Å |
| 87 | S | 98.4 | Very high | 98.2 | Very high | 63 Ų | 63 | 50.1 Ų | 50.1 | 44% | 0.441 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.3 | -41.2 | -179.9 | -51.6 | 0 | 0 | 0 | 0 | 111.4 | Y83 G84 I85 S91 | Y83-S87 VanDerWaalsContact O-CB 3.27Å; Y83-S87 WeakPolarHBondContact O-CB 3.36Å; Y83-S87 PolarHBondContact O-OG 3.31Å; G84-S87 PolarHBondContact O-N 3.39Å; I85-S87 VanDerWaalsContact C-N 3.35Å; I85-S87 PolarHBondContact O-N 2.8Å; S87-S91 VanDerWaalsContact O-CB 3.27Å; S87-S91 WeakPolarHBondContact O-CB 3.39Å; S87-S91 PolarHBondContact O-N 3.43Å |
| 88 | V | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -74.2 | -40.5 | -176.4 | -179.4 | 0 | 0 | 0 | 0 | 111.9 | P15 L62 I66 A79 H80 G84 I85 N90 S91 A92 | P15-V88 HydrophobicContact CB-CG2 3.86Å; P15-V88 HydrophobicContact CG-CG2 4.15Å; L62-V88 HydrophobicContact CB-CG1 3.84Å; L62-V88 HydrophobicContact CD1-CG1 4.45Å; L62-V88 HydrophobicContact CD2-CG1 3.97Å; L62-V88 HydrophobicContact CG-CG1 4.31Å; I66-V88 HydrophobicContact CD1-CB 3.91Å; I66-V88 HydrophobicContact CD1-CG1 3.77Å; A79-V88 HydrophobicContact CB-CG1 4.29Å; A79-V88 HydrophobicContact CB-CG2 4.14Å; H80-V88 HydrophobicContact CB-CB 4.09Å; H80-V88 HydrophobicContact CB-CG1 4.38Å; H80-V88 HydrophobicContact CB-CG2 3.99Å; G84-V88 WeakPolarHBondContact O-CG2 3.32Å; G84-V88 PolarHBondContact O-N 2.88Å; I85-V88 PolarHBondContact O-N 2.96Å; V88-N90 VanDerWaalsContact C-N 3.32Å; V88-N90 PolarHBondContact O-N 2.92Å; V88-S91 PolarHBondContact O-N 3.21Å; V88-A92 WeakPolarHBondContact O-CB 3.41Å; V88-A92 PolarHBondContact O-N 3.05Å |
| 89 | I | 98.8 | Very high | 98.4 | Very high | 64 Ų | 64 | 48.4 Ų | 48.4 | 33% | 0.328 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -56.8 | -49.1 | 171.8 | -68.6 | 175.9 | 0 | 0 | 0 | 110.1 | I63 I66 I85 S91 A92 N93 | I63-I89 HydrophobicContact CD1-CB 4.44Å; I63-I89 HydrophobicContact CD1-CG1 4.33Å; I63-I89 HydrophobicContact CD1-CG2 4.42Å; I66-I89 HydrophobicContact CD1-CG1 3.71Å; I66-I89 HydrophobicContact CG2-CD1 4.46Å; I85-I89 HydrophobicContact CG2-CD1 3.6Å; I85-I89 HydrophobicContact CG2-CG1 4.19Å; I85-I89 WeakPolarHBondContact O-CG1 3.39Å; I85-I89 PolarHBondContact O-N 3.47Å; I89-S91 PolarHBondContact O-N 2.98Å; I89-A92 PolarHBondContact O-N 3.45Å; I89-N93 WeakPolarHBondContact O-CB 3.26Å; I89-N93 VanDerWaalsContact O-CG 3.3Å; I89-N93 PolarHBondContact O-N 3.41Å |
| 90 | N | 98.6 | Very high | 98.4 | Very high | 91 Ų | 91 | 50.4 Ų | 50.4 | 49% | 0.487 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.8 | -42.4 | -179.9 | -174.6 | 81.3 | 0 | 0 | 0 | 112.1 | P86 V88 Y94 | P86-N90 WeakPolarHBondContact O-CB 3.47Å; P86-N90 PolarHBondContact O-N 2.92Å; P86-N90 VanDerWaalsContact O-N 3.16Å; V88-N90 VanDerWaalsContact C-N 3.32Å; V88-N90 PolarHBondContact O-N 2.92Å; N90-Y94 VanDerWaalsContact O-CB 3.28Å; N90-Y94 WeakPolarHBondContact O-CB 3.45Å; N90-Y94 PolarHBondContact O-N 3.01Å |
| 91 | S | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.007 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.8 | -47.5 | 177.7 | -172.9 | 0 | 0 | 0 | 0 | 112.1 | L12 S87 V88 I89 Y94 V95 | L12-S91 VanDerWaalsContact O-CB 3.24Å; L12-S91 WeakPolarHBondContact O-CB 3.38Å; L12-S91 PolarHBondContact O-OG 3.21Å; S87-S91 VanDerWaalsContact O-CB 3.27Å; S87-S91 WeakPolarHBondContact O-CB 3.39Å; S87-S91 PolarHBondContact O-N 3.43Å; V88-S91 PolarHBondContact O-N 3.21Å; I89-S91 PolarHBondContact O-N 2.98Å; S91-Y94 WeakPolarHBondContact O-CB 3.42Å; S91-Y94 PolarHBondContact O-N 3.47Å; S91-V95 WeakPolarHBondContact O-CG2 3.4Å; S91-V95 PolarHBondContact O-N 2.96Å |
| 92 | A | 98.4 | Very high | 98.5 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.7 | -45.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | L62 I63 V88 I89 Y94 V95 Y96 | L62-A92 HydrophobicContact CB-CB 3.82Å; L62-A92 HydrophobicContact CD1-CB 3.99Å; I63-A92 HydrophobicContact CD1-CB 3.7Å; I63-A92 HydrophobicContact CG1-CB 3.65Å; V88-A92 WeakPolarHBondContact O-CB 3.41Å; V88-A92 PolarHBondContact O-N 3.05Å; I89-A92 PolarHBondContact O-N 3.45Å; A92-Y94 VanDerWaalsContact C-N 3.3Å; A92-Y94 PolarHBondContact O-N 3.2Å; A92-V95 PolarHBondContact O-N 3.25Å; A92-V95 VanDerWaalsContact O-N 3.1Å; A92-Y96 PolarHBondContact O-N 2.92Å |
| 93 | N | 98.6 | Very high | 98.5 | Very high | 65 Ų | 65 | 50.6 Ų | 50.6 | 35% | 0.348 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.9 | -37.8 | 176.1 | -72.1 | -12.2 | 0 | 0 | 0 | 112 | I89 V95 Y96 F97 | I89-N93 WeakPolarHBondContact O-CB 3.26Å; I89-N93 VanDerWaalsContact O-CG 3.3Å; I89-N93 PolarHBondContact O-N 3.41Å; N93-V95 VanDerWaalsContact C-N 3.31Å; N93-V95 PolarHBondContact O-N 3.24Å; N93-Y96 WeakPolarHBondContact O-CB 3.4Å; N93-Y96 PolarHBondContact O-N 3.37Å; N93-F97 WeakPolarHBondContact O-CD2 3.31Å; N93-F97 PolarHBondContact O-N 3.36Å |
| 94 | Y | 98.6 | Very high | 98.5 | Very high | 73 Ų | 73 | 52.6 Ų | 52.6 | 29% | 0.286 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.2 | -42.4 | 173.1 | -178.8 | -123.6 | 0 | 0 | 0 | 111.5 | L12 L13 N90 S91 A92 Y96 F97 L98 | L12-Y94 HydrophobicContact CB-CD1 3.98Å; L12-Y94 HydrophobicContact CB-CE1 4.07Å; L12-Y94 HydrophobicContact CD1-CD1 4.29Å; L12-Y94 HydrophobicContact CD1-CE1 4.03Å; L13-Y94 HydrophobicContact CD2-CD1 4Å; L13-Y94 HydrophobicContact CD2-CE1 4.19Å; L13-Y94 HydrophobicContact CG-CE1 4.35Å; N90-Y94 VanDerWaalsContact O-CB 3.28Å; N90-Y94 WeakPolarHBondContact O-CB 3.45Å; N90-Y94 PolarHBondContact O-N 3.01Å; S91-Y94 WeakPolarHBondContact O-CB 3.42Å; S91-Y94 PolarHBondContact O-N 3.47Å; A92-Y94 VanDerWaalsContact C-N 3.3Å; A92-Y94 PolarHBondContact O-N 3.2Å; Y94-Y96 PolarHBondContact O-N 3.11Å; Y94-F97 PolarHBondContact O-N 3.28Å; Y94-L98 HydrophobicContact CD1-CD1 4Å; Y94-L98 HydrophobicContact CE1-CD1 3.67Å; Y94-L98 HydrophobicContact CE1-CG 4.22Å; Y94-L98 HydrophobicContact CE2-CD2 4.29Å; Y94-L98 HydrophobicContact CE2-CG 4.32Å; Y94-L98 WeakPolarHBondContact O-CG 3.46Å; Y94-L98 PolarHBondContact O-N 3.33Å |
| 95 | V | 98.5 | Very high | 98.5 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.2 | -33.3 | 175.9 | 176.9 | 0 | 0 | 0 | 0 | 112.6 | L13 Y16 M55 A59 S91 A92 N93 F97 L98 G99 | L13-V95 HydrophobicContact CD2-CG2 3.55Å; Y16-V95 HydrophobicContact CD1-CG2 4.18Å; Y16-V95 HydrophobicContact CD2-CB 4.36Å; Y16-V95 HydrophobicContact CD2-CG1 4.08Å; Y16-V95 HydrophobicContact CD2-CG2 3.8Å; Y16-V95 HydrophobicContact CE2-CG1 3.74Å; Y16-V95 HydrophobicContact CE2-CG2 4.27Å; Y16-V95 HydrophobicContact CG-CG2 3.76Å; M55-V95 HydrophobicContact CB-CG1 4.02Å; M55-V95 HydrophobicContact CE-CG1 4.13Å; M55-V95 HydrophobicContact CG-CG1 4.49Å; A59-V95 HydrophobicContact CB-CB 4.01Å; A59-V95 HydrophobicContact CB-CG1 3.89Å; S91-V95 WeakPolarHBondContact O-CG2 3.4Å; S91-V95 PolarHBondContact O-N 2.96Å; A92-V95 PolarHBondContact O-N 3.25Å; A92-V95 VanDerWaalsContact O-N 3.1Å; N93-V95 VanDerWaalsContact C-N 3.31Å; N93-V95 PolarHBondContact O-N 3.24Å; V95-F97 VanDerWaalsContact C-N 3.29Å; V95-F97 PolarHBondContact O-N 3.1Å; V95-L98 PolarHBondContact O-N 2.62Å; V95-G99 PolarHBondContact O-N 3.14Å |
| 96 | Y | 98.5 | Very high | 98.5 | Very high | 26 Ų | 26 | 50.9 Ų | 50.9 | 10% | 0.102 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.4 | -42.9 | 171.3 | -71 | -30.4 | 0 | 0 | 0 | 112.2 | L56 A59 S60 I63 A92 N93 Y94 G99 L100 | L56-Y96 HydrophobicContact CD2-CD1 3.61Å; L56-Y96 HydrophobicContact CD2-CE1 4.3Å; L56-Y96 HydrophobicContact CD2-CG 4.5Å; A59-Y96 HydrophobicContact CB-CD1 3.65Å; A59-Y96 HydrophobicContact CB-CE1 3.54Å; S60-Y96 VanDerWaalsContact CA-OH 3.22Å; S60-Y96 WeakPolarHBondContact CA-OH 3.44Å; S60-Y96 WeakPolarHBondContact CB-OH 3.34Å; I63-Y96 HydrophobicContact CG1-CE2 4.4Å; A92-Y96 PolarHBondContact O-N 2.92Å; N93-Y96 WeakPolarHBondContact O-CB 3.4Å; N93-Y96 PolarHBondContact O-N 3.37Å; Y94-Y96 PolarHBondContact O-N 3.11Å; Y96-G99 PolarHBondContact O-N 2.84Å; Y96-L100 PolarHBondContact O-N 3.23Å |
| 97 | F | 98.6 | Very high | 98.4 | Very high | 140 Ų | 140 | 53 Ų | 53 | 61% | 0.614 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -75.4 | -32.4 | 177.9 | -66.2 | -65.5 | 0 | 0 | 0 | 113.4 | N93 Y94 V95 G99 L100 E101 | N93-F97 WeakPolarHBondContact O-CD2 3.31Å; N93-F97 PolarHBondContact O-N 3.36Å; Y94-F97 PolarHBondContact O-N 3.28Å; V95-F97 VanDerWaalsContact C-N 3.29Å; V95-F97 PolarHBondContact O-N 3.1Å; F97-G99 PolarHBondContact O-N 3.25Å; F97-L100 HydrophobicContact CD1-CD2 4.47Å; F97-L100 WeakPolarHBondContact O-CB 3.37Å; F97-L100 PolarHBondContact O-N 3.46Å; F97-E101 PolarHBondContact O-N 2.93Å |
| 98 | L | 98.4 | Very high | 98.4 | Very high | 25 Ų | 25 | 52.3 Ų | 52.3 | 13% | 0.131 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.5 | -34.3 | 167.7 | -67.2 | 177.2 | 0 | 0 | 0 | 111.4 | L13 M55 Y94 V95 E101 K102 | L13-L98 HydrophobicContact CD2-CD1 4.03Å; M55-L98 HydrophobicContact CE-CB 3.5Å; M55-L98 VanDerWaalsContact CE-CB 3.5Å; Y94-L98 HydrophobicContact CD1-CD1 4Å; Y94-L98 HydrophobicContact CE1-CD1 3.67Å; Y94-L98 HydrophobicContact CE1-CG 4.22Å; Y94-L98 HydrophobicContact CE2-CD2 4.29Å; Y94-L98 HydrophobicContact CE2-CG 4.32Å; Y94-L98 WeakPolarHBondContact O-CG 3.46Å; Y94-L98 PolarHBondContact O-N 3.33Å; V95-L98 PolarHBondContact O-N 2.62Å; L98-E101 PolarHBondContact O-N 3.26Å; L98-K102 WeakPolarHBondContact O-CB 3.34Å; L98-K102 PolarHBondContact O-N 2.89Å |
| 99 | G | 98.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62 | -45.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V95 Y96 F97 K102 V103 | V95-G99 PolarHBondContact O-N 3.14Å; Y96-G99 PolarHBondContact O-N 2.84Å; F97-G99 PolarHBondContact O-N 3.25Å; G99-K102 PolarHBondContact O-N 2.82Å; G99-V103 WeakPolarHBondContact O-CG2 3.45Å; G99-V103 PolarHBondContact O-N 3.48Å |
| 100 | L | 98.4 | Very high | 98.2 | Very high | 47 Ų | 47 | 58.2 Ų | 58.2 | 25% | 0.246 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 173.5 | 175.6 | 59.8 | 0 | 0 | 0 | 112.2 | Y96 F97 K102 V103 L104 V112 F115 | Y96-L100 PolarHBondContact O-N 3.23Å; F97-L100 HydrophobicContact CD1-CD2 4.47Å; F97-L100 WeakPolarHBondContact O-CB 3.37Å; F97-L100 PolarHBondContact O-N 3.46Å; L100-K102 VanDerWaalsContact C-N 3.26Å; L100-K102 PolarHBondContact O-N 3.28Å; L100-V103 WeakPolarHBondContact O-CB 3.47Å; L100-V103 PolarHBondContact O-N 3.17Å; L100-V103 VanDerWaalsContact O-N 3.14Å; L100-L104 PolarHBondContact O-N 3.4Å; L100-L104 VanDerWaalsContact O-N 3.11Å; L100-V112 HydrophobicContact CD1-CG1 4.13Å; L100-V112 HydrophobicContact CD1-CG2 4.43Å; L100-F115 HydrophobicContact CB-CE1 3.79Å; L100-F115 HydrophobicContact CB-CE2 4.47Å; L100-F115 HydrophobicContact CB-CZ 3.72Å; L100-F115 HydrophobicContact CD1-CD1 3.77Å; L100-F115 HydrophobicContact CD1-CE1 3.78Å; L100-F115 HydrophobicContact CD1-CG 4.4Å; L100-F115 HydrophobicContact CD1-CZ 4.4Å; L100-F115 HydrophobicContact CG-CE1 4.23Å |
| 101 | E | 98.4 | Very high | 98.2 | Very high | 122 Ų | 122 | 54 Ų | 54 | 57% | 0.57 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -55.7 | -44.1 | 175.2 | -178.6 | -178.7 | -131.4 | 0 | 0 | 110.9 | F97 L98 L104 | F97-E101 PolarHBondContact O-N 2.93Å; L98-E101 PolarHBondContact O-N 3.26Å; E101-L104 WeakPolarHBondContact O-CB 3.46Å; E101-L104 PolarHBondContact O-N 3.49Å |
| 102 | K | 98.3 | Very high | 98.2 | Very high | 64 Ų | 64 | 56.2 Ų | 56.2 | 28% | 0.278 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -68.1 | -36.1 | 177.3 | -172.6 | 165.2 | -81.1 | -84.8 | 0 | 112.7 | I48 E51 V52 M55 L98 G99 L100 L104 T105 | I48-K102 HydrophobicContact CG2-CG 4Å; E51-K102 HydrophobicContact CB-CD 3.86Å; E51-K102 WeakPolarHBondContact OE2-CE 3.43Å; E51-K102 IonicContact OE2-NZ 3.13Å; E51-K102 PolarHBondContact OE2-NZ 3.37Å; V52-K102 HydrophobicContact CG2-CB 3.91Å; V52-K102 HydrophobicContact CG2-CD 4.14Å; V52-K102 HydrophobicContact CG2-CG 3.74Å; M55-K102 HydrophobicContact SD-CD 3.96Å; L98-K102 WeakPolarHBondContact O-CB 3.34Å; L98-K102 PolarHBondContact O-N 2.89Å; G99-K102 PolarHBondContact O-N 2.82Å; L100-K102 VanDerWaalsContact C-N 3.26Å; L100-K102 PolarHBondContact O-N 3.28Å; K102-L104 VanDerWaalsContact C-N 3.27Å; K102-L104 PolarHBondContact O-N 3.09Å; K102-T105 WeakPolarHBondContact O-CB 3.44Å; K102-T105 PolarHBondContact O-N 3.18Å; K102-T105 VanDerWaalsContact O-N 3.11Å; K102-T105 PolarHBondContact O-OG1 3.3Å |
| 103 | V | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.1 | -36.7 | 172.7 | 168.2 | 0 | 0 | 0 | 0 | 112 | V52 G99 L100 T105 L106 A111 F115 L162 | V52-V103 HydrophobicContact CB-CG2 4.19Å; V52-V103 HydrophobicContact CG1-CG2 3.48Å; V52-V103 VanDerWaalsContact CG1-CG2 3.48Å; V52-V103 HydrophobicContact CG2-CG2 3.67Å; G99-V103 WeakPolarHBondContact O-CG2 3.45Å; G99-V103 PolarHBondContact O-N 3.48Å; L100-V103 WeakPolarHBondContact O-CB 3.47Å; L100-V103 PolarHBondContact O-N 3.17Å; L100-V103 VanDerWaalsContact O-N 3.14Å; V103-T105 PolarHBondContact O-N 3.07Å; V103-L106 VanDerWaalsContact O-CB 3.26Å; V103-L106 WeakPolarHBondContact O-CB 3.48Å; V103-L106 PolarHBondContact O-N 3.11Å; V103-A111 HydrophobicContact CG1-CB 3.85Å; V103-F115 HydrophobicContact CB-CD2 4.47Å; V103-F115 HydrophobicContact CG1-CB 4.27Å; V103-F115 HydrophobicContact CG2-CD2 3.69Å; V103-F115 HydrophobicContact CG2-CE2 4.15Å; V103-F115 HydrophobicContact CG2-CG 4.42Å; V103-L162 HydrophobicContact CG2-CD1 4.45Å |
| 104 | L | 98.3 | Very high | 98.1 | Very high | 109 Ų | 109 | 61.6 Ų | 61.6 | 57% | 0.571 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -59.9 | -29.2 | 177 | -69.2 | 166 | 0 | 0 | 0 | 112.4 | L100 E101 K102 L106 D107 V112 | L100-L104 PolarHBondContact O-N 3.4Å; L100-L104 VanDerWaalsContact O-N 3.11Å; E101-L104 WeakPolarHBondContact O-CB 3.46Å; E101-L104 PolarHBondContact O-N 3.49Å; K102-L104 VanDerWaalsContact C-N 3.27Å; K102-L104 PolarHBondContact O-N 3.09Å; L104-L106 PolarHBondContact O-N 2.96Å; L104-D107 PolarHBondContact O-N 3.11Å; L104-V112 HydrophobicContact CD2-CG2 3.42Å; L104-V112 VanDerWaalsContact CD2-CG2 3.42Å; L104-V112 HydrophobicContact CG-CG2 4.25Å |
| 105 | T | 98.4 | Very high | 98.1 | Very high | 77 Ų | 77 | 58.6 Ų | 58.6 | 47% | 0.472 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -12.7 | 177.9 | 74.4 | 0 | 0 | 0 | 0 | 114 | K102 V103 D107 | K102-T105 WeakPolarHBondContact O-CB 3.44Å; K102-T105 PolarHBondContact O-N 3.18Å; K102-T105 VanDerWaalsContact O-N 3.11Å; K102-T105 PolarHBondContact O-OG1 3.3Å; V103-T105 PolarHBondContact O-N 3.07Å; T105-D107 PolarHBondContact O-N 3.01Å |
| 106 | L | 97.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -20.9 | 172.7 | -71.6 | 171.8 | 0 | 0 | 0 | 112.3 | K45 I48 I49 V103 L104 H108 A111 L162 F166 | K45-L106 HydrophobicContact CB-CD2 4.37Å; K45-L106 HydrophobicContact CD-CD2 4.07Å; K45-L106 PolarHBondContact NZ-O 3.31Å; I48-L106 HydrophobicContact CB-CD2 3.77Å; I48-L106 HydrophobicContact CD1-CD2 4.27Å; I48-L106 HydrophobicContact CG2-CD1 4.47Å; I48-L106 HydrophobicContact CG2-CD2 3.56Å; I48-L106 HydrophobicContact CG2-CG 3.74Å; I49-L106 HydrophobicContact CG1-CD1 4.04Å; I49-L106 HydrophobicContact CG1-CD2 4.03Å; V103-L106 VanDerWaalsContact O-CB 3.26Å; V103-L106 WeakPolarHBondContact O-CB 3.48Å; V103-L106 PolarHBondContact O-N 3.11Å; L104-L106 PolarHBondContact O-N 2.96Å; L106-H108 VanDerWaalsContact C-N 3.35Å; L106-H108 PolarHBondContact O-N 3.26Å; L106-A111 HydrophobicContact CD1-CB 4.48Å; L106-L162 HydrophobicContact CD1-CD1 4.27Å; L106-L162 HydrophobicContact CD1-CD2 4.09Å; L106-F166 HydrophobicContact CB-CE2 4.19Å; L106-F166 HydrophobicContact CB-CZ 3.89Å; L106-F166 HydrophobicContact CD1-CE2 4.38Å; L106-F166 HydrophobicContact CD2-CE2 4.07Å; L106-F166 HydrophobicContact CD2-CZ 4.31Å; L106-F166 HydrophobicContact CG-CE2 4.46Å; L106-F166 WeakPolarHBondContact O-CZ 3.47Å |
| 107 | D | 97.1 | Very high | 98 | Very high | 146 Ų | 146 | 65.6 Ų | 65.6 | 78% | 0.781 | 33% | 0.332 | S | S | * | . | trans | 53.8 | 47.5 | 178.5 | -165.1 | 33.3 | 0 | 0 | 0 | 112.8 | L104 T105 | L104-D107 PolarHBondContact O-N 3.11Å; T105-D107 PolarHBondContact O-N 3.01Å | ||
| 108 | H | 98.2 | Very high | 97.9 | Very high | 48 Ų | 48 | 59.2 Ų | 59.2 | 22% | 0.222 | 31% | 0.305 | C | S | . | . | trans | -127.6 | 129.9 | 176 | -172.5 | -69.6 | 0 | 0 | 0 | 110.2 | L106 D110 A111 F166 | L106-H108 VanDerWaalsContact C-N 3.35Å; L106-H108 PolarHBondContact O-N 3.26Å; H108-D110 VanDerWaalsContact C-N 3.27Å; H108-D110 IonicContact CE1-OD2 3.43Å; H108-D110 PolarHBondContact ND1-N 3.31Å; H108-D110 VanDerWaalsContact ND1-N 3.14Å; H108-D110 PolarHBondContact O-N 3.28Å; H108-A111 HydrophobicContact CB-CB 4.21Å; H108-A111 WeakPolarHBondContact O-CB 3.43Å; H108-A111 PolarHBondContact O-N 2.89Å; H108-F166 HydrophobicContact CB-CE1 4.07Å; H108-F166 HydrophobicContact CB-CE2 4.4Å; H108-F166 HydrophobicContact CB-CZ 3.58Å | ||
| 109 | P | 96.1 | Very high | 97.9 | Very high | 116 Ų | 116 | 59.4 Ų | 59.4 | 75% | 0.753 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -34.8 | -172 | 21.9 | -33.9 | 0 | 0 | 0 | 113.5 | ||
| 110 | D | 98.3 | Very high | 97.8 | Very high | 72 Ų | 72 | 64.4 Ų | 64.4 | 39% | 0.385 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -6.4 | 179.6 | -64.1 | -57.1 | 0 | 0 | 0 | 115.1 | H108 V112 K113 L114 L165 | H108-D110 VanDerWaalsContact C-N 3.27Å; H108-D110 IonicContact CE1-OD2 3.43Å; H108-D110 PolarHBondContact ND1-N 3.31Å; H108-D110 VanDerWaalsContact ND1-N 3.14Å; H108-D110 PolarHBondContact O-N 3.28Å; D110-V112 PolarHBondContact O-N 3.38Å; D110-K113 PolarHBondContact O-N 2.77Å; D110-L114 WeakPolarHBondContact O-CB 3.28Å; D110-L114 PolarHBondContact O-N 2.78Å; D110-L165 HydrophobicContact CB-CD1 4.42Å; D110-L165 HydrophobicContact CB-CD2 4.1Å |
| 111 | A | 98.2 | Very high | 97.7 | Very high | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.008 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.5 | -44.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112 | V103 L106 H108 L114 F115 L162 L165 | V103-A111 HydrophobicContact CG1-CB 3.85Å; L106-A111 HydrophobicContact CD1-CB 4.48Å; H108-A111 HydrophobicContact CB-CB 4.21Å; H108-A111 WeakPolarHBondContact O-CB 3.43Å; H108-A111 PolarHBondContact O-N 2.89Å; A111-L114 PolarHBondContact O-N 3.03Å; A111-F115 WeakPolarHBondContact O-CB 3.28Å; A111-F115 PolarHBondContact O-N 3.11Å; A111-L162 HydrophobicContact CB-CD2 4.02Å; A111-L165 HydrophobicContact CB-CD1 4.16Å |
| 112 | V | 98.3 | Very high | 97.6 | Very high | 49 Ų | 49 | 59.5 Ų | 59.5 | 30% | 0.297 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -68.4 | -36.1 | 177.4 | 177.9 | 0 | 0 | 0 | 0 | 112 | L100 L104 D110 F115 T116 | L100-V112 HydrophobicContact CD1-CG1 4.13Å; L100-V112 HydrophobicContact CD1-CG2 4.43Å; L104-V112 HydrophobicContact CD2-CG2 3.42Å; L104-V112 VanDerWaalsContact CD2-CG2 3.42Å; L104-V112 HydrophobicContact CG-CG2 4.25Å; D110-V112 PolarHBondContact O-N 3.38Å; V112-F115 PolarHBondContact O-N 3.34Å; V112-T116 WeakPolarHBondContact O-CB 3.47Å; V112-T116 PolarHBondContact O-N 3.18Å; V112-T116 PolarHBondContact O-OG1 2.87Å |
| 113 | K | 98.3 | Very high | 97.5 | Very high | 153 Ų | 153 | 61.1 Ų | 61.1 | 67% | 0.665 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -65.2 | -43.5 | 176.9 | -174.8 | 179.2 | 177.8 | -176.4 | 0 | 110.6 | D110 R117 | D110-K113 PolarHBondContact O-N 2.77Å; K113-R117 WeakPolarHBondContact O-CB 3.38Å; K113-R117 PolarHBondContact O-N 2.87Å |
| 114 | L | 97.9 | Very high | 97.5 | Very high | 24 Ų | 24 | 66.1 Ų | 66.1 | 13% | 0.126 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66 | -46.7 | 176.4 | -166.4 | 152.1 | 0 | 0 | 0 | 111.1 | D110 A111 T116 R117 Q118 L158 G161 L162 L165 | D110-L114 WeakPolarHBondContact O-CB 3.28Å; D110-L114 PolarHBondContact O-N 2.78Å; A111-L114 PolarHBondContact O-N 3.03Å; L114-T116 PolarHBondContact O-N 2.97Å; L114-R117 PolarHBondContact O-N 2.94Å; L114-Q118 HydrophobicContact CD2-CG 3.86Å; L114-Q118 WeakPolarHBondContact O-CG 3.42Å; L114-Q118 PolarHBondContact O-N 2.87Å; L114-L158 HydrophobicContact CD2-CD1 3.6Å; L114-G161 VanDerWaalsContact CD1-C 3.4Å; L114-G161 WeakPolarHBondContact CD1-O 3.24Å; L114-L162 HydrophobicContact CD2-CD2 4.21Å; L114-L162 HydrophobicContact CD2-CG 4.1Å; L114-L165 HydrophobicContact CD1-CD1 4.41Å; L114-L165 HydrophobicContact CD1-CD2 4.49Å; L114-L165 HydrophobicContact CD1-CG 4.44Å |
| 115 | F | 98.1 | Very high | 97.5 | Very high | 10 Ų | 10 | 60.9 Ų | 60.9 | 4% | 0.044 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -52.8 | -53.9 | 173.8 | 176 | -88.4 | 0 | 0 | 0 | 111.8 | L56 L100 V103 A111 V112 R117 Q118 L119 L158 | L56-F115 HydrophobicContact CD1-CD2 4.31Å; L56-F115 HydrophobicContact CD1-CE2 3.77Å; L56-F115 HydrophobicContact CD2-CE2 4.07Å; L56-F115 HydrophobicContact CD2-CZ 4.28Å; L56-F115 HydrophobicContact CG-CE2 4.42Å; L100-F115 HydrophobicContact CB-CE1 3.79Å; L100-F115 HydrophobicContact CB-CE2 4.47Å; L100-F115 HydrophobicContact CB-CZ 3.72Å; L100-F115 HydrophobicContact CD1-CD1 3.77Å; L100-F115 HydrophobicContact CD1-CE1 3.78Å; L100-F115 HydrophobicContact CD1-CG 4.4Å; L100-F115 HydrophobicContact CD1-CZ 4.4Å; L100-F115 HydrophobicContact CG-CE1 4.23Å; V103-F115 HydrophobicContact CB-CD2 4.47Å; V103-F115 HydrophobicContact CG1-CB 4.27Å; V103-F115 HydrophobicContact CG2-CD2 3.69Å; V103-F115 HydrophobicContact CG2-CE2 4.15Å; V103-F115 HydrophobicContact CG2-CG 4.42Å; A111-F115 WeakPolarHBondContact O-CB 3.28Å; A111-F115 PolarHBondContact O-N 3.11Å; V112-F115 PolarHBondContact O-N 3.34Å; F115-R117 PolarHBondContact O-N 2.94Å; F115-Q118 PolarHBondContact O-N 3.41Å; F115-L119 HydrophobicContact CD1-CD2 4.13Å; F115-L119 HydrophobicContact CD2-CD1 4.15Å; F115-L119 HydrophobicContact CE1-CD1 4.4Å; F115-L119 HydrophobicContact CE1-CD2 3.39Å; F115-L119 HydrophobicContact CE1-CG 4.46Å; F115-L119 HydrophobicContact CE2-CD1 4.08Å; F115-L119 HydrophobicContact CE2-CD2 4.11Å; F115-L119 HydrophobicContact CG-CD1 4.41Å; F115-L119 HydrophobicContact CZ-CD1 4.19Å; F115-L119 HydrophobicContact CZ-CD2 3.39Å; F115-L119 HydrophobicContact CZ-CG 4.44Å; F115-L119 WeakPolarHBondContact O-CD1 3.28Å; F115-L119 PolarHBondContact O-N 2.99Å; F115-L158 HydrophobicContact CB-CD1 4.26Å; F115-L158 HydrophobicContact CD2-CD1 4.38Å; F115-L158 HydrophobicContact CD2-CD2 4.24Å |
| 116 | T | 98.1 | Very high | 97.4 | Very high | 68 Ų | 68 | 57.9 Ų | 57.9 | 42% | 0.417 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.4 | -46.7 | -179.7 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | V112 L114 Q118 L119 L120 | V112-T116 WeakPolarHBondContact O-CB 3.47Å; V112-T116 PolarHBondContact O-N 3.18Å; V112-T116 PolarHBondContact O-OG1 2.87Å; L114-T116 PolarHBondContact O-N 2.97Å; T116-Q118 PolarHBondContact O-N 2.92Å; T116-L119 PolarHBondContact O-N 3.25Å; T116-L120 HydrophobicContact CG2-CD1 4.08Å; T116-L120 VanDerWaalsContact O-CG 3.3Å; T116-L120 WeakPolarHBondContact O-CG 3.4Å; T116-L120 PolarHBondContact O-N 2.85Å |
| 117 | R | 97.1 | Very high | 97.4 | Very high | 106 Ų | 106 | 59.7 Ų | 59.7 | 40% | 0.4 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.4 | -47.1 | 178.9 | -175.6 | 179.3 | 60.7 | 70.5 | 6.8 | 112 | K113 L114 F115 L120 E121 | K113-R117 WeakPolarHBondContact O-CB 3.38Å; K113-R117 PolarHBondContact O-N 2.87Å; L114-R117 PolarHBondContact O-N 2.94Å; F115-R117 PolarHBondContact O-N 2.94Å; R117-L120 PolarHBondContact O-N 2.91Å; R117-E121 IonicContact CZ-OE1 3.96Å; R117-E121 IonicContact NH1-OE1 2.91Å; R117-E121 PolarHBondContact NH1-OE1 3.41Å; R117-E121 IonicContact NH1-OE2 3.49Å; R117-E121 PolarHBondContact NH1-OE2 3.3Å; R117-E121 WeakPolarHBondContact O-CG 3.45Å; R117-E121 PolarHBondContact O-N 2.77Å |
| 118 | Q | 96.6 | Very high | 97.5 | Very high | 7 Ų | 7 | 55.8 Ų | 55.8 | 3% | 0.033 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.7 | -35.1 | -177.4 | -67.8 | -63.1 | 140.6 | 0 | 0 | 112.6 | L114 F115 T116 E121 L122 G154 L158 | L114-Q118 HydrophobicContact CD2-CG 3.86Å; L114-Q118 WeakPolarHBondContact O-CG 3.42Å; L114-Q118 PolarHBondContact O-N 2.87Å; F115-Q118 PolarHBondContact O-N 3.41Å; T116-Q118 PolarHBondContact O-N 2.92Å; Q118-E121 PolarHBondContact O-N 2.84Å; Q118-L122 WeakPolarHBondContact O-CB 3.3Å; Q118-L122 PolarHBondContact O-N 3.49Å; Q118-G154 PolarHBondContact NE2-O 3.25Å; Q118-L158 HydrophobicContact CB-CB 3.88Å; Q118-L158 HydrophobicContact CB-CD1 4.18Å; Q118-L158 HydrophobicContact CG-CB 3.96Å; Q118-L158 HydrophobicContact CG-CD1 4.24Å |
| 119 | L | 96.7 | Very high | 97.5 | Very high | 29 Ų | 29 | 53.8 Ų | 53.8 | 15% | 0.152 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.9 | -38.5 | 174.3 | -94.6 | 62 | 0 | 0 | 0 | 111.8 | L56 F115 T116 L122 H123 L158 | L56-L119 HydrophobicContact CD1-CD1 3.99Å; F115-L119 HydrophobicContact CD1-CD2 4.13Å; F115-L119 HydrophobicContact CD2-CD1 4.15Å; F115-L119 HydrophobicContact CE1-CD1 4.4Å; F115-L119 HydrophobicContact CE1-CD2 3.39Å; F115-L119 HydrophobicContact CE1-CG 4.46Å; F115-L119 HydrophobicContact CE2-CD1 4.08Å; F115-L119 HydrophobicContact CE2-CD2 4.11Å; F115-L119 HydrophobicContact CG-CD1 4.41Å; F115-L119 HydrophobicContact CZ-CD1 4.19Å; F115-L119 HydrophobicContact CZ-CD2 3.39Å; F115-L119 HydrophobicContact CZ-CG 4.44Å; F115-L119 WeakPolarHBondContact O-CD1 3.28Å; F115-L119 PolarHBondContact O-N 2.99Å; T116-L119 PolarHBondContact O-N 3.25Å; L119-L122 PolarHBondContact O-N 3.33Å; L119-H123 PolarHBondContact O-N 2.89Å; L119-H123 PolarHBondContact O-ND1 3.3Å; L119-L158 HydrophobicContact CD1-CD2 4.05Å |
| 120 | L | 97.6 | Very high | 97.6 | Very high | 104 Ų | 104 | 50 Ų | 50 | 55% | 0.545 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 173.1 | -72.3 | 170.3 | 0 | 0 | 0 | 111.3 | T116 R117 H123 Q124 | T116-L120 HydrophobicContact CG2-CD1 4.08Å; T116-L120 VanDerWaalsContact O-CG 3.3Å; T116-L120 WeakPolarHBondContact O-CG 3.4Å; T116-L120 PolarHBondContact O-N 2.85Å; R117-L120 PolarHBondContact O-N 2.91Å; L120-H123 PolarHBondContact O-N 2.98Å; L120-Q124 VanDerWaalsContact O-CG 3.28Å; L120-Q124 WeakPolarHBondContact O-CG 3.45Å; L120-Q124 PolarHBondContact O-N 2.69Å |
| 121 | E | 95.5 | Very high | 97.6 | Very high | 43 Ų | 43 | 52.4 Ų | 52.4 | 20% | 0.201 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.2 | -46.5 | 174.8 | -74.7 | 171.9 | -167.8 | 0 | 0 | 111.2 | R117 Q118 H123 Q124 G125 Q150 | R117-E121 IonicContact CZ-OE1 3.96Å; R117-E121 IonicContact NH1-OE1 2.91Å; R117-E121 PolarHBondContact NH1-OE1 3.41Å; R117-E121 IonicContact NH1-OE2 3.49Å; R117-E121 PolarHBondContact NH1-OE2 3.3Å; R117-E121 WeakPolarHBondContact O-CG 3.45Å; R117-E121 PolarHBondContact O-N 2.77Å; Q118-E121 PolarHBondContact O-N 2.84Å; E121-H123 PolarHBondContact O-N 3.27Å; E121-Q124 WeakPolarHBondContact O-CB 3.39Å; E121-Q124 PolarHBondContact O-N 3.06Å; E121-G125 PolarHBondContact O-N 2.92Å; E121-Q150 WeakPolarHBondContact O-CB 3.44Å |
| 122 | L | 95.6 | Very high | 97.6 | Very high | 23 Ų | 23 | 53.4 Ų | 53.4 | 12% | 0.12 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.3 | -47.9 | 177.3 | -174.4 | 159.9 | 0 | 0 | 0 | 111.7 | Q118 L119 Q124 G125 Q126 L155 | Q118-L122 WeakPolarHBondContact O-CB 3.3Å; Q118-L122 PolarHBondContact O-N 3.49Å; L119-L122 PolarHBondContact O-N 3.33Å; L122-Q124 PolarHBondContact O-N 3.39Å; L122-G125 PolarHBondContact O-N 2.9Å; L122-Q126 PolarHBondContact O-N 2.97Å; L122-L155 HydrophobicContact CD1-CB 4.37Å |
| 123 | H | 97.3 | Very high | 97.6 | Very high | 99 Ų | 99 | 51.5 Ų | 51.5 | 46% | 0.458 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -69.7 | -30.9 | -179.9 | -72.8 | 79.1 | 0 | 0 | 0 | 112.9 | L119 L120 E121 G127 | L119-H123 PolarHBondContact O-N 2.89Å; L119-H123 PolarHBondContact O-ND1 3.3Å; L120-H123 PolarHBondContact O-N 2.98Å; E121-H123 PolarHBondContact O-N 3.27Å; H123-G127 PolarHBondContact O-N 3.11Å |
| 124 | Q | 97.9 | Very high | 97.6 | Very high | 104 Ų | 104 | 47.3 Ų | 47.3 | 49% | 0.486 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.8 | -45.5 | 171.3 | -73.6 | 170.2 | 4.4 | 0 | 0 | 110.9 | L120 E121 L122 G127 L128 | L120-Q124 VanDerWaalsContact O-CG 3.28Å; L120-Q124 WeakPolarHBondContact O-CG 3.45Å; L120-Q124 PolarHBondContact O-N 2.69Å; E121-Q124 WeakPolarHBondContact O-CB 3.39Å; E121-Q124 PolarHBondContact O-N 3.06Å; L122-Q124 PolarHBondContact O-N 3.39Å; Q124-G127 PolarHBondContact O-N 3.31Å; Q124-L128 WeakPolarHBondContact O-CG 3.14Å; Q124-L128 PolarHBondContact O-N 2.86Å; Q124-L128 VanDerWaalsContact O-N 3.08Å |
| 125 | G | 97.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.1 | -51.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E121 L122 G127 L128 D129 M147 | E121-G125 PolarHBondContact O-N 2.92Å; L122-G125 PolarHBondContact O-N 2.9Å; G125-G127 VanDerWaalsContact C-N 3.31Å; G125-G127 PolarHBondContact O-N 3.12Å; G125-L128 PolarHBondContact O-N 3.24Å; G125-D129 PolarHBondContact O-N 3.08Å; G125-D129 VanDerWaalsContact O-N 3.11Å; G125-M147 WeakPolarHBondContact O-CG 3.2Å |
| 126 | Q | 97.6 | Very high | 97.5 | Very high | 14 Ų | 14 | 55.5 Ų | 55.5 | 7% | 0.065 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.6 | -43.2 | 177.6 | -171 | 68.9 | 0.8 | 0 | 0 | 112.1 | D64 E67 L122 L128 D129 I130 | D64-Q126 PolarHBondContact OD1-NE2 3.45Å; E67-Q126 WeakPolarHBondContact OE2-CG 3.42Å; E67-Q126 PolarHBondContact OE2-NE2 3.33Å; L122-Q126 PolarHBondContact O-N 2.97Å; Q126-L128 VanDerWaalsContact C-N 3.34Å; Q126-L128 PolarHBondContact O-N 3.31Å; Q126-D129 WeakPolarHBondContact O-CB 3.26Å; Q126-D129 PolarHBondContact O-N 3.37Å; Q126-I130 HydrophobicContact CG-CD1 3.92Å; Q126-I130 WeakPolarHBondContact O-CG1 3.37Å; Q126-I130 PolarHBondContact O-N 2.81Å |
| 127 | G | 98.3 | Very high | 97.5 | Very high | 38 Ų | 38 | 55.7 Ų | 55.7 | 39% | 0.392 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.8 | -37.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | H123 Q124 G125 Y131 | H123-G127 PolarHBondContact O-N 3.11Å; Q124-G127 PolarHBondContact O-N 3.31Å; G125-G127 VanDerWaalsContact C-N 3.31Å; G125-G127 PolarHBondContact O-N 3.12Å; G127-Y131 WeakPolarHBondContact O-CB 3.42Å; G127-Y131 PolarHBondContact O-N 3.25Å |
| 128 | L | 98.4 | Very high | 97.6 | Very high | 64 Ų | 64 | 51.7 Ų | 51.7 | 34% | 0.335 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -68.2 | -42.7 | 174.6 | -73.5 | 172 | 0 | 0 | 0 | 112.1 | Q124 G125 Q126 I130 Y131 W132 M147 | Q124-L128 WeakPolarHBondContact O-CG 3.14Å; Q124-L128 PolarHBondContact O-N 2.86Å; Q124-L128 VanDerWaalsContact O-N 3.08Å; G125-L128 PolarHBondContact O-N 3.24Å; Q126-L128 VanDerWaalsContact C-N 3.34Å; Q126-L128 PolarHBondContact O-N 3.31Å; L128-I130 PolarHBondContact O-N 3.13Å; L128-Y131 PolarHBondContact O-N 2.97Å; L128-W132 HydrophobicContact CB-CH2 4.18Å; L128-W132 HydrophobicContact CB-CZ2 4.25Å; L128-W132 HydrophobicContact CB-CZ3 4.31Å; L128-W132 HydrophobicContact CD2-CZ2 4.4Å; L128-W132 VanDerWaalsContact O-CD2 3.25Å; L128-W132 PolarHBondContact O-N 3.25Å; L128-M147 HydrophobicContact CB-CB 4.41Å; L128-M147 HydrophobicContact CB-CG 3.79Å; L128-M147 HydrophobicContact CD1-CB 4.4Å; L128-M147 HydrophobicContact CD1-CG 4.49Å |
| 129 | D | 98.1 | Very high | 97.7 | Very high | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.027 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.2 | -49.9 | 176.6 | -157.8 | 15.9 | 0 | 0 | 0 | 110.7 | G125 Q126 R133 M147 K151 K212 | G125-D129 PolarHBondContact O-N 3.08Å; G125-D129 VanDerWaalsContact O-N 3.11Å; Q126-D129 WeakPolarHBondContact O-CB 3.26Å; Q126-D129 PolarHBondContact O-N 3.37Å; D129-R133 WeakPolarHBondContact O-CB 3.2Å; D129-R133 PolarHBondContact O-N 3.46Å; D129-M147 HydrophobicContact CB-CE 3.82Å; D129-M147 HydrophobicContact CB-SD 3.96Å; D129-K151 IonicContact OD2-NZ 2.77Å; D129-K151 PolarHBondContact OD2-NZ 2.99Å; D129-K212 VanDerWaalsContact OD2-CE 3.3Å; D129-K212 WeakPolarHBondContact OD2-CE 3.28Å; D129-K212 IonicContact OD2-NZ 3.75Å |
| 130 | I | 98.4 | Very high | 97.8 | Very high | 37 Ų | 37 | 52.4 Ų | 52.4 | 19% | 0.19 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 176.1 | -67 | 169.8 | 0 | 0 | 0 | 111.3 | E67 Q126 L128 W132 R133 D134 | E67-I130 HydrophobicContact CB-CD1 4.14Å; E67-I130 HydrophobicContact CG-CD1 4.18Å; Q126-I130 HydrophobicContact CG-CD1 3.92Å; Q126-I130 WeakPolarHBondContact O-CG1 3.37Å; Q126-I130 PolarHBondContact O-N 2.81Å; L128-I130 PolarHBondContact O-N 3.13Å; I130-W132 PolarHBondContact O-N 3.36Å; I130-R133 PolarHBondContact O-N 2.96Å; I130-D134 WeakPolarHBondContact O-CB 3.32Å; I130-D134 PolarHBondContact O-N 3.16Å |
| 131 | Y | 98.6 | Very high | 97.8 | Very high | 122 Ų | 122 | 49.3 Ų | 49.3 | 48% | 0.478 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -58.6 | -51 | -179.2 | 173.3 | -96 | 0 | 0 | 0 | 111.2 | G127 L128 R133 D134 N135 | G127-Y131 WeakPolarHBondContact O-CB 3.42Å; G127-Y131 PolarHBondContact O-N 3.25Å; L128-Y131 PolarHBondContact O-N 2.97Å; Y131-R133 VanDerWaalsContact C-N 3.32Å; Y131-R133 PolarHBondContact O-N 3.35Å; Y131-D134 PolarHBondContact O-N 2.49Å; Y131-N135 WeakPolarHBondContact CD2-OD1 3.44Å; Y131-N135 HydrophobicContact CE2-CB 4.29Å; Y131-N135 WeakPolarHBondContact CE2-OD1 3.3Å; Y131-N135 WeakPolarHBondContact O-CB 3.06Å; Y131-N135 PolarHBondContact O-N 2.96Å; Y131-N135 PolarHBondContact O-OD1 2.78Å; Y131-N135 VanDerWaalsContact O-OD1 3.13Å |
| 132 | W | 98.6 | Very high | 98 | Very high | 23 Ų | 23 | 53.2 Ų | 53.2 | 9% | 0.087 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.5 | -46.8 | 179.6 | -68.4 | -36.5 | 0 | 0 | 0 | 111.6 | L128 I130 Y136 T137 P139 E143 M147 F213 | L128-W132 HydrophobicContact CB-CH2 4.18Å; L128-W132 HydrophobicContact CB-CZ2 4.25Å; L128-W132 HydrophobicContact CB-CZ3 4.31Å; L128-W132 HydrophobicContact CD2-CZ2 4.4Å; L128-W132 VanDerWaalsContact O-CD2 3.25Å; L128-W132 PolarHBondContact O-N 3.25Å; I130-W132 PolarHBondContact O-N 3.36Å; W132-Y136 WeakPolarHBondContact O-CA 3.32Å; W132-Y136 PolarHBondContact O-N 2.93Å; W132-T137 VanDerWaalsContact CB-O 3.28Å; W132-T137 WeakPolarHBondContact CB-O 3.44Å; W132-T137 PolarHBondContact O-N 3.09Å; W132-P139 HydrophobicContact CD2-CB 3.73Å; W132-P139 HydrophobicContact CD2-CG 3.92Å; W132-P139 HydrophobicContact CE3-CB 3.8Å; W132-P139 HydrophobicContact CE3-CG 3.65Å; W132-P139 HydrophobicContact CG-CB 4.34Å; W132-P139 HydrophobicContact CG-CG 4.41Å; W132-P139 HydrophobicContact CH2-CB 3.92Å; W132-P139 HydrophobicContact CZ2-CB 3.88Å; W132-P139 HydrophobicContact CZ3-CB 3.88Å; W132-P139 HydrophobicContact CZ3-CG 3.96Å; W132-E143 HydrophobicContact CH2-CB 3.99Å; W132-E143 WeakPolarHBondContact CH2-O 3.38Å; W132-E143 HydrophobicContact CZ2-CB 3.94Å; W132-M147 HydrophobicContact CE3-CE 4.46Å; W132-M147 HydrophobicContact CH2-CB 3.55Å; W132-M147 HydrophobicContact CH2-CG 4.09Å; W132-M147 HydrophobicContact CZ3-CB 3.55Å; W132-M147 HydrophobicContact CZ3-CE 3.91Å; W132-M147 HydrophobicContact CZ3-CG 3.7Å; W132-F213 HydrophobicContact CB-CD2 4.15Å; W132-F213 VanDerWaalsContact O-CE2 3.29Å; W132-F213 WeakPolarHBondContact O-CE2 3.12Å |
| 133 | R | 97.9 | Very high | 98.1 | Very high | 9 Ų | 9 | 56.6 Ų | 56.6 | 3% | 0.034 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.7 | -53 | 176.9 | -179.2 | -171.3 | 71.9 | -168.5 | 4.2 | 112.5 | E67 D68 D129 I130 Y131 Y136 E210 | E67-R133 PolarHBondContact O-NH1 2.9Å; E67-R133 PolarHBondContact O-NH2 3.3Å; D68-R133 IonicContact OD1-CZ 3.64Å; D68-R133 IonicContact OD1-NH1 3.73Å; D68-R133 PolarHBondContact OD1-NH1 3.43Å; D129-R133 WeakPolarHBondContact O-CB 3.2Å; D129-R133 PolarHBondContact O-N 3.46Å; I130-R133 PolarHBondContact O-N 2.96Å; Y131-R133 VanDerWaalsContact C-N 3.32Å; Y131-R133 PolarHBondContact O-N 3.35Å; R133-Y136 PolarHBondContact O-N 3.01Å; R133-E210 WeakPolarHBondContact CD-OE1 3.13Å; R133-E210 IonicContact CZ-OE1 2.73Å; R133-E210 IonicContact NH1-OE1 3.58Å; R133-E210 PolarHBondContact NH1-OE1 3.03Å |
| 134 | D | 97.8 | Very high | 98.2 | Very high | 65 Ų | 65 | 51.9 Ų | 51.9 | 35% | 0.348 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -81.2 | -21.8 | -170.6 | -67.3 | -1.3 | 0 | 0 | 0 | 112.6 | I130 Y131 Y136 R237 | I130-D134 WeakPolarHBondContact O-CB 3.32Å; I130-D134 PolarHBondContact O-N 3.16Å; Y131-D134 PolarHBondContact O-N 2.49Å; D134-Y136 WeakPolarHBondContact O-CE2 3.34Å; D134-R237 IonicContact OD1-CZ 3.59Å; D134-R237 IonicContact OD1-NH1 3.79Å; D134-R237 IonicContact OD1-NH2 3.77Å; D134-R237 PolarHBondContact OD1-NH2 3.19Å |
| 135 | N | 98 | Very high | 98.2 | Very high | 86 Ų | 86 | 49 Ų | 49 | 46% | 0.46 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 7.2 | 171.4 | -65.6 | 88 | 0 | 0 | 0 | 113.3 | Y131 T137 | Y131-N135 WeakPolarHBondContact CD2-OD1 3.44Å; Y131-N135 HydrophobicContact CE2-CB 4.29Å; Y131-N135 WeakPolarHBondContact CE2-OD1 3.3Å; Y131-N135 WeakPolarHBondContact O-CB 3.06Å; Y131-N135 PolarHBondContact O-N 2.96Å; Y131-N135 PolarHBondContact O-OD1 2.78Å; Y131-N135 VanDerWaalsContact O-OD1 3.13Å; N135-T137 PolarHBondContact O-N 2.79Å; N135-T137 VanDerWaalsContact O-N 3.12Å; N135-T137 PolarHBondContact O-OG1 3.34Å; N135-T137 VanDerWaalsContact O-OG1 3.1Å |
| 136 | Y | 96.6 | Very high | 98.2 | Very high | 119 Ų | 119 | 51.5 Ų | 51.5 | 47% | 0.467 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 35.6 | 176.9 | -50.1 | -71.1 | 0 | 0 | 0 | 114.2 | W132 R133 D134 R235 | W132-Y136 WeakPolarHBondContact O-CA 3.32Å; W132-Y136 PolarHBondContact O-N 2.93Å; R133-Y136 PolarHBondContact O-N 3.01Å; D134-Y136 WeakPolarHBondContact O-CE2 3.34Å; Y136-R235 HydrophobicContact CD1-CB 3.94Å; Y136-R235 HydrophobicContact CD1-CG 3.81Å; Y136-R235 HydrophobicContact CE1-CB 3.89Å; Y136-R235 HydrophobicContact CE1-CG 3.52Å; Y136-R235 HydrophobicContact CG-CG 4.44Å |
| 137 | T | 97.9 | Very high | 98.3 | Very high | 72 Ų | 72 | 51 Ų | 51 | 44% | 0.442 | 27% | 0.265 | S | S | . | . | trans | -110.1 | 100.1 | -178.6 | -57.1 | 0 | 0 | 0 | 0 | 108.4 | W132 N135 | W132-T137 VanDerWaalsContact CB-O 3.28Å; W132-T137 WeakPolarHBondContact CB-O 3.44Å; W132-T137 PolarHBondContact O-N 3.09Å; N135-T137 PolarHBondContact O-N 2.79Å; N135-T137 VanDerWaalsContact O-N 3.12Å; N135-T137 PolarHBondContact O-OG1 3.34Å; N135-T137 VanDerWaalsContact O-OG1 3.1Å | ||
| 138 | C | 98.4 | Very high | 98.2 | Very high | 22 Ų | 22 | 49.2 Ų | 49.2 | 15% | 0.149 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -63.4 | 123.8 | 178.4 | -174.7 | 0 | 0 | 0 | 0 | 109.6 | F213 I221 | C138-F213 HydrophobicContact CB-CD1 3.8Å; C138-F213 HydrophobicContact CB-CE1 3.64Å; C138-F213 HydrophobicContact CB-CG 4.37Å; C138-F213 HydrophobicContact CB-CZ 4.1Å; C138-I221 HydrophobicContact CB-CD1 4.27Å; C138-I221 HydrophobicContact CB-CG2 4.14Å |
| 139 | P | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -70.1 | 159.2 | 175.4 | 31.3 | -36.1 | 0 | 0 | 0 | 110.7 | W132 E143 F213 I218 W222 | W132-P139 HydrophobicContact CD2-CB 3.73Å; W132-P139 HydrophobicContact CD2-CG 3.92Å; W132-P139 HydrophobicContact CE3-CB 3.8Å; W132-P139 HydrophobicContact CE3-CG 3.65Å; W132-P139 HydrophobicContact CG-CB 4.34Å; W132-P139 HydrophobicContact CG-CG 4.41Å; W132-P139 HydrophobicContact CH2-CB 3.92Å; W132-P139 HydrophobicContact CZ2-CB 3.88Å; W132-P139 HydrophobicContact CZ3-CB 3.88Å; W132-P139 HydrophobicContact CZ3-CG 3.96Å; P139-E143 HydrophobicContact CB-CB 4Å; P139-F213 HydrophobicContact CG-CB 4.35Å; P139-I218 HydrophobicContact CG-CD1 3.82Å; P139-I218 HydrophobicContact CG-CG1 4.33Å; P139-W222 PolarHBondContact O-NE1 3.35Å |
| 140 | T | 98.8 | Very high | 97.9 | Very high | 51 Ų | 51 | 50.5 Ų | 50.5 | 31% | 0.313 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 161.5 | 160.8 | 62.5 | 0 | 0 | 0 | 0 | 110.5 | E142 E143 Y144 W222 | T140-E142 VanDerWaalsContact C-N 3.25Å; T140-E142 PolarHBondContact O-N 3.46Å; T140-E143 WeakPolarHBondContact CB-OE2 3.24Å; T140-E143 WeakPolarHBondContact CG2-OE2 3.43Å; T140-E143 PolarHBondContact N-OE2 2.75Å; T140-E143 PolarHBondContact O-N 3.39Å; T140-E143 WeakPolarHBondContact OG1-CB 3.45Å; T140-E143 VanDerWaalsContact OG1-CD 3.29Å; T140-E143 VanDerWaalsContact OG1-CG 3.26Å; T140-E143 WeakPolarHBondContact OG1-CG 3.29Å; T140-E143 PolarHBondContact OG1-N 2.91Å; T140-E143 PolarHBondContact OG1-OE2 3.43Å; T140-Y144 PolarHBondContact O-N 3.02Å; T140-W222 HydrophobicContact CG2-CH2 3.99Å; T140-W222 HydrophobicContact CG2-CZ2 3.7Å |
| 141 | E | 98.6 | Very high | 97.5 | Very high | 39 Ų | 39 | 49.9 Ų | 49.9 | 18% | 0.182 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.6 | -36.9 | 176.5 | -170.7 | -179.7 | 131.1 | 0 | 0 | 112.4 | Y144 K145 F215 Y259 | E141-Y144 PolarHBondContact O-N 3.4Å; E141-K145 HydrophobicContact CG-CD 4.44Å; E141-K145 WeakPolarHBondContact O-CB 3.37Å; E141-K145 VanDerWaalsContact O-CG 3.3Å; E141-K145 WeakPolarHBondContact O-CG 3.34Å; E141-K145 PolarHBondContact O-N 2.85Å; E141-K145 WeakPolarHBondContact OE1-CE 3.4Å; E141-K145 IonicContact OE1-NZ 3.98Å; E141-K145 PolarHBondContact OE1-NZ 2.95Å; E141-F215 HydrophobicContact CG-CE2 3.67Å; E141-F215 HydrophobicContact CG-CZ 4.24Å; E141-Y259 PolarHBondContact OE1-OH 2.71Å; E141-Y259 WeakPolarHBondContact OE2-CE1 3.14Å; E141-Y259 PolarHBondContact OE2-OH 2.73Å |
| 142 | E | 98.5 | Very high | 96.9 | Very high | 125 Ų | 125 | 44.7 Ų | 44.7 | 58% | 0.584 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -70.4 | -38.9 | 179.2 | -67.7 | -56.9 | 121.3 | 0 | 0 | 112.3 | T140 K145 A146 | T140-E142 VanDerWaalsContact C-N 3.25Å; T140-E142 PolarHBondContact O-N 3.46Å; E142-K145 PolarHBondContact O-N 3.2Å; E142-K145 IonicContact OE1-NZ 3.71Å; E142-K145 PolarHBondContact OE1-NZ 3.5Å; E142-A146 WeakPolarHBondContact O-CB 3.35Å; E142-A146 PolarHBondContact O-N 3.04Å |
| 143 | E | 98.7 | Very high | 96.1 | Very high | 93 Ų | 93 | 43.9 Ų | 43.9 | 44% | 0.435 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.6 | -45.8 | 172.2 | -73.7 | 165 | 140.3 | 0 | 0 | 111.1 | W132 P139 T140 K145 A146 M147 | W132-E143 HydrophobicContact CH2-CB 3.99Å; W132-E143 WeakPolarHBondContact CH2-O 3.38Å; W132-E143 HydrophobicContact CZ2-CB 3.94Å; P139-E143 HydrophobicContact CB-CB 4Å; T140-E143 WeakPolarHBondContact CB-OE2 3.24Å; T140-E143 WeakPolarHBondContact CG2-OE2 3.43Å; T140-E143 PolarHBondContact N-OE2 2.75Å; T140-E143 PolarHBondContact O-N 3.39Å; T140-E143 WeakPolarHBondContact OG1-CB 3.45Å; T140-E143 VanDerWaalsContact OG1-CD 3.29Å; T140-E143 VanDerWaalsContact OG1-CG 3.26Å; T140-E143 WeakPolarHBondContact OG1-CG 3.29Å; T140-E143 PolarHBondContact OG1-N 2.91Å; T140-E143 PolarHBondContact OG1-OE2 3.43Å; E143-K145 PolarHBondContact O-N 3.14Å; E143-A146 PolarHBondContact O-N 3.47Å; E143-M147 PolarHBondContact O-N 2.96Å |
| 144 | Y | 98.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.1 | -50.1 | 174.4 | 167.7 | -87 | 0 | 0 | 0 | 110.9 | T140 E141 A146 M147 V148 Q185 I186 D189 F215 I218 | T140-Y144 PolarHBondContact O-N 3.02Å; E141-Y144 PolarHBondContact O-N 3.4Å; Y144-A146 VanDerWaalsContact C-N 3.31Å; Y144-A146 PolarHBondContact O-N 3.39Å; Y144-M147 HydrophobicContact CD2-CE 4.13Å; Y144-M147 HydrophobicContact CE2-CE 4.38Å; Y144-M147 PolarHBondContact O-N 2.89Å; Y144-V148 HydrophobicContact CD1-CG2 4.12Å; Y144-V148 HydrophobicContact CD2-CG2 4.31Å; Y144-V148 HydrophobicContact CE1-CG2 3.63Å; Y144-V148 HydrophobicContact CE2-CG2 3.9Å; Y144-V148 HydrophobicContact CG-CG2 4.42Å; Y144-V148 WeakPolarHBondContact O-CG2 3.23Å; Y144-V148 PolarHBondContact O-N 3.41Å; Y144-Q185 WeakPolarHBondContact OH-CG 3.26Å; Y144-I186 HydrophobicContact CE1-CG1 4.03Å; Y144-D189 PolarHBondContact OH-OD2 3.05Å; Y144-F215 AromaticContact CD1-CD2 3.81Å; Y144-F215 HydrophobicContact CD1-CD2 3.81Å; Y144-F215 HydrophobicContact CD1-CE2 4.48Å; Y144-F215 HydrophobicContact CE1-CB 4.12Å; Y144-F215 AromaticContact CE1-CD2 3.53Å; Y144-F215 HydrophobicContact CE1-CD2 3.53Å; Y144-F215 HydrophobicContact CE1-CE2 4.44Å; Y144-F215 HydrophobicContact CE1-CG 4.3Å; Y144-I218 HydrophobicContact CD2-CD1 3.36Å; Y144-I218 HydrophobicContact CE2-CD1 4.14Å; Y144-I218 HydrophobicContact CG-CD1 3.59Å |
| 145 | K | 98.3 | Very high | 95 | Very high | 43 Ų | 43 | 40.7 Ų | 40.7 | 19% | 0.187 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.1 | -44.6 | 178.2 | -74.7 | 172.2 | -173.8 | 158.2 | 0 | 111.1 | E141 E142 E143 M147 V148 L149 L182 | E141-K145 HydrophobicContact CG-CD 4.44Å; E141-K145 WeakPolarHBondContact O-CB 3.37Å; E141-K145 VanDerWaalsContact O-CG 3.3Å; E141-K145 WeakPolarHBondContact O-CG 3.34Å; E141-K145 PolarHBondContact O-N 2.85Å; E141-K145 WeakPolarHBondContact OE1-CE 3.4Å; E141-K145 IonicContact OE1-NZ 3.98Å; E141-K145 PolarHBondContact OE1-NZ 2.95Å; E142-K145 PolarHBondContact O-N 3.2Å; E142-K145 IonicContact OE1-NZ 3.71Å; E142-K145 PolarHBondContact OE1-NZ 3.5Å; E143-K145 PolarHBondContact O-N 3.14Å; K145-M147 PolarHBondContact O-N 3.18Å; K145-V148 PolarHBondContact O-N 3.49Å; K145-L149 VanDerWaalsContact O-CG 3.31Å; K145-L149 WeakPolarHBondContact O-CG 3.48Å; K145-L149 PolarHBondContact O-N 3.45Å; K145-L182 HydrophobicContact CB-CD2 3.8Å; K145-L182 HydrophobicContact CG-CD2 3.86Å |
| 146 | A | 98.1 | Very high | 94.7 | Very high | 53 Ų | 53 | 36.8 Ų | 36.8 | 44% | 0.438 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.4 | -43.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E142 E143 Y144 L149 Q150 | E142-A146 WeakPolarHBondContact O-CB 3.35Å; E142-A146 PolarHBondContact O-N 3.04Å; E143-A146 PolarHBondContact O-N 3.47Å; Y144-A146 VanDerWaalsContact C-N 3.31Å; Y144-A146 PolarHBondContact O-N 3.39Å; A146-L149 WeakPolarHBondContact O-CB 3.47Å; A146-L149 PolarHBondContact O-N 3.2Å; A146-Q150 PolarHBondContact O-N 3.06Å |
| 147 | M | 98.1 | Very high | 94.5 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.015 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.7 | -43.8 | 174.8 | 176.2 | -77.1 | -76.1 | 0 | 0 | 111.6 | G125 L128 D129 W132 E143 Y144 K145 L149 Q150 K151 | G125-M147 WeakPolarHBondContact O-CG 3.2Å; L128-M147 HydrophobicContact CB-CB 4.41Å; L128-M147 HydrophobicContact CB-CG 3.79Å; L128-M147 HydrophobicContact CD1-CB 4.4Å; L128-M147 HydrophobicContact CD1-CG 4.49Å; D129-M147 HydrophobicContact CB-CE 3.82Å; D129-M147 HydrophobicContact CB-SD 3.96Å; W132-M147 HydrophobicContact CE3-CE 4.46Å; W132-M147 HydrophobicContact CH2-CB 3.55Å; W132-M147 HydrophobicContact CH2-CG 4.09Å; W132-M147 HydrophobicContact CZ3-CB 3.55Å; W132-M147 HydrophobicContact CZ3-CE 3.91Å; W132-M147 HydrophobicContact CZ3-CG 3.7Å; E143-M147 PolarHBondContact O-N 2.96Å; Y144-M147 HydrophobicContact CD2-CE 4.13Å; Y144-M147 HydrophobicContact CE2-CE 4.38Å; Y144-M147 PolarHBondContact O-N 2.89Å; K145-M147 PolarHBondContact O-N 3.18Å; M147-L149 VanDerWaalsContact C-N 3.3Å; M147-L149 PolarHBondContact O-N 2.79Å; M147-Q150 CarbonylContact O-C 3.58Å; M147-Q150 WeakPolarHBondContact O-CA 3.25Å; M147-Q150 VanDerWaalsContact O-CB 3.31Å; M147-Q150 WeakPolarHBondContact O-CB 3.49Å; M147-Q150 PolarHBondContact O-N 3.36Å; M147-K151 PolarHBondContact O-N 2.92Å; M147-K151 HydrophobicContact SD-CB 4Å; M147-K151 HydrophobicContact SD-CD 4.16Å |
| 148 | V | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.6 | -37.1 | 178.5 | 169.3 | 0 | 0 | 0 | 0 | 112.2 | Y144 K145 Q150 K151 T152 G153 L182 Q185 | Y144-V148 HydrophobicContact CD1-CG2 4.12Å; Y144-V148 HydrophobicContact CD2-CG2 4.31Å; Y144-V148 HydrophobicContact CE1-CG2 3.63Å; Y144-V148 HydrophobicContact CE2-CG2 3.9Å; Y144-V148 HydrophobicContact CG-CG2 4.42Å; Y144-V148 WeakPolarHBondContact O-CG2 3.23Å; Y144-V148 PolarHBondContact O-N 3.41Å; K145-V148 PolarHBondContact O-N 3.49Å; V148-Q150 PolarHBondContact O-N 2.84Å; V148-K151 PolarHBondContact O-N 3.5Å; V148-T152 PolarHBondContact O-N 3.23Å; V148-G153 PolarHBondContact O-N 3.4Å; V148-L182 HydrophobicContact CB-CD2 3.97Å; V148-L182 HydrophobicContact CG1-CD2 3.82Å; V148-Q185 HydrophobicContact CB-CB 4.45Å; V148-Q185 HydrophobicContact CB-CG 4.42Å; V148-Q185 HydrophobicContact CG1-CB 3.38Å; V148-Q185 HydrophobicContact CG1-CG 3.83Å; V148-Q185 HydrophobicContact CG2-CB 4.19Å; V148-Q185 HydrophobicContact CG2-CG 3.69Å |
| 149 | L | 95.2 | Very high | 94.3 | Very high | 46 Ų | 46 | 27.4 Ų | 27.4 | 24% | 0.241 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.2 | -27.6 | 173.9 | -67.2 | -179.3 | 0 | 0 | 0 | 112.3 | K145 A146 M147 G153 N178 L182 | K145-L149 VanDerWaalsContact O-CG 3.31Å; K145-L149 WeakPolarHBondContact O-CG 3.48Å; K145-L149 PolarHBondContact O-N 3.45Å; A146-L149 WeakPolarHBondContact O-CB 3.47Å; A146-L149 PolarHBondContact O-N 3.2Å; M147-L149 VanDerWaalsContact C-N 3.3Å; M147-L149 PolarHBondContact O-N 2.79Å; L149-G153 CarbonylContact O-C 3.59Å; L149-G153 WeakPolarHBondContact O-CA 3.42Å; L149-G153 PolarHBondContact O-N 3.31Å; L149-N178 HydrophobicContact CD1-CB 4.49Å; L149-N178 VanDerWaalsContact CD2-CA 3.46Å; L149-N178 HydrophobicContact CD2-CB 3.48Å; L149-N178 VanDerWaalsContact CD2-CB 3.48Å; L149-N178 VanDerWaalsContact CD2-O 3.29Å; L149-N178 WeakPolarHBondContact CD2-O 3.34Å; L149-L182 HydrophobicContact CD2-CD1 4.22Å; L149-L182 HydrophobicContact CD2-CD2 4.3Å; L149-L182 HydrophobicContact CD2-CG 3.83Å; L149-L182 HydrophobicContact CG-CD2 4.42Å; L149-L182 HydrophobicContact CG-CG 4.42Å |
| 150 | Q | 94.1 | Very high | 94.3 | Very high | 50 Ų | 50 | 27.3 Ų | 27.3 | 23% | 0.234 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -82.7 | -54.6 | 174.3 | -65.3 | 175.7 | -52.8 | 0 | 0 | 111.5 | E121 A146 M147 V148 G154 | E121-Q150 WeakPolarHBondContact O-CB 3.44Å; A146-Q150 PolarHBondContact O-N 3.06Å; M147-Q150 CarbonylContact O-C 3.58Å; M147-Q150 WeakPolarHBondContact O-CA 3.25Å; M147-Q150 VanDerWaalsContact O-CB 3.31Å; M147-Q150 WeakPolarHBondContact O-CB 3.49Å; M147-Q150 PolarHBondContact O-N 3.36Å; V148-Q150 PolarHBondContact O-N 2.84Å; Q150-G154 VanDerWaalsContact O-CA 3.25Å; Q150-G154 WeakPolarHBondContact O-CA 3.41Å; Q150-G154 PolarHBondContact O-N 2.82Å |
| 151 | K | 91.8 | Very high | 94.2 | Very high | 24 Ų | 24 | 25.3 Ų | 25.3 | 10% | 0.104 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.9 | -57.9 | -176.8 | 177.5 | 172 | 172.4 | 153.7 | 0 | 112.3 | D64 D129 M147 V148 | D64-K151 IonicContact OD1-NZ 3.06Å; D64-K151 PolarHBondContact OD1-NZ 3.24Å; D129-K151 IonicContact OD2-NZ 2.77Å; D129-K151 PolarHBondContact OD2-NZ 2.99Å; M147-K151 PolarHBondContact O-N 2.92Å; M147-K151 HydrophobicContact SD-CB 4Å; M147-K151 HydrophobicContact SD-CD 4.16Å; V148-K151 PolarHBondContact O-N 3.5Å |
| 152 | T | 84.1 | Confident | 94.2 | Very high | 13 Ų | 13 | 23.4 Ų | 23.4 | 8% | 0.08 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -91.1 | -38.5 | -174.2 | -63.8 | 0 | 0 | 0 | 0 | 111.5 | V148 G154 F156 F184 Q185 | V148-T152 PolarHBondContact O-N 3.23Å; T152-G154 VanDerWaalsContact C-N 3.27Å; T152-G154 PolarHBondContact O-N 3.47Å; T152-F156 HydrophobicContact CG2-CE2 4.22Å; T152-F184 HydrophobicContact CG2-CB 4.31Å; T152-Q185 PolarHBondContact OG1-OE1 3.47Å |
| 153 | G | 81.9 | Confident | 94.2 | Very high | 7 Ų | 7 | 17.5 Ų | 17.5 | 7% | 0.072 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66.4 | -27.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V148 L149 L155 F156 G157 | V148-G153 PolarHBondContact O-N 3.4Å; L149-G153 CarbonylContact O-C 3.59Å; L149-G153 WeakPolarHBondContact O-CA 3.42Å; L149-G153 PolarHBondContact O-N 3.31Å; G153-L155 PolarHBondContact O-N 3.03Å; G153-F156 PolarHBondContact O-N 3.46Å; G153-G157 PolarHBondContact O-N 2.86Å |
| 154 | G | 84.2 | Confident | 94.1 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -57.4 | -45.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q118 Q150 T152 L158 | Q118-G154 PolarHBondContact NE2-O 3.25Å; Q150-G154 VanDerWaalsContact O-CA 3.25Å; Q150-G154 WeakPolarHBondContact O-CA 3.41Å; Q150-G154 PolarHBondContact O-N 2.82Å; T152-G154 VanDerWaalsContact C-N 3.27Å; T152-G154 PolarHBondContact O-N 3.47Å; G154-L158 PolarHBondContact O-N 3.11Å |
| 155 | L | 89.8 | Confident | 94.1 | Very high | 5 Ų | 5 | 17.4 Ų | 17.4 | 3% | 0.026 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -79.3 | -32.5 | -178.5 | -164 | 57.4 | 0 | 0 | 0 | 112.8 | T53 L56 H57 L122 G153 L158 A159 | T53-L155 HydrophobicContact CG2-CG 4.31Å; L56-L155 HydrophobicContact CB-CD1 3.91Å; L56-L155 HydrophobicContact CD1-CD1 4.09Å; H57-L155 HydrophobicContact CB-CD2 3.7Å; L122-L155 HydrophobicContact CD1-CB 4.37Å; G153-L155 PolarHBondContact O-N 3.03Å; L155-L158 HydrophobicContact CD1-CB 4.49Å; L155-L158 HydrophobicContact CD1-CD2 4Å; L155-L158 PolarHBondContact O-N 2.64Å; L155-A159 PolarHBondContact O-N 3.31Å |
| 156 | F | 90.9 | Very high | 94.1 | Very high | 5 Ų | 5 | 17.5 Ų | 17.5 | 2% | 0.022 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.3 | -41.6 | 171.2 | -68.1 | -16 | 0 | 0 | 0 | 111.9 | R28 L31 T152 G153 L158 A159 V160 L177 F184 | R28-F156 HydrophobicContact CG-CD1 4.36Å; R28-F156 HydrophobicContact CG-CE1 3.85Å; L31-F156 HydrophobicContact CD1-CD1 4.43Å; L31-F156 HydrophobicContact CD1-CE1 4.22Å; L31-F156 HydrophobicContact CD1-CE2 4.34Å; L31-F156 HydrophobicContact CD1-CZ 4.17Å; T152-F156 HydrophobicContact CG2-CE2 4.22Å; G153-F156 PolarHBondContact O-N 3.46Å; F156-L158 VanDerWaalsContact C-N 3.27Å; F156-L158 PolarHBondContact O-N 3.27Å; F156-A159 PolarHBondContact O-N 3.43Å; F156-V160 PolarHBondContact O-N 2.97Å; F156-L177 HydrophobicContact CB-CD2 4.2Å; F156-F184 HydrophobicContact CE2-CB 4.26Å; F156-F184 AromaticContact CE2-CD2 3.54Å; F156-F184 HydrophobicContact CE2-CD2 3.54Å; F156-F184 HydrophobicContact CE2-CE2 4.11Å; F156-F184 HydrophobicContact CE2-CG 4.01Å; F156-F184 HydrophobicContact CZ-CB 4.36Å; F156-F184 HydrophobicContact CZ-CD1 4.38Å; F156-F184 AromaticContact CZ-CD2 3.66Å; F156-F184 HydrophobicContact CZ-CD2 3.66Å; F156-F184 AromaticContact CZ-CE2 4Å; F156-F184 HydrophobicContact CZ-CE2 4Å; F156-F184 AromaticContact CZ-CG 3.87Å; F156-F184 HydrophobicContact CZ-CG 3.87Å; F156-F184 HydrophobicContact CZ-CZ 4.47Å |
| 157 | G | 92.9 | Very high | 94.1 | Very high | 12 Ų | 12 | 15.3 Ų | 15.3 | 12% | 0.124 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -64.5 | -30.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | G153 G161 | G153-G157 PolarHBondContact O-N 2.86Å; G157-G161 VanDerWaalsContact O-CA 3.24Å; G157-G161 WeakPolarHBondContact O-CA 3.47Å; G157-G161 PolarHBondContact O-N 3.1Å |
| 158 | L | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.1 | -54.3 | 171 | -179.2 | 60.1 | 0 | 0 | 0 | 111.8 | L56 L114 F115 Q118 L119 G154 L155 F156 G161 L162 | L56-L158 HydrophobicContact CD1-CD2 3.16Å; L114-L158 HydrophobicContact CD2-CD1 3.6Å; F115-L158 HydrophobicContact CB-CD1 4.26Å; F115-L158 HydrophobicContact CD2-CD1 4.38Å; F115-L158 HydrophobicContact CD2-CD2 4.24Å; Q118-L158 HydrophobicContact CB-CB 3.88Å; Q118-L158 HydrophobicContact CB-CD1 4.18Å; Q118-L158 HydrophobicContact CG-CB 3.96Å; Q118-L158 HydrophobicContact CG-CD1 4.24Å; L119-L158 HydrophobicContact CD1-CD2 4.05Å; G154-L158 PolarHBondContact O-N 3.11Å; L155-L158 HydrophobicContact CD1-CB 4.49Å; L155-L158 HydrophobicContact CD1-CD2 4Å; L155-L158 PolarHBondContact O-N 2.64Å; F156-L158 VanDerWaalsContact C-N 3.27Å; F156-L158 PolarHBondContact O-N 3.27Å; L158-G161 PolarHBondContact O-N 2.64Å; L158-L162 HydrophobicContact CD1-CD1 3.8Å; L158-L162 HydrophobicContact CD1-CG 3.96Å; L158-L162 HydrophobicContact CG-CD1 4.11Å; L158-L162 WeakPolarHBondContact O-CB 3.48Å; L158-L162 VanDerWaalsContact O-CG 3.29Å; L158-L162 WeakPolarHBondContact O-CG 3.42Å; L158-L162 PolarHBondContact O-N 3.32Å |
| 159 | A | 96.4 | Very high | 94.1 | Very high | 3 Ų | 3 | 25.4 Ų | 25.4 | 3% | 0.025 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.7 | -54.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T53 L155 F156 L162 M163 | T53-A159 HydrophobicContact CG2-CB 3.93Å; T53-A159 WeakPolarHBondContact OG1-CB 3.27Å; L155-A159 PolarHBondContact O-N 3.31Å; F156-A159 PolarHBondContact O-N 3.43Å; A159-L162 PolarHBondContact O-N 2.93Å; A159-M163 VanDerWaalsContact O-CG 3.22Å; A159-M163 WeakPolarHBondContact O-CG 3.34Å; A159-M163 PolarHBondContact O-N 3.1Å; A159-M163 VanDerWaalsContact O-N 3.08Å |
| 160 | V | 97.2 | Very high | 94 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -71.3 | -35.4 | -177.7 | 173.5 | 0 | 0 | 0 | 0 | 112 | L31 F35 L39 F156 M163 Q164 L173 L177 | L31-V160 HydrophobicContact CD2-CG2 4.36Å; F35-V160 HydrophobicContact CB-CG2 4.13Å; F35-V160 HydrophobicContact CD1-CG1 4.1Å; F35-V160 HydrophobicContact CD1-CG2 3.91Å; F35-V160 HydrophobicContact CD2-CG2 4.05Å; F35-V160 HydrophobicContact CE1-CG1 4.42Å; F35-V160 HydrophobicContact CE1-CG2 4.31Å; F35-V160 HydrophobicContact CE2-CG2 4.45Å; F35-V160 HydrophobicContact CG-CG2 3.76Å; L39-V160 HydrophobicContact CD1-CG1 4.03Å; F156-V160 PolarHBondContact O-N 2.97Å; V160-M163 WeakPolarHBondContact O-CB 3.42Å; V160-M163 PolarHBondContact O-N 3.23Å; V160-Q164 WeakPolarHBondContact O-CG 3.13Å; V160-Q164 PolarHBondContact O-N 2.97Å; V160-L173 HydrophobicContact CG1-CB 4.33Å; V160-L173 HydrophobicContact CG1-CD1 3.71Å; V160-L177 HydrophobicContact CB-CD1 3.95Å; V160-L177 HydrophobicContact CB-CD2 4.17Å; V160-L177 HydrophobicContact CG1-CD1 3.91Å; V160-L177 HydrophobicContact CG1-CD2 4.49Å; V160-L177 HydrophobicContact CG2-CD1 4.5Å; V160-L177 HydrophobicContact CG2-CD2 3.81Å |
| 161 | G | 97.4 | Very high | 94.1 | Very high | 8 Ų | 8 | 33.8 Ų | 33.8 | 8% | 0.082 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.8 | -43.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L114 G157 L158 M163 Q164 L165 | L114-G161 VanDerWaalsContact CD1-C 3.4Å; L114-G161 WeakPolarHBondContact CD1-O 3.24Å; G157-G161 VanDerWaalsContact O-CA 3.24Å; G157-G161 WeakPolarHBondContact O-CA 3.47Å; G157-G161 PolarHBondContact O-N 3.1Å; L158-G161 PolarHBondContact O-N 2.64Å; G161-M163 VanDerWaalsContact C-N 3.32Å; G161-Q164 PolarHBondContact O-N 3.32Å; G161-L165 PolarHBondContact O-N 3.07Å |
| 162 | L | 98.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.5 | -40.8 | 173 | -71 | 174 | 0 | 0 | 0 | 111.3 | I49 V103 L106 A111 L114 L158 A159 Q164 L165 F166 | I49-L162 HydrophobicContact CD1-CB 3.91Å; I49-L162 HydrophobicContact CG1-CB 3.86Å; I49-L162 HydrophobicContact CG1-CD1 4.39Å; I49-L162 HydrophobicContact CG2-CB 4.05Å; I49-L162 HydrophobicContact CG2-CD1 4.33Å; V103-L162 HydrophobicContact CG2-CD1 4.45Å; L106-L162 HydrophobicContact CD1-CD1 4.27Å; L106-L162 HydrophobicContact CD1-CD2 4.09Å; A111-L162 HydrophobicContact CB-CD2 4.02Å; L114-L162 HydrophobicContact CD2-CD2 4.21Å; L114-L162 HydrophobicContact CD2-CG 4.1Å; L158-L162 HydrophobicContact CD1-CD1 3.8Å; L158-L162 HydrophobicContact CD1-CG 3.96Å; L158-L162 HydrophobicContact CG-CD1 4.11Å; L158-L162 WeakPolarHBondContact O-CB 3.48Å; L158-L162 VanDerWaalsContact O-CG 3.29Å; L158-L162 WeakPolarHBondContact O-CG 3.42Å; L158-L162 PolarHBondContact O-N 3.32Å; A159-L162 PolarHBondContact O-N 2.93Å; L162-Q164 VanDerWaalsContact C-N 3.32Å; L162-Q164 PolarHBondContact O-N 2.93Å; L162-L165 HydrophobicContact CD2-CD1 4.13Å; L162-L165 WeakPolarHBondContact O-CB 3.33Å; L162-L165 PolarHBondContact O-N 3.04Å; L162-F166 WeakPolarHBondContact O-CD2 3.36Å |
| 163 | M | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.4 | -40.8 | 175.9 | -70.7 | 167.2 | 76.8 | 0 | 0 | 111.9 | S32 F35 N36 L39 V41 L46 I49 A159 V160 G161 L165 F166 S167 | S32-M163 WeakPolarHBondContact O-CE 3.47Å; F35-M163 HydrophobicContact CB-CE 4.18Å; N36-M163 HydrophobicContact CB-CE 3.81Å; L39-M163 HydrophobicContact CB-CE 4.3Å; L39-M163 HydrophobicContact CD1-CB 3.58Å; L39-M163 HydrophobicContact CD1-CE 3.78Å; L39-M163 HydrophobicContact CD1-CG 4.48Å; L39-M163 HydrophobicContact CD1-SD 4.2Å; V41-M163 HydrophobicContact CG2-CB 3.68Å; V41-M163 HydrophobicContact CG2-CE 4.35Å; V41-M163 HydrophobicContact CG2-CG 4.09Å; V41-M163 WeakPolarHBondContact CG2-O 3.37Å; L46-M163 HydrophobicContact CD1-CE 3.83Å; L46-M163 HydrophobicContact CD1-CG 4.27Å; L46-M163 HydrophobicContact CD1-SD 4.24Å; I49-M163 HydrophobicContact CD1-CG 3.97Å; I49-M163 HydrophobicContact CG2-CG 4.13Å; A159-M163 VanDerWaalsContact O-CG 3.22Å; A159-M163 WeakPolarHBondContact O-CG 3.34Å; A159-M163 PolarHBondContact O-N 3.1Å; A159-M163 VanDerWaalsContact O-N 3.08Å; V160-M163 WeakPolarHBondContact O-CB 3.42Å; V160-M163 PolarHBondContact O-N 3.23Å; G161-M163 VanDerWaalsContact C-N 3.32Å; M163-L165 PolarHBondContact O-N 3.36Å; M163-F166 PolarHBondContact O-N 3.46Å; M163-F166 VanDerWaalsContact O-N 3.1Å; M163-S167 PolarHBondContact O-N 3.17Å |
| 164 | Q | 98.1 | Very high | 95.6 | Very high | 52 Ų | 52 | 41.4 Ų | 41.4 | 24% | 0.243 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.3 | -23.2 | 178.6 | -76.8 | -174.2 | -64.9 | 0 | 0 | 114.1 | L39 V160 G161 L162 F166 S167 K170 E171 | L39-Q164 HydrophobicContact CD1-CG 4.39Å; L39-Q164 HydrophobicContact CD2-CG 3.7Å; V160-Q164 WeakPolarHBondContact O-CG 3.13Å; V160-Q164 PolarHBondContact O-N 2.97Å; G161-Q164 PolarHBondContact O-N 3.32Å; L162-Q164 VanDerWaalsContact C-N 3.32Å; L162-Q164 PolarHBondContact O-N 2.93Å; Q164-F166 PolarHBondContact O-N 3.36Å; Q164-S167 PolarHBondContact O-N 3Å; Q164-K170 PolarHBondContact O-NZ 3.12Å; Q164-E171 PolarHBondContact NE2-O 2.92Å |
| 165 | L | 98.1 | Very high | 96.2 | Very high | 40 Ų | 40 | 43.8 Ų | 43.8 | 21% | 0.209 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65 | -27.4 | 174.5 | -60.7 | 179.7 | 0 | 0 | 0 | 112.1 | D110 A111 L114 G161 L162 M163 | D110-L165 HydrophobicContact CB-CD1 4.42Å; D110-L165 HydrophobicContact CB-CD2 4.1Å; A111-L165 HydrophobicContact CB-CD1 4.16Å; L114-L165 HydrophobicContact CD1-CD1 4.41Å; L114-L165 HydrophobicContact CD1-CD2 4.49Å; L114-L165 HydrophobicContact CD1-CG 4.44Å; G161-L165 PolarHBondContact O-N 3.07Å; L162-L165 HydrophobicContact CD2-CD1 4.13Å; L162-L165 WeakPolarHBondContact O-CB 3.33Å; L162-L165 PolarHBondContact O-N 3.04Å; M163-L165 PolarHBondContact O-N 3.36Å |
| 166 | F | 98.3 | Very high | 96.6 | Very high | 46 Ų | 46 | 43.5 Ų | 43.5 | 20% | 0.202 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 16.7 | -177.1 | -59.6 | -77.9 | 0 | 0 | 0 | 113.1 | V41 K45 I49 L106 H108 L162 M163 Q164 | V41-F166 HydrophobicContact CG1-CB 3.98Å; K45-F166 HydrophobicContact CB-CD2 4.31Å; K45-F166 HydrophobicContact CB-CG 4.29Å; K45-F166 HydrophobicContact CD-CD1 4.37Å; K45-F166 HydrophobicContact CD-CE1 4.04Å; K45-F166 HydrophobicContact CD-CZ 4.21Å; K45-F166 HydrophobicContact CG-CD1 4.05Å; K45-F166 HydrophobicContact CG-CE1 4.24Å; K45-F166 HydrophobicContact CG-CG 4.24Å; I49-F166 HydrophobicContact CD1-CD2 4.3Å; L106-F166 HydrophobicContact CB-CE2 4.19Å; L106-F166 HydrophobicContact CB-CZ 3.89Å; L106-F166 HydrophobicContact CD1-CE2 4.38Å; L106-F166 HydrophobicContact CD2-CE2 4.07Å; L106-F166 HydrophobicContact CD2-CZ 4.31Å; L106-F166 HydrophobicContact CG-CE2 4.46Å; L106-F166 WeakPolarHBondContact O-CZ 3.47Å; H108-F166 HydrophobicContact CB-CE1 4.07Å; H108-F166 HydrophobicContact CB-CE2 4.4Å; H108-F166 HydrophobicContact CB-CZ 3.58Å; L162-F166 WeakPolarHBondContact O-CD2 3.36Å; M163-F166 PolarHBondContact O-N 3.46Å; M163-F166 VanDerWaalsContact O-N 3.1Å; Q164-F166 PolarHBondContact O-N 3.36Å |
| 167 | S | 98.2 | Very high | 96.8 | Very high | 7 Ų | 7 | 43.8 Ų | 43.8 | 5% | 0.049 | 22% | 0.219 | C | C | . | . | trans | -122.5 | 143.8 | -176.1 | -177 | 0 | 0 | 0 | 0 | 111.7 | L39 M163 Q164 Y169 K170 | L39-S167 WeakPolarHBondContact CA-OG 3.49Å; L39-S167 WeakPolarHBondContact O-CB 3.33Å; L39-S167 PolarHBondContact O-OG 2.96Å; M163-S167 PolarHBondContact O-N 3.17Å; Q164-S167 PolarHBondContact O-N 3Å; S167-Y169 VanDerWaalsContact C-N 3.27Å; S167-Y169 WeakPolarHBondContact OG-CB 3.37Å; S167-Y169 PolarHBondContact OG-N 3.45Å; S167-K170 WeakPolarHBondContact O-CE 3.48Å; S167-K170 PolarHBondContact O-NZ 2.95Å | ||
| 168 | D | 97.7 | Very high | 97 | Very high | 164 Ų | 164 | 45.3 Ų | 45.3 | 88% | 0.877 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -78.5 | -12 | 168.8 | -66.4 | -36.7 | 0 | 0 | 0 | 112.8 | K170 | D168-K170 PolarHBondContact O-N 3.44Š|
| 169 | Y | 97.2 | Very high | 97.1 | Very high | 51 Ų | 51 | 45.4 Ų | 45.4 | 20% | 0.2 | 23% | 0.225 | C | C | . | . | trans | -77 | 106.1 | 177.8 | -174.8 | -85.6 | 0 | 0 | 0 | 110.3 | W38 L39 S167 E171 L173 | W38-Y169 HydrophobicContact CB-CD1 4.4Å; W38-Y169 HydrophobicContact CB-CD2 4.24Å; W38-Y169 HydrophobicContact CB-CE1 4.29Å; W38-Y169 HydrophobicContact CB-CE2 4.15Å; W38-Y169 HydrophobicContact CB-CG 4.37Å; W38-Y169 HydrophobicContact CG-CE2 4.41Å; L39-Y169 HydrophobicContact CD2-CD1 3.82Å; L39-Y169 HydrophobicContact CD2-CG 4.32Å; S167-Y169 VanDerWaalsContact C-N 3.27Å; S167-Y169 WeakPolarHBondContact OG-CB 3.37Å; S167-Y169 PolarHBondContact OG-N 3.45Å; Y169-E171 HydrophobicContact CD1-CB 4.28Å; Y169-E171 HydrophobicContact CE1-CB 3.52Å; Y169-E171 HydrophobicContact CE1-CG 4.17Å; Y169-E171 HydrophobicContact CE2-CB 4.39Å; Y169-E171 HydrophobicContact CE2-CG 4.15Å; Y169-E171 WeakPolarHBondContact OH-CB 3.29Å; Y169-L173 HydrophobicContact CD1-CD1 4.49Å; Y169-L173 HydrophobicContact CE1-CD1 4.25Å; Y169-L173 HydrophobicContact CE1-CD2 3.92Å; Y169-L173 HydrophobicContact CE1-CG 4.11Å | ||
| 170 | K | 93.8 | Very high | 97.1 | Very high | 146 Ų | 146 | 45.3 Ų | 45.3 | 64% | 0.635 | 22% | 0.224 | S | C | * | . | trans | -103.7 | 3.4 | -173.6 | -58.4 | -50.2 | -173.9 | -168.1 | 0 | 115.3 | Q164 S167 D168 | Q164-K170 PolarHBondContact O-NZ 3.12Å; S167-K170 WeakPolarHBondContact O-CE 3.48Å; S167-K170 PolarHBondContact O-NZ 2.95Å; D168-K170 PolarHBondContact O-N 3.44Å | ||
| 171 | E | 95.7 | Very high | 97 | Very high | 125 Ų | 125 | 45.3 Ų | 45.3 | 58% | 0.584 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -63.2 | 149.1 | 176.7 | -64 | -67.1 | 155.1 | 0 | 0 | 111.7 | Q164 Y169 L173 | Q164-E171 PolarHBondContact NE2-O 2.92Å; Y169-E171 HydrophobicContact CD1-CB 4.28Å; Y169-E171 HydrophobicContact CE1-CB 3.52Å; Y169-E171 HydrophobicContact CE1-CG 4.17Å; Y169-E171 HydrophobicContact CE2-CB 4.39Å; Y169-E171 HydrophobicContact CE2-CG 4.15Å; Y169-E171 WeakPolarHBondContact OH-CB 3.29Å; E171-L173 PolarHBondContact O-N 3.31Å |
| 172 | D | 96.1 | Very high | 97.1 | Very high | 95 Ų | 95 | 45.8 Ų | 45.8 | 51% | 0.508 | 23% | 0.225 | S | C | . | . | trans | -74.2 | 113.2 | -179.9 | -175 | 14.6 | 0 | 0 | 0 | 111.7 | K174 P175 R278 | D172-K174 WeakPolarHBondContact OD1-CB 3.38Å; D172-K174 PolarHBondContact OD1-N 3.43Å; D172-P175 WeakPolarHBondContact OD2-CD 3.4Å; D172-R278 PolarHBondContact O-NH2 3.38Å | ||
| 173 | L | 97.1 | Very high | 97 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -93.1 | -10.4 | 176.8 | -65.7 | 173.8 | 0 | 0 | 0 | 112.7 | F35 W38 L39 V160 Y169 E171 L176 L177 | F35-L173 HydrophobicContact CD1-CD1 3.95Å; F35-L173 HydrophobicContact CE1-CB 4.36Å; F35-L173 HydrophobicContact CE1-CD1 4.18Å; F35-L173 HydrophobicContact CE1-CD2 4.22Å; F35-L173 HydrophobicContact CE1-CG 4.49Å; W38-L173 HydrophobicContact CE3-CD2 4.08Å; W38-L173 HydrophobicContact CZ3-CD2 4.23Å; L39-L173 HydrophobicContact CD1-CD1 4.14Å; L39-L173 HydrophobicContact CD2-CD1 3.89Å; L39-L173 HydrophobicContact CG-CD1 4.26Å; V160-L173 HydrophobicContact CG1-CB 4.33Å; V160-L173 HydrophobicContact CG1-CD1 3.71Å; Y169-L173 HydrophobicContact CD1-CD1 4.49Å; Y169-L173 HydrophobicContact CE1-CD1 4.25Å; Y169-L173 HydrophobicContact CE1-CD2 3.92Å; Y169-L173 HydrophobicContact CE1-CG 4.11Å; E171-L173 PolarHBondContact O-N 3.31Å; L173-L176 PolarHBondContact O-N 2.89Å; L173-L176 VanDerWaalsContact O-N 3.12Å; L173-L177 HydrophobicContact CB-CD1 4.44Å; L173-L177 WeakPolarHBondContact O-CG 3.38Å; L173-L177 PolarHBondContact O-N 2.95Å | ||
| 174 | K | 95.2 | Very high | 96.9 | Very high | 110 Ų | 110 | 47.2 Ų | 47.2 | 48% | 0.478 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57 | -41.9 | -176.6 | -171.4 | 123.5 | -178.6 | -91.3 | 0 | 113.5 | D172 L176 L177 N178 | D172-K174 WeakPolarHBondContact OD1-CB 3.38Å; D172-K174 PolarHBondContact OD1-N 3.43Å; K174-L176 VanDerWaalsContact C-N 3.28Å; K174-L176 PolarHBondContact O-N 2.71Å; K174-L177 PolarHBondContact O-N 3.07Å; K174-N178 WeakPolarHBondContact O-CB 3.39Å; K174-N178 PolarHBondContact O-N 3.34Å; K174-N178 PolarHBondContact O-OD1 3.34Å |
| 175 | P | 97.3 | Very high | 96.8 | Very high | 50 Ų | 50 | 45.6 Ų | 45.6 | 33% | 0.325 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.7 | -33.5 | 178.3 | -25.1 | 35.7 | 0 | 0 | 0 | 113.9 | D172 T179 Q274 | D172-P175 WeakPolarHBondContact OD2-CD 3.4Å; P175-T179 PolarHBondContact O-N 3.34Å; P175-T179 PolarHBondContact O-OG1 3.39Å; P175-Q274 PolarHBondContact O-NE2 3.49Å; P175-Q274 PolarHBondContact O-OE1 3.19Å |
| 176 | L | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -74.8 | -45.4 | 175.6 | 177.4 | 59 | 0 | 0 | 0 | 110.6 | F35 W38 L173 K174 N178 T179 L180 A271 Q274 I275 L284 | F35-L176 HydrophobicContact CE1-CD2 4.26Å; F35-L176 HydrophobicContact CZ-CD2 4.12Å; F35-L176 HydrophobicContact CZ-CG 4.31Å; W38-L176 HydrophobicContact CH2-CD2 3.65Å; W38-L176 HydrophobicContact CZ3-CD2 3.74Å; L173-L176 PolarHBondContact O-N 2.89Å; L173-L176 VanDerWaalsContact O-N 3.12Å; K174-L176 VanDerWaalsContact C-N 3.28Å; K174-L176 PolarHBondContact O-N 2.71Å; L176-N178 VanDerWaalsContact C-N 3.27Å; L176-N178 PolarHBondContact O-N 3.25Å; L176-T179 PolarHBondContact O-N 2.97Å; L176-T179 VanDerWaalsContact O-N 3.11Å; L176-L180 HydrophobicContact CD1-CD1 4.36Å; L176-L180 HydrophobicContact CD1-CG 4.23Å; L176-L180 HydrophobicContact CG-CD1 4.22Å; L176-L180 HydrophobicContact CG-CG 4.5Å; L176-L180 WeakPolarHBondContact O-CG 3.35Å; L176-L180 PolarHBondContact O-N 2.95Å; L176-A271 HydrophobicContact CD1-CB 4.37Å; L176-Q274 HydrophobicContact CD1-CB 3.97Å; L176-I275 HydrophobicContact CD1-CG1 4.07Å; L176-I275 HydrophobicContact CD2-CG1 4Å; L176-L284 HydrophobicContact CD2-CD2 3.93Å |
| 177 | L | 96.4 | Very high | 96.6 | Very high | 10 Ų | 10 | 42.9 Ų | 42.9 | 5% | 0.052 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.4 | -40.3 | 174.8 | -67.7 | 171 | 0 | 0 | 0 | 112.3 | F35 F156 V160 L173 K174 L180 G181 | F35-L177 HydrophobicContact CE1-CD2 3.99Å; F35-L177 HydrophobicContact CE1-CG 4.43Å; F35-L177 HydrophobicContact CE2-CD2 4.02Å; F35-L177 HydrophobicContact CZ-CD2 3.52Å; F35-L177 HydrophobicContact CZ-CG 4.24Å; F156-L177 HydrophobicContact CB-CD2 4.2Å; V160-L177 HydrophobicContact CB-CD1 3.95Å; V160-L177 HydrophobicContact CB-CD2 4.17Å; V160-L177 HydrophobicContact CG1-CD1 3.91Å; V160-L177 HydrophobicContact CG1-CD2 4.49Å; V160-L177 HydrophobicContact CG2-CD1 4.5Å; V160-L177 HydrophobicContact CG2-CD2 3.81Å; L173-L177 HydrophobicContact CB-CD1 4.44Å; L173-L177 WeakPolarHBondContact O-CG 3.38Å; L173-L177 PolarHBondContact O-N 2.95Å; K174-L177 PolarHBondContact O-N 3.07Å; L177-L180 PolarHBondContact O-N 3.43Å; L177-G181 PolarHBondContact O-N 2.93Å |
| 178 | N | 96.9 | Very high | 96.4 | Very high | 44 Ų | 44 | 44.3 Ų | 44.3 | 24% | 0.235 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.3 | -44.8 | 175.6 | -74.6 | -0.3 | 0 | 0 | 0 | 111.7 | L149 K174 L176 G181 L182 | L149-N178 HydrophobicContact CD1-CB 4.49Å; L149-N178 VanDerWaalsContact CD2-CA 3.46Å; L149-N178 HydrophobicContact CD2-CB 3.48Å; L149-N178 VanDerWaalsContact CD2-CB 3.48Å; L149-N178 VanDerWaalsContact CD2-O 3.29Å; L149-N178 WeakPolarHBondContact CD2-O 3.34Å; K174-N178 WeakPolarHBondContact O-CB 3.39Å; K174-N178 PolarHBondContact O-N 3.34Å; K174-N178 PolarHBondContact O-OD1 3.34Å; L176-N178 VanDerWaalsContact C-N 3.27Å; L176-N178 PolarHBondContact O-N 3.25Å; N178-G181 PolarHBondContact O-N 2.84Å; N178-L182 WeakPolarHBondContact O-CG 3.41Å; N178-L182 PolarHBondContact O-N 3.33Å |
| 179 | T | 98.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.3 | -42.6 | 178.6 | -56.7 | 0 | 0 | 0 | 0 | 110.8 | P175 L176 F183 L267 K270 A271 Q274 | P175-T179 PolarHBondContact O-N 3.34Å; P175-T179 PolarHBondContact O-OG1 3.39Å; L176-T179 PolarHBondContact O-N 2.97Å; L176-T179 VanDerWaalsContact O-N 3.11Å; T179-F183 VanDerWaalsContact O-CB 3.3Å; T179-F183 WeakPolarHBondContact O-CB 3.49Å; T179-F183 PolarHBondContact O-N 3.29Å; T179-L267 HydrophobicContact CG2-CD2 4.06Å; T179-L267 WeakPolarHBondContact CG2-O 3.49Å; T179-K270 HydrophobicContact CG2-CB 4.1Å; T179-K270 HydrophobicContact CG2-CD 4.03Å; T179-K270 HydrophobicContact CG2-CG 4Å; T179-A271 HydrophobicContact CG2-CB 4.07Å; T179-Q274 PolarHBondContact OG1-NE2 3Å; T179-Q274 PolarHBondContact OG1-OE1 3.27Å |
| 180 | L | 96.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.5 | -45.8 | 174.5 | -65.3 | 176.4 | 0 | 0 | 0 | 111.5 | L31 F35 L176 L177 L182 F183 F184 A271 L284 I288 | L31-L180 HydrophobicContact CD1-CD1 4.28Å; F35-L180 HydrophobicContact CE2-CD1 3.81Å; F35-L180 HydrophobicContact CZ-CD1 3.88Å; L176-L180 HydrophobicContact CD1-CD1 4.36Å; L176-L180 HydrophobicContact CD1-CG 4.23Å; L176-L180 HydrophobicContact CG-CD1 4.22Å; L176-L180 HydrophobicContact CG-CG 4.5Å; L176-L180 WeakPolarHBondContact O-CG 3.35Å; L176-L180 PolarHBondContact O-N 2.95Å; L177-L180 PolarHBondContact O-N 3.43Å; L180-L182 VanDerWaalsContact C-N 3.34Å; L180-L182 PolarHBondContact O-N 2.94Å; L180-F183 WeakPolarHBondContact O-CB 3.47Å; L180-F183 PolarHBondContact O-N 3.34Å; L180-F183 VanDerWaalsContact O-N 3.13Å; L180-F184 HydrophobicContact CB-CD2 4.34Å; L180-F184 WeakPolarHBondContact O-CB 3.25Å; L180-F184 WeakPolarHBondContact O-CD2 3.18Å; L180-F184 PolarHBondContact O-N 3.1Å; L180-A271 HydrophobicContact CD2-CB 4.32Å; L180-L284 HydrophobicContact CD1-CD1 4.17Å; L180-L284 HydrophobicContact CD1-CD2 4.35Å; L180-I288 HydrophobicContact CD2-CD1 3.77Å; L180-I288 HydrophobicContact CD2-CG1 3.93Å |
| 181 | G | 95.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -55 | -47.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L177 N178 F184 Q185 | L177-G181 PolarHBondContact O-N 2.93Å; N178-G181 PolarHBondContact O-N 2.84Å; G181-F184 PolarHBondContact O-N 2.81Å; G181-Q185 PolarHBondContact O-N 2.86Å; G181-Q185 VanDerWaalsContact O-N 3.1Å |
| 182 | L | 97.9 | Very high | 95.9 | Very high | 19 Ų | 19 | 21.3 Ų | 21.3 | 10% | 0.099 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.9 | -47.9 | 173.8 | -70.3 | 174.4 | 0 | 0 | 0 | 112.2 | K145 V148 L149 N178 L180 F184 Q185 I186 L267 | K145-L182 HydrophobicContact CB-CD2 3.8Å; K145-L182 HydrophobicContact CG-CD2 3.86Å; V148-L182 HydrophobicContact CB-CD2 3.97Å; V148-L182 HydrophobicContact CG1-CD2 3.82Å; L149-L182 HydrophobicContact CD2-CD1 4.22Å; L149-L182 HydrophobicContact CD2-CD2 4.3Å; L149-L182 HydrophobicContact CD2-CG 3.83Å; L149-L182 HydrophobicContact CG-CD2 4.42Å; L149-L182 HydrophobicContact CG-CG 4.42Å; N178-L182 WeakPolarHBondContact O-CG 3.41Å; N178-L182 PolarHBondContact O-N 3.33Å; L180-L182 VanDerWaalsContact C-N 3.34Å; L180-L182 PolarHBondContact O-N 2.94Å; L182-F184 VanDerWaalsContact C-N 3.31Å; L182-F184 PolarHBondContact O-N 2.9Å; L182-Q185 PolarHBondContact O-N 3.23Å; L182-I186 WeakPolarHBondContact O-CB 3.34Å; L182-I186 WeakPolarHBondContact O-CG1 3.39Å; L182-I186 PolarHBondContact O-N 3.41Å; L182-L267 HydrophobicContact CB-CD1 4.03Å; L182-L267 HydrophobicContact CB-CD2 4.14Å; L182-L267 HydrophobicContact CD1-CD2 4.36Å |
| 183 | F | 97.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 17 Ų | 17 | 0% | 0.004 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -56.9 | -45 | 178.6 | 173.4 | -96.7 | 0 | 0 | 0 | 112 | T179 L180 R187 L264 L267 E268 I288 L291 S292 F295 | T179-F183 VanDerWaalsContact O-CB 3.3Å; T179-F183 WeakPolarHBondContact O-CB 3.49Å; T179-F183 PolarHBondContact O-N 3.29Å; L180-F183 WeakPolarHBondContact O-CB 3.47Å; L180-F183 PolarHBondContact O-N 3.34Å; L180-F183 VanDerWaalsContact O-N 3.13Å; F183-R187 WeakPolarHBondContact O-CB 3.38Å; F183-R187 PolarHBondContact O-N 2.92Å; F183-R187 VanDerWaalsContact O-N 3.08Å; F183-L264 HydrophobicContact CD2-CD2 3.93Å; F183-L264 HydrophobicContact CE2-CD2 4.22Å; F183-L267 HydrophobicContact CB-CB 4.24Å; F183-L267 HydrophobicContact CD2-CB 4.23Å; F183-E268 HydrophobicContact CE2-CB 4.24Å; F183-I288 HydrophobicContact CZ-CG2 4.41Å; F183-L291 HydrophobicContact CE1-CB 3.94Å; F183-L291 HydrophobicContact CE1-CD1 4.33Å; F183-L291 HydrophobicContact CZ-CB 4.23Å; F183-S292 WeakPolarHBondContact CZ-OG 3.39Å; F183-F295 AromaticContact CE2-CE1 3.56Å; F183-F295 HydrophobicContact CE2-CE1 3.56Å; F183-F295 AromaticContact CE2-CZ 3.7Å; F183-F295 HydrophobicContact CE2-CZ 3.7Å; F183-F295 AromaticContact CZ-CE1 3.81Å; F183-F295 HydrophobicContact CZ-CE1 3.81Å; F183-F295 HydrophobicContact CZ-CZ 4.21Å |
| 184 | F | 94.8 | Very high | 95.2 | Very high | 28 Ų | 28 | 20.2 Ų | 20.2 | 12% | 0.123 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.4 | -44.9 | -179.8 | -91 | -80.2 | 0 | 0 | 0 | 112.4 | V27 L31 T152 F156 L180 G181 L182 D188 L291 | V27-F184 HydrophobicContact CB-CE1 4.33Å; V27-F184 HydrophobicContact CG1-CE1 3.35Å; V27-F184 HydrophobicContact CG1-CZ 3.35Å; L31-F184 HydrophobicContact CD1-CE2 4.14Å; T152-F184 HydrophobicContact CG2-CB 4.31Å; F156-F184 HydrophobicContact CE2-CB 4.26Å; F156-F184 AromaticContact CE2-CD2 3.54Å; F156-F184 HydrophobicContact CE2-CD2 3.54Å; F156-F184 HydrophobicContact CE2-CE2 4.11Å; F156-F184 HydrophobicContact CE2-CG 4.01Å; F156-F184 HydrophobicContact CZ-CB 4.36Å; F156-F184 HydrophobicContact CZ-CD1 4.38Å; F156-F184 AromaticContact CZ-CD2 3.66Å; F156-F184 HydrophobicContact CZ-CD2 3.66Å; F156-F184 AromaticContact CZ-CE2 4Å; F156-F184 HydrophobicContact CZ-CE2 4Å; F156-F184 AromaticContact CZ-CG 3.87Å; F156-F184 HydrophobicContact CZ-CG 3.87Å; F156-F184 HydrophobicContact CZ-CZ 4.47Å; L180-F184 HydrophobicContact CB-CD2 4.34Å; L180-F184 WeakPolarHBondContact O-CB 3.25Å; L180-F184 WeakPolarHBondContact O-CD2 3.18Å; L180-F184 PolarHBondContact O-N 3.1Å; G181-F184 PolarHBondContact O-N 2.81Å; L182-F184 VanDerWaalsContact C-N 3.31Å; L182-F184 PolarHBondContact O-N 2.9Å; F184-D188 PolarHBondContact O-N 3.42Å; F184-D188 VanDerWaalsContact O-N 3.09Å; F184-L291 HydrophobicContact CD1-CD1 4.47Å; F184-L291 HydrophobicContact CE1-CD1 3.42Å; F184-L291 VanDerWaalsContact CE1-CD1 3.42Å; F184-L291 HydrophobicContact CE1-CD2 4.41Å; F184-L291 HydrophobicContact CE2-CD1 4.13Å; F184-L291 HydrophobicContact CZ-CD1 3.2Å |
| 185 | Q | 96.2 | Very high | 94.4 | Very high | 18 Ų | 18 | 16 Ų | 16 | 8% | 0.084 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -71.4 | -48.1 | -178.8 | -171.7 | 62.5 | 52.3 | 0 | 0 | 112.1 | Y144 V148 T152 G181 L182 R187 D188 D189 | Y144-Q185 WeakPolarHBondContact OH-CG 3.26Å; V148-Q185 HydrophobicContact CB-CB 4.45Å; V148-Q185 HydrophobicContact CB-CG 4.42Å; V148-Q185 HydrophobicContact CG1-CB 3.38Å; V148-Q185 HydrophobicContact CG1-CG 3.83Å; V148-Q185 HydrophobicContact CG2-CB 4.19Å; V148-Q185 HydrophobicContact CG2-CG 3.69Å; T152-Q185 PolarHBondContact OG1-OE1 3.47Å; G181-Q185 PolarHBondContact O-N 2.86Å; G181-Q185 VanDerWaalsContact O-N 3.1Å; L182-Q185 PolarHBondContact O-N 3.23Å; Q185-R187 PolarHBondContact O-N 3.47Å; Q185-D188 WeakPolarHBondContact O-CA 3.45Å; Q185-D188 WeakPolarHBondContact O-CB 3.41Å; Q185-D188 PolarHBondContact O-N 2.71Å; Q185-D189 PolarHBondContact NE2-OD1 2.74Å; Q185-D189 PolarHBondContact O-N 3.33Å |
| 186 | I | 97.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.8 | -33.8 | -179.6 | -65.7 | 171.8 | 0 | 0 | 0 | 110.4 | Y144 L182 Y190 F215 T260 T263 L264 L267 | Y144-I186 HydrophobicContact CE1-CG1 4.03Å; L182-I186 WeakPolarHBondContact O-CB 3.34Å; L182-I186 WeakPolarHBondContact O-CG1 3.39Å; L182-I186 PolarHBondContact O-N 3.41Å; I186-Y190 WeakPolarHBondContact O-CB 3.47Å; I186-Y190 PolarHBondContact O-N 3.4Å; I186-F215 HydrophobicContact CD1-CD2 3.81Å; I186-F215 HydrophobicContact CD1-CE2 3.76Å; I186-F215 HydrophobicContact CD1-CG 4.26Å; I186-F215 HydrophobicContact CD1-CZ 4.21Å; I186-F215 HydrophobicContact CG1-CB 4.23Å; I186-F215 HydrophobicContact CG1-CD2 3.86Å; I186-F215 HydrophobicContact CG1-CE2 4.34Å; I186-F215 HydrophobicContact CG1-CG 3.98Å; I186-F215 HydrophobicContact CG2-CB 4.25Å; I186-F215 HydrophobicContact CG2-CD1 3.79Å; I186-F215 HydrophobicContact CG2-CE1 4.26Å; I186-F215 HydrophobicContact CG2-CG 3.95Å; I186-T260 HydrophobicContact CG2-CG2 3.68Å; I186-T263 HydrophobicContact CD1-CG2 4.08Å; I186-L264 HydrophobicContact CB-CD2 4.03Å; I186-L264 HydrophobicContact CG2-CD1 4.36Å; I186-L264 HydrophobicContact CG2-CD2 3.85Å; I186-L264 HydrophobicContact CG2-CG 3.88Å; I186-L267 HydrophobicContact CD1-CD1 3.84Å |
| 187 | R | 95.3 | Very high | 91.7 | Very high | 28 Ų | 28 | 25.9 Ų | 25.9 | 11% | 0.106 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.5 | -38.8 | 172.9 | -178.4 | -172.3 | 164.2 | -71.5 | -4.3 | 112 | F183 Q185 A191 L264 L291 M294 | F183-R187 WeakPolarHBondContact O-CB 3.38Å; F183-R187 PolarHBondContact O-N 2.92Å; F183-R187 VanDerWaalsContact O-N 3.08Å; Q185-R187 PolarHBondContact O-N 3.47Å; R187-A191 VanDerWaalsContact O-CB 3.32Å; R187-A191 WeakPolarHBondContact O-CB 3.44Å; R187-A191 PolarHBondContact O-N 3.26Å; R187-L264 HydrophobicContact CB-CD1 4.49Å; R187-L264 HydrophobicContact CB-CD2 3.95Å; R187-L291 PolarHBondContact NE-O 2.94Å; R187-M294 HydrophobicContact CG-SD 4.03Å; R187-M294 VanDerWaalsContact CZ-SD 3.54Å; R187-M294 PolarHBondContact NH2-SD 2.87Å; R187-M294 VanDerWaalsContact NH2-SD 3.45Å |
| 188 | D | 92.8 | Very high | 90.4 | Very high | 37 Ų | 37 | 26.9 Ų | 26.9 | 20% | 0.198 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.2 | -47.4 | 175.4 | -164.2 | 68.5 | 0 | 0 | 0 | 111.3 | F184 Q185 Y190 A191 N192 Y198 K202 | F184-D188 PolarHBondContact O-N 3.42Å; F184-D188 VanDerWaalsContact O-N 3.09Å; Q185-D188 WeakPolarHBondContact O-CA 3.45Å; Q185-D188 WeakPolarHBondContact O-CB 3.41Å; Q185-D188 PolarHBondContact O-N 2.71Å; D188-Y190 VanDerWaalsContact C-N 3.34Å; D188-Y190 PolarHBondContact O-N 3.34Å; D188-A191 PolarHBondContact O-N 3.09Å; D188-A191 VanDerWaalsContact O-N 3.16Å; D188-N192 PolarHBondContact O-N 2.98Å; D188-Y198 VanDerWaalsContact OD1-CZ 3.29Å; D188-Y198 PolarHBondContact OD1-OH 2.95Å; D188-K202 IonicContact OD2-NZ 3.93Å |
| 189 | D | 96.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.3 | -43.2 | 176.7 | -71.3 | 18.5 | 0 | 0 | 0 | 111.5 | Y144 Q185 S214 F215 | Y144-D189 PolarHBondContact OH-OD2 3.05Å; Q185-D189 PolarHBondContact NE2-OD1 2.74Å; Q185-D189 PolarHBondContact O-N 3.33Å; D189-S214 WeakPolarHBondContact OD2-CA 3.27Å; D189-S214 WeakPolarHBondContact OD2-CB 3.45Å; D189-F215 HydrophobicContact CB-CB 4.38Å; D189-F215 PolarHBondContact OD2-N 3.44Å |
| 190 | Y | 95.6 | Very high | 87.6 | Confident | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.008 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.7 | -48.6 | 173.4 | -178.2 | -98.8 | 0 | 0 | 0 | 111.6 | I186 D188 N192 L193 H194 F257 T260 R261 F295 E298 | I186-Y190 WeakPolarHBondContact O-CB 3.47Å; I186-Y190 PolarHBondContact O-N 3.4Å; D188-Y190 VanDerWaalsContact C-N 3.34Å; D188-Y190 PolarHBondContact O-N 3.34Å; Y190-N192 VanDerWaalsContact C-N 3.31Å; Y190-N192 PolarHBondContact O-N 3.09Å; Y190-L193 PolarHBondContact O-N 3.17Å; Y190-H194 HydrophobicContact CD1-CB 4.31Å; Y190-H194 HydrophobicContact CD2-CB 4.47Å; Y190-H194 HydrophobicContact CE1-CB 3.98Å; Y190-H194 AromaticContact CE1-ND1 4Å; Y190-H194 HydrophobicContact CE2-CB 4.16Å; Y190-H194 AromaticContact CZ-CG 3.65Å; Y190-H194 AromaticContact CZ-ND1 3.74Å; Y190-H194 VanDerWaalsContact O-CB 3.26Å; Y190-H194 WeakPolarHBondContact O-CB 3.18Å; Y190-H194 PolarHBondContact O-N 2.77Å; Y190-H194 PolarHBondContact OH-ND1 2.67Å; Y190-F257 AromaticContact CD2-CD1 3.96Å; Y190-F257 HydrophobicContact CD2-CD1 3.96Å; Y190-F257 HydrophobicContact CE2-CB 4.08Å; Y190-F257 AromaticContact CE2-CD1 3.79Å; Y190-F257 HydrophobicContact CE2-CD1 3.79Å; Y190-F257 HydrophobicContact CE2-CG 4.36Å; Y190-T260 HydrophobicContact CD2-CG2 3.8Å; Y190-T260 HydrophobicContact CG-CG2 4.26Å; Y190-R261 HydrophobicContact CE2-CG 3.76Å; Y190-R261 WeakPolarHBondContact OH-CD 3.34Å; Y190-R261 PolarHBondContact OH-NH1 3.11Å; Y190-F295 HydrophobicContact CD1-CB 4.45Å; Y190-F295 HydrophobicContact CE1-CB 4.2Å; Y190-E298 PolarHBondContact OH-OE1 3.13Å |
| 191 | A | 91.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.1 | -39.1 | -178 | 0 | 0 | 0 | 0 | 0 | 112.1 | R187 D188 L193 S195 Y198 M294 | R187-A191 VanDerWaalsContact O-CB 3.32Å; R187-A191 WeakPolarHBondContact O-CB 3.44Å; R187-A191 PolarHBondContact O-N 3.26Å; D188-A191 PolarHBondContact O-N 3.09Å; D188-A191 VanDerWaalsContact O-N 3.16Å; A191-L193 PolarHBondContact O-N 3.16Å; A191-S195 VanDerWaalsContact O-CB 3.3Å; A191-S195 WeakPolarHBondContact O-CB 3.42Å; A191-S195 PolarHBondContact O-N 2.94Å; A191-Y198 HydrophobicContact CB-CD1 4.08Å; A191-Y198 HydrophobicContact CB-CD2 3.75Å; A191-Y198 HydrophobicContact CB-CE1 4.34Å; A191-Y198 HydrophobicContact CB-CE2 4.11Å; A191-Y198 HydrophobicContact CB-CG 3.76Å; A191-Y198 WeakPolarHBondContact O-CB 3.35Å; A191-M294 HydrophobicContact CB-CE 4.09Å; A191-M294 HydrophobicContact CB-SD 3.58Å; A191-M294 VanDerWaalsContact CB-SD 3.58Å |
| 192 | N | 91.9 | Very high | 85 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.011 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.6 | -38.4 | 179.7 | -165.5 | -60.4 | 0 | 0 | 0 | 112.5 | D188 Y190 Y198 K202 E206 D207 | D188-N192 PolarHBondContact O-N 2.98Å; Y190-N192 VanDerWaalsContact C-N 3.31Å; Y190-N192 PolarHBondContact O-N 3.09Å; N192-Y198 HydrophobicContact CB-CD1 4.45Å; N192-K202 PolarHBondContact ND2-NZ 3.44Å; N192-K202 VanDerWaalsContact ND2-NZ 3.16Å; N192-E206 PolarHBondContact OD1-N 3.41Å; N192-E206 VanDerWaalsContact OD1-N 3.09Å; N192-D207 VanDerWaalsContact ND2-CG 3.33Å; N192-D207 PolarHBondContact ND2-OD1 3.4Å; N192-D207 PolarHBondContact OD1-N 3.47Å; N192-D207 VanDerWaalsContact OD1-N 3.09Å |
| 193 | L | 91.8 | Very high | 84 | Confident | 5 Ų | 5 | 35.8 Ų | 35.8 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -98.4 | -22.4 | -174.4 | -61.5 | -180 | 0 | 0 | 0 | 114.2 | Y190 A191 C205 D207 L208 P216 T217 L251 F257 | Y190-L193 PolarHBondContact O-N 3.17Å; A191-L193 PolarHBondContact O-N 3.16Å; L193-C205 HydrophobicContact CD2-CB 3.98Å; L193-D207 HydrophobicContact CD2-CB 4.3Å; L193-L208 HydrophobicContact CD2-CD1 4.31Å; L193-L208 HydrophobicContact CD2-CD2 4.1Å; L193-L208 HydrophobicContact CD2-CG 3.78Å; L193-P216 HydrophobicContact CD1-CB 4.16Å; L193-P216 HydrophobicContact CD1-CG 4.14Å; L193-T217 HydrophobicContact CD1-CG2 4.03Å; L193-L251 HydrophobicContact CD1-CD1 3.86Å; L193-F257 HydrophobicContact CB-CE1 3.79Å; L193-F257 HydrophobicContact CB-CZ 3.97Å |
| 194 | H | 86.4 | Confident | 83.4 | Confident | 66 Ų | 66 | 39.1 Ų | 39.1 | 31% | 0.306 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -113.8 | -26.2 | -171.6 | -161.8 | -87.8 | 0 | 0 | 0 | 114.4 | Y190 F257 E298 | Y190-H194 HydrophobicContact CD1-CB 4.31Å; Y190-H194 HydrophobicContact CD2-CB 4.47Å; Y190-H194 HydrophobicContact CE1-CB 3.98Å; Y190-H194 AromaticContact CE1-ND1 4Å; Y190-H194 HydrophobicContact CE2-CB 4.16Å; Y190-H194 AromaticContact CZ-CG 3.65Å; Y190-H194 AromaticContact CZ-ND1 3.74Å; Y190-H194 VanDerWaalsContact O-CB 3.26Å; Y190-H194 WeakPolarHBondContact O-CB 3.18Å; Y190-H194 PolarHBondContact O-N 2.77Å; Y190-H194 PolarHBondContact OH-ND1 2.67Å; H194-F257 HydrophobicContact CB-CD1 4.2Å; H194-F257 HydrophobicContact CB-CE1 3.97Å; H194-F257 AromaticContact CD2-CD1 3.91Å; H194-F257 AromaticContact CD2-CG 3.89Å; H194-E298 IonicContact CE1-OE1 2.81Å; H194-E298 PolarHBondContact CE1-OE1 3.42Å; H194-E298 IonicContact CE1-OE2 2.65Å; H194-E298 IonicContact ND1-OE1 2.77Å; H194-E298 PolarHBondContact ND1-OE1 2.67Å; H194-E298 IonicContact NE2-OE1 3.83Å |
| 195 | S | 78.4 | Confident | 83.1 | Confident | 21 Ų | 21 | 37.8 Ų | 37.8 | 15% | 0.147 | 18% | 0.182 | C | C | . | . | trans | -94.2 | 128.6 | -168.5 | 173.3 | 0 | 0 | 0 | 0 | 113.5 | A191 E197 Y198 S199 | A191-S195 VanDerWaalsContact O-CB 3.3Å; A191-S195 WeakPolarHBondContact O-CB 3.42Å; A191-S195 PolarHBondContact O-N 2.94Å; S195-E197 PolarHBondContact OG-N 3.3Å; S195-Y198 PolarHBondContact O-N 3.27Å; S195-Y198 PolarHBondContact OG-N 3.39Å; S195-S199 PolarHBondContact O-N 3.48Å; S195-S199 PolarHBondContact O-OG 2.97Å | ||
| 196 | K | 72 | Confident | 82.8 | Confident | 165 Ų | 165 | 37.1 Ų | 37.1 | 72% | 0.717 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -65.7 | -45.3 | 172.7 | -168.8 | 179.3 | 178.4 | -175.3 | 0 | 112.4 | Y198 S199 E200 | K196-Y198 PolarHBondContact O-N 3.22Å; K196-S199 WeakPolarHBondContact O-CB 3.22Å; K196-S199 PolarHBondContact O-N 3.49Å; K196-S199 VanDerWaalsContact O-N 3.12Å; K196-E200 PolarHBondContact O-N 2.84Å; K196-E200 VanDerWaalsContact O-N 3.14Å |
| 197 | E | 66.3 | Low | 82.6 | Confident | 93 Ų | 93 | 37.2 Ų | 37.2 | 44% | 0.435 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59.1 | -37.7 | 173.9 | -175.1 | -159.7 | 144.2 | 0 | 0 | 110.8 | K25 S195 E200 N201 | K25-E197 IonicContact NZ-OE1 2.95Å; K25-E197 PolarHBondContact NZ-OE1 3.03Å; K25-E197 VanDerWaalsContact NZ-OE1 3.13Å; S195-E197 PolarHBondContact OG-N 3.3Å; E197-E200 WeakPolarHBondContact O-CB 3.35Å; E197-E200 PolarHBondContact O-N 2.85Å; E197-N201 PolarHBondContact O-N 3.46Å; E197-N201 VanDerWaalsContact O-N 3.09Å; E197-N201 PolarHBondContact O-ND2 2.89Å |
| 198 | Y | 69.5 | Low | 82.6 | Confident | 32 Ų | 32 | 35.9 Ų | 35.9 | 13% | 0.125 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -71.4 | -34.1 | 177.9 | -136.7 | -102.9 | 0 | 0 | 0 | 112 | D188 A191 N192 S195 K196 E200 N201 K202 | D188-Y198 VanDerWaalsContact OD1-CZ 3.29Å; D188-Y198 PolarHBondContact OD1-OH 2.95Å; A191-Y198 HydrophobicContact CB-CD1 4.08Å; A191-Y198 HydrophobicContact CB-CD2 3.75Å; A191-Y198 HydrophobicContact CB-CE1 4.34Å; A191-Y198 HydrophobicContact CB-CE2 4.11Å; A191-Y198 HydrophobicContact CB-CG 3.76Å; A191-Y198 WeakPolarHBondContact O-CB 3.35Å; N192-Y198 HydrophobicContact CB-CD1 4.45Å; S195-Y198 PolarHBondContact O-N 3.27Å; S195-Y198 PolarHBondContact OG-N 3.39Å; K196-Y198 PolarHBondContact O-N 3.22Å; Y198-E200 PolarHBondContact O-N 3.43Å; Y198-N201 CarbonylContact O-C 3.53Å; Y198-N201 PolarHBondContact O-N 2.95Å; Y198-N201 VanDerWaalsContact O-N 3.16Å; Y198-K202 HydrophobicContact CD1-CD 3.97Å; Y198-K202 HydrophobicContact CD1-CG 4.25Å; Y198-K202 HydrophobicContact CE1-CD 3.59Å; Y198-K202 HydrophobicContact CE1-CG 4.1Å; Y198-K202 WeakPolarHBondContact O-CB 3.22Å; Y198-K202 PolarHBondContact O-N 3.41Å |
| 199 | S | 69.6 | Low | 82.7 | Confident | 31 Ų | 31 | 34.7 Ų | 34.7 | 22% | 0.217 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.6 | -14.6 | 170.8 | -56.9 | 0 | 0 | 0 | 0 | 113.9 | S195 K196 K202 | S195-S199 PolarHBondContact O-N 3.48Å; S195-S199 PolarHBondContact O-OG 2.97Å; K196-S199 WeakPolarHBondContact O-CB 3.22Å; K196-S199 PolarHBondContact O-N 3.49Å; K196-S199 VanDerWaalsContact O-N 3.12Å; S199-K202 CarbonylContact C-O 3.54Å |
| 200 | E | 65.6 | Low | 82.6 | Confident | 131 Ų | 131 | 35 Ų | 35 | 61% | 0.612 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -90.1 | -31.3 | 170.8 | -68.3 | 170.9 | -177 | 0 | 0 | 111.3 | K196 E197 Y198 | K196-E200 PolarHBondContact O-N 2.84Å; K196-E200 VanDerWaalsContact O-N 3.14Å; E197-E200 WeakPolarHBondContact O-CB 3.35Å; E197-E200 PolarHBondContact O-N 2.85Å; Y198-E200 PolarHBondContact O-N 3.43Å |
| 201 | N | 67.5 | Low | 82.7 | Confident | 51 Ų | 51 | 35.1 Ų | 35.1 | 27% | 0.273 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -86.5 | -24 | 178 | -74.2 | -61.7 | 0 | 0 | 0 | 114.2 | R74 G75 E197 Y198 | R74-N201 CarbonylContact C-O 3.5Å; R74-N201 PolarHBondContact N-O 3.42Å; G75-N201 PolarHBondContact N-O 3.34Å; E197-N201 PolarHBondContact O-N 3.46Å; E197-N201 VanDerWaalsContact O-N 3.09Å; E197-N201 PolarHBondContact O-ND2 2.89Å; Y198-N201 CarbonylContact O-C 3.53Å; Y198-N201 PolarHBondContact O-N 2.95Å; Y198-N201 VanDerWaalsContact O-N 3.16Å |
| 202 | K | 69.3 | Low | 82.9 | Confident | 16 Ų | 16 | 35.6 Ų | 35.6 | 7% | 0.07 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -123.9 | 176.7 | 171.5 | -73.4 | -166.4 | 178.1 | -174.7 | 0 | 108.5 | R73 D188 N192 Y198 S199 | R73-K202 VanDerWaalsContact NH2-CE 3.25Å; D188-K202 IonicContact OD2-NZ 3.93Å; N192-K202 PolarHBondContact ND2-NZ 3.44Å; N192-K202 VanDerWaalsContact ND2-NZ 3.16Å; Y198-K202 HydrophobicContact CD1-CD 3.97Å; Y198-K202 HydrophobicContact CD1-CG 4.25Å; Y198-K202 HydrophobicContact CE1-CD 3.59Å; Y198-K202 HydrophobicContact CE1-CG 4.1Å; Y198-K202 WeakPolarHBondContact O-CB 3.22Å; Y198-K202 PolarHBondContact O-N 3.41Å; S199-K202 CarbonylContact C-O 3.54Å |
| 203 | S | 77.4 | Confident | 83.2 | Confident | 24 Ų | 24 | 35.8 Ų | 35.8 | 17% | 0.168 | 17% | 0.174 | C | C | . | . | trans | -71.8 | 151.8 | 165.8 | 68.2 | 0 | 0 | 0 | 0 | 111 | C205 E206 | S203-C205 PolarHBondContact O-N 3.47Å; S203-C205 VanDerWaalsContact O-N 3.17Å; S203-E206 PolarHBondContact O-N 2.79Å; S203-E206 WeakPolarHBondContact OG-CB 3.39Å; S203-E206 VanDerWaalsContact OG-CD 3.23Å; S203-E206 WeakPolarHBondContact OG-CG 3.33Å; S203-E206 PolarHBondContact OG-OE1 2.87Å | ||
| 204 | F | 85.2 | Confident | 83.4 | Confident | 71 Ų | 71 | 35.6 Ų | 35.6 | 31% | 0.311 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 119.7 | -179.4 | 175.4 | -107 | 0 | 0 | 0 | 111.3 | E206 I241 K244 K245 | F204-E206 PolarHBondContact O-N 2.89Å; F204-I241 HydrophobicContact CD1-CG2 4.26Å; F204-I241 HydrophobicContact CE1-CG2 4.26Å; F204-K244 HydrophobicContact CD1-CB 4.1Å; F204-K244 HydrophobicContact CD1-CD 4Å; F204-K244 HydrophobicContact CE1-CB 3.7Å; F204-K244 HydrophobicContact CE1-CD 4.45Å; F204-K244 WeakPolarHBondContact O-CD 3.35Å; F204-K244 PolarHBondContact O-NZ 2.81Å; F204-K245 HydrophobicContact CE1-CG 3.91Å; F204-K245 HydrophobicContact CZ-CG 3.87Å |
| 205 | C | 88.4 | Confident | 84 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.6 | 54.6 | -178.2 | -58 | 0 | 0 | 0 | 0 | 112.9 | L193 S203 D207 L208 K244 V248 | L193-C205 HydrophobicContact CD2-CB 3.98Å; S203-C205 PolarHBondContact O-N 3.47Å; S203-C205 VanDerWaalsContact O-N 3.17Å; C205-D207 VanDerWaalsContact C-N 3.25Å; C205-D207 PolarHBondContact O-N 3.4Å; C205-L208 HydrophobicContact CB-CB 4.44Å; C205-L208 HydrophobicContact CB-CD1 3.83Å; C205-L208 HydrophobicContact CB-CG 4.04Å; C205-L208 WeakPolarHBondContact O-CB 3.38Å; C205-L208 PolarHBondContact O-N 3.21Å; C205-L208 VanDerWaalsContact O-N 3.11Å; C205-K244 HydrophobicContact CB-CB 4.38Å; C205-K244 HydrophobicContact CB-CD 4.24Å; C205-K244 HydrophobicContact CB-CG 4.48Å; C205-V248 WeakPolarHBondContact SG-CG2 3.3Å |
| 206 | E | 89.8 | Confident | 85 | Confident | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.019 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.2 | -35.4 | -177.8 | -166.5 | 157.2 | -119.6 | 0 | 0 | 112.4 | K71 N192 S203 F204 L208 T209 E210 | K71-E206 PolarHBondContact N-OE1 3.47Å; N192-E206 PolarHBondContact OD1-N 3.41Å; N192-E206 VanDerWaalsContact OD1-N 3.09Å; S203-E206 PolarHBondContact O-N 2.79Å; S203-E206 WeakPolarHBondContact OG-CB 3.39Å; S203-E206 VanDerWaalsContact OG-CD 3.23Å; S203-E206 WeakPolarHBondContact OG-CG 3.33Å; S203-E206 PolarHBondContact OG-OE1 2.87Å; F204-E206 PolarHBondContact O-N 2.89Å; E206-L208 PolarHBondContact O-N 3.1Å; E206-L208 VanDerWaalsContact O-N 3.12Å; E206-T209 WeakPolarHBondContact O-CA 3.45Å; E206-T209 WeakPolarHBondContact O-CB 3.35Å; E206-T209 PolarHBondContact O-N 3.2Å; E206-E210 PolarHBondContact O-N 3.26Å |
| 207 | D | 93.4 | Very high | 86.2 | Confident | 3 Ų | 3 | 23.7 Ų | 23.7 | 2% | 0.016 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57.4 | -31.1 | 177.2 | -73.8 | 7.2 | 0 | 0 | 0 | 111.7 | N192 L193 C205 G211 K212 S214 | N192-D207 VanDerWaalsContact ND2-CG 3.33Å; N192-D207 PolarHBondContact ND2-OD1 3.4Å; N192-D207 PolarHBondContact OD1-N 3.47Å; N192-D207 VanDerWaalsContact OD1-N 3.09Å; L193-D207 HydrophobicContact CD2-CB 4.3Å; C205-D207 VanDerWaalsContact C-N 3.25Å; C205-D207 PolarHBondContact O-N 3.4Å; D207-G211 PolarHBondContact O-N 3.3Å; D207-K212 HydrophobicContact CB-CB 4.47Å; D207-K212 PolarHBondContact O-N 3.24Å; D207-S214 WeakPolarHBondContact OD2-CB 3.44Å |
| 208 | L | 96.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -74 | -33.3 | 175.8 | -59.1 | -176.5 | 0 | 0 | 0 | 112.8 | L193 C205 E206 G211 T217 L234 K244 C247 V248 | L193-L208 HydrophobicContact CD2-CD1 4.31Å; L193-L208 HydrophobicContact CD2-CD2 4.1Å; L193-L208 HydrophobicContact CD2-CG 3.78Å; C205-L208 HydrophobicContact CB-CB 4.44Å; C205-L208 HydrophobicContact CB-CD1 3.83Å; C205-L208 HydrophobicContact CB-CG 4.04Å; C205-L208 WeakPolarHBondContact O-CB 3.38Å; C205-L208 PolarHBondContact O-N 3.21Å; C205-L208 VanDerWaalsContact O-N 3.11Å; E206-L208 PolarHBondContact O-N 3.1Å; E206-L208 VanDerWaalsContact O-N 3.12Å; L208-G211 PolarHBondContact O-N 3.3Å; L208-T217 HydrophobicContact CD2-CG2 4.22Å; L208-L234 HydrophobicContact CD2-CD2 3.68Å; L208-K244 HydrophobicContact CB-CG 4.32Å; L208-K244 HydrophobicContact CD1-CB 4.13Å; L208-K244 HydrophobicContact CD1-CG 4.15Å; L208-C247 HydrophobicContact CD1-CB 3.75Å; L208-V248 HydrophobicContact CD1-CG2 4.45Å |
| 209 | T | 95.2 | Very high | 89.2 | Confident | 11 Ų | 11 | 19.3 Ų | 19.3 | 7% | 0.067 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -72.5 | -39.8 | 172.8 | -68.4 | 0 | 0 | 0 | 0 | 110.9 | E206 G211 R237 T238 E239 K244 | E206-T209 WeakPolarHBondContact O-CA 3.45Å; E206-T209 WeakPolarHBondContact O-CB 3.35Å; E206-T209 PolarHBondContact O-N 3.2Å; T209-G211 PolarHBondContact O-N 3.46Å; T209-R237 CarbonylContact O-C 3.58Å; T209-R237 WeakPolarHBondContact O-CA 3.33Å; T209-R237 WeakPolarHBondContact O-CB 3.47Å; T209-T238 PolarHBondContact OG1-O 3.35Å; T209-E239 HydrophobicContact CG2-CG 3.89Å; T209-K244 WeakPolarHBondContact OG1-CE 3.3Å; T209-K244 PolarHBondContact OG1-NZ 3.42Å |
| 210 | E | 94 | Very high | 90.6 | Very high | 8 Ų | 8 | 17.9 Ų | 17.9 | 4% | 0.037 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60 | -36.9 | 173.2 | -164.8 | -161.3 | 137.1 | 0 | 0 | 110.4 | D68 R133 E206 K212 R237 | D68-E210 HydrophobicContact CB-CG 3.74Å; D68-E210 VanDerWaalsContact CG-CD 3.44Å; R133-E210 WeakPolarHBondContact CD-OE1 3.13Å; R133-E210 IonicContact CZ-OE1 2.73Å; R133-E210 IonicContact NH1-OE1 3.58Å; R133-E210 PolarHBondContact NH1-OE1 3.03Å; E206-E210 PolarHBondContact O-N 3.26Å; E210-K212 HydrophobicContact CB-CB 4.34Å; E210-K212 HydrophobicContact CG-CB 4.35Å; E210-K212 WeakPolarHBondContact OE1-CB 3.45Å; E210-K212 WeakPolarHBondContact OE2-CD 3.38Å; E210-R237 PolarHBondContact O-NH1 2.55Å |
| 211 | G | 96.3 | Very high | 92.1 | Very high | 4 Ų | 4 | 12.2 Ų | 12.2 | 4% | 0.041 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | 18.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D207 L208 T209 L234 | D207-G211 PolarHBondContact O-N 3.3Å; L208-G211 PolarHBondContact O-N 3.3Å; T209-G211 PolarHBondContact O-N 3.46Å; G211-L234 VanDerWaalsContact CA-O 3.31Å; G211-L234 WeakPolarHBondContact CA-O 3.48Å |
| 212 | K | 95.9 | Very high | 93.6 | Very high | 9 Ų | 9 | 16.7 Ų | 16.7 | 4% | 0.039 | 8% | 0.075 | C | C | . | . | trans | -68.9 | 142.6 | -175.8 | -171.6 | 177 | 175.2 | -175.6 | 0 | 112.1 | D129 D207 E210 S214 | D129-K212 VanDerWaalsContact OD2-CE 3.3Å; D129-K212 WeakPolarHBondContact OD2-CE 3.28Å; D129-K212 IonicContact OD2-NZ 3.75Å; D207-K212 HydrophobicContact CB-CB 4.47Å; D207-K212 PolarHBondContact O-N 3.24Å; E210-K212 HydrophobicContact CB-CB 4.34Å; E210-K212 HydrophobicContact CG-CB 4.35Å; E210-K212 WeakPolarHBondContact OE1-CB 3.45Å; E210-K212 WeakPolarHBondContact OE2-CD 3.38Å; K212-S214 PolarHBondContact O-N 2.88Å | ||
| 213 | F | 98.3 | Very high | 95 | Very high | 7 Ų | 7 | 18 Ų | 18 | 3% | 0.031 | 9% | 0.087 | C | C | . | . | trans | -84.7 | 81 | 167.7 | -64.1 | -71 | 0 | 0 | 0 | 110.1 | W132 C138 P139 I218 I221 L234 | W132-F213 HydrophobicContact CB-CD2 4.15Å; W132-F213 VanDerWaalsContact O-CE2 3.29Å; W132-F213 WeakPolarHBondContact O-CE2 3.12Å; C138-F213 HydrophobicContact CB-CD1 3.8Å; C138-F213 HydrophobicContact CB-CE1 3.64Å; C138-F213 HydrophobicContact CB-CG 4.37Å; C138-F213 HydrophobicContact CB-CZ 4.1Å; P139-F213 HydrophobicContact CG-CB 4.35Å; F213-I218 HydrophobicContact CB-CD1 4.26Å; F213-I218 HydrophobicContact CB-CG1 3.95Å; F213-I218 VanDerWaalsContact O-CD1 3.28Å; F213-I218 WeakPolarHBondContact O-CD1 3.44Å; F213-I221 HydrophobicContact CD1-CD1 3.75Å; F213-I221 HydrophobicContact CE1-CD1 3.72Å; F213-L234 HydrophobicContact CD1-CD1 3.71Å; F213-L234 HydrophobicContact CE1-CD1 3.69Å | ||
| 214 | S | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | -82.6 | 160.6 | 174.3 | 66.9 | 0 | 0 | 0 | 0 | 112.1 | D189 D207 K212 T217 I218 | D189-S214 WeakPolarHBondContact OD2-CA 3.27Å; D189-S214 WeakPolarHBondContact OD2-CB 3.45Å; D207-S214 WeakPolarHBondContact OD2-CB 3.44Å; K212-S214 PolarHBondContact O-N 2.88Å; S214-T217 PolarHBondContact N-OG1 3.48Å; S214-T217 PolarHBondContact O-N 3Å; S214-T217 PolarHBondContact O-OG1 3.29Å; S214-I218 PolarHBondContact O-N 2.89Å | ||
| 215 | F | 98.7 | Very high | 96.4 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.009 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -49.4 | -46.9 | -171.7 | -166.3 | -95 | 0 | 0 | 0 | 114.8 | E141 Y144 I186 D189 T217 I218 H219 Y259 T260 T263 | E141-F215 HydrophobicContact CG-CE2 3.67Å; E141-F215 HydrophobicContact CG-CZ 4.24Å; Y144-F215 AromaticContact CD1-CD2 3.81Å; Y144-F215 HydrophobicContact CD1-CD2 3.81Å; Y144-F215 HydrophobicContact CD1-CE2 4.48Å; Y144-F215 HydrophobicContact CE1-CB 4.12Å; Y144-F215 AromaticContact CE1-CD2 3.53Å; Y144-F215 HydrophobicContact CE1-CD2 3.53Å; Y144-F215 HydrophobicContact CE1-CE2 4.44Å; Y144-F215 HydrophobicContact CE1-CG 4.3Å; I186-F215 HydrophobicContact CD1-CD2 3.81Å; I186-F215 HydrophobicContact CD1-CE2 3.76Å; I186-F215 HydrophobicContact CD1-CG 4.26Å; I186-F215 HydrophobicContact CD1-CZ 4.21Å; I186-F215 HydrophobicContact CG1-CB 4.23Å; I186-F215 HydrophobicContact CG1-CD2 3.86Å; I186-F215 HydrophobicContact CG1-CE2 4.34Å; I186-F215 HydrophobicContact CG1-CG 3.98Å; I186-F215 HydrophobicContact CG2-CB 4.25Å; I186-F215 HydrophobicContact CG2-CD1 3.79Å; I186-F215 HydrophobicContact CG2-CE1 4.26Å; I186-F215 HydrophobicContact CG2-CG 3.95Å; D189-F215 HydrophobicContact CB-CB 4.38Å; D189-F215 PolarHBondContact OD2-N 3.44Å; F215-T217 VanDerWaalsContact C-N 3.34Å; F215-T217 PolarHBondContact O-N 3Å; F215-I218 PolarHBondContact O-N 3.16Å; F215-H219 PolarHBondContact O-N 2.94Å; F215-H219 VanDerWaalsContact O-N 3.11Å; F215-Y259 AromaticContact CE1-CD1 3.79Å; F215-Y259 HydrophobicContact CE1-CD1 3.79Å; F215-Y259 AromaticContact CE1-CE1 3.68Å; F215-Y259 HydrophobicContact CE1-CE1 3.68Å; F215-Y259 HydrophobicContact CZ-CD1 4.3Å; F215-Y259 AromaticContact CZ-CE1 3.71Å; F215-Y259 HydrophobicContact CZ-CE1 3.71Å; F215-T260 HydrophobicContact CD1-CG2 3.9Å; F215-T260 HydrophobicContact CE1-CG2 4.48Å; F215-T263 HydrophobicContact CE1-CG2 4.14Å; F215-T263 HydrophobicContact CZ-CG2 3.73Å |
| 216 | P | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66 | -34.2 | 178.1 | -20 | 33.6 | 0 | 0 | 0 | 113.4 | L193 A220 L251 S256 F257 T260 | L193-P216 HydrophobicContact CD1-CB 4.16Å; L193-P216 HydrophobicContact CD1-CG 4.14Å; P216-A220 PolarHBondContact O-N 3.32Å; P216-A220 VanDerWaalsContact O-N 3.11Å; P216-L251 HydrophobicContact CB-CD1 4.49Å; P216-S256 VanDerWaalsContact O-CB 3.29Å; P216-S256 WeakPolarHBondContact O-CB 3.3Å; P216-S256 PolarHBondContact O-OG 3.37Å; P216-S256 VanDerWaalsContact O-OG 3.06Å; P216-F257 HydrophobicContact CB-CE1 4.43Å; P216-T260 HydrophobicContact CG-CG2 4.28Å |
| 217 | T | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -72.8 | -39.9 | 179 | 66.5 | 0 | 0 | 0 | 0 | 111.5 | L193 L208 S214 F215 H219 A220 I221 V230 L251 | L193-T217 HydrophobicContact CD1-CG2 4.03Å; L208-T217 HydrophobicContact CD2-CG2 4.22Å; S214-T217 PolarHBondContact N-OG1 3.48Å; S214-T217 PolarHBondContact O-N 3Å; S214-T217 PolarHBondContact O-OG1 3.29Å; F215-T217 VanDerWaalsContact C-N 3.34Å; F215-T217 PolarHBondContact O-N 3Å; T217-H219 PolarHBondContact O-N 3.29Å; T217-A220 PolarHBondContact O-N 2.91Å; T217-I221 WeakPolarHBondContact O-CB 3.46Å; T217-I221 WeakPolarHBondContact O-CD1 3.35Å; T217-I221 VanDerWaalsContact O-CG1 3.22Å; T217-I221 WeakPolarHBondContact O-CG1 3.47Å; T217-I221 PolarHBondContact O-N 3.09Å; T217-V230 HydrophobicContact CG2-CG1 4.26Å; T217-L251 HydrophobicContact CG2-CD1 4.24Å |
| 218 | I | 98.8 | Very high | 97.2 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.6 | -50.4 | 173.2 | -68.2 | 167.9 | 0 | 0 | 0 | 109.5 | P139 Y144 F213 S214 F215 A220 I221 W222 | P139-I218 HydrophobicContact CG-CD1 3.82Å; P139-I218 HydrophobicContact CG-CG1 4.33Å; Y144-I218 HydrophobicContact CD2-CD1 3.36Å; Y144-I218 HydrophobicContact CE2-CD1 4.14Å; Y144-I218 HydrophobicContact CG-CD1 3.59Å; F213-I218 HydrophobicContact CB-CD1 4.26Å; F213-I218 HydrophobicContact CB-CG1 3.95Å; F213-I218 VanDerWaalsContact O-CD1 3.28Å; F213-I218 WeakPolarHBondContact O-CD1 3.44Å; S214-I218 PolarHBondContact O-N 2.89Å; F215-I218 PolarHBondContact O-N 3.16Å; I218-A220 VanDerWaalsContact C-N 3.34Å; I218-A220 PolarHBondContact O-N 2.65Å; I218-I221 PolarHBondContact O-N 2.93Å; I218-W222 VanDerWaalsContact O-CD1 3.26Å; I218-W222 PolarHBondContact O-N 3.25Å |
| 219 | H | 98.8 | Very high | 97.2 | Very high | 31 Ų | 31 | 36.8 Ų | 36.8 | 14% | 0.144 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57 | -46.5 | 177.4 | 172.8 | -89.1 | 0 | 0 | 0 | 112 | F215 T217 I221 W222 S223 S256 Y259 | F215-H219 PolarHBondContact O-N 2.94Å; F215-H219 VanDerWaalsContact O-N 3.11Å; T217-H219 PolarHBondContact O-N 3.29Å; H219-I221 VanDerWaalsContact C-N 3.32Å; H219-I221 PolarHBondContact O-N 3.35Å; H219-W222 PolarHBondContact O-N 3.43Å; H219-S223 WeakPolarHBondContact O-CB 3.44Å; H219-S223 PolarHBondContact O-N 2.61Å; H219-S223 PolarHBondContact O-OG 2.93Å; H219-S256 WeakPolarHBondContact ND1-CA 3.28Å; H219-S256 PolarHBondContact ND1-OG 3.02Å; H219-Y259 HydrophobicContact CB-CD1 3.93Å; H219-Y259 HydrophobicContact CB-CE1 4.31Å; H219-Y259 AromaticContact CD2-CD1 3.3Å; H219-Y259 WeakPolarHBondContact CD2-CD1 3.3Å; H219-Y259 AromaticContact CD2-CD2 3.7Å; H219-Y259 AromaticContact CD2-CE1 3.64Å; H219-Y259 AromaticContact CD2-CG 3.31Å; H219-Y259 AromaticContact CG-CD1 3.65Å; H219-Y259 AromaticContact CG-CG 3.89Å; H219-Y259 AromaticContact NE2-CD2 3.73Å; H219-Y259 AromaticContact NE2-CG 3.58Å |
| 220 | A | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.4 | -40.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | P216 T217 I218 S223 R224 V230 L251 V254 S256 | P216-A220 PolarHBondContact O-N 3.32Å; P216-A220 VanDerWaalsContact O-N 3.11Å; T217-A220 PolarHBondContact O-N 2.91Å; I218-A220 VanDerWaalsContact C-N 3.34Å; I218-A220 PolarHBondContact O-N 2.65Å; A220-S223 PolarHBondContact O-OG 2.9Å; A220-R224 PolarHBondContact O-N 3.22Å; A220-V230 HydrophobicContact CB-CG2 4.09Å; A220-L251 HydrophobicContact CB-CD2 3.31Å; A220-V254 HydrophobicContact CB-CG2 3.94Å; A220-S256 WeakPolarHBondContact CA-OG 3.43Å; A220-S256 WeakPolarHBondContact CB-OG 3.33Å; A220-S256 PolarHBondContact N-OG 3.2Å |
| 221 | I | 98.6 | Very high | 97.5 | Very high | 13 Ų | 13 | 38.7 Ų | 38.7 | 7% | 0.067 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.2 | -46.1 | 179.5 | -71.4 | 164 | 0 | 0 | 0 | 111 | C138 F213 T217 I218 H219 V230 Q231 L234 | C138-I221 HydrophobicContact CB-CD1 4.27Å; C138-I221 HydrophobicContact CB-CG2 4.14Å; F213-I221 HydrophobicContact CD1-CD1 3.75Å; F213-I221 HydrophobicContact CE1-CD1 3.72Å; T217-I221 WeakPolarHBondContact O-CB 3.46Å; T217-I221 WeakPolarHBondContact O-CD1 3.35Å; T217-I221 VanDerWaalsContact O-CG1 3.22Å; T217-I221 WeakPolarHBondContact O-CG1 3.47Å; T217-I221 PolarHBondContact O-N 3.09Å; I218-I221 PolarHBondContact O-N 2.93Å; H219-I221 VanDerWaalsContact C-N 3.32Å; H219-I221 PolarHBondContact O-N 3.35Å; I221-V230 HydrophobicContact CD1-CB 4.42Å; I221-V230 HydrophobicContact CD1-CG1 4Å; I221-V230 HydrophobicContact CG1-CB 3.92Å; I221-V230 HydrophobicContact CG1-CG1 3.95Å; I221-Q231 HydrophobicContact CD1-CG 3.85Å; I221-Q231 HydrophobicContact CG1-CG 3.94Å; I221-Q231 HydrophobicContact CG2-CG 4.21Å; I221-L234 HydrophobicContact CD1-CD1 4.4Å |
| 222 | W | 98.5 | Very high | 97.6 | Very high | 144 Ų | 144 | 41.4 Ų | 41.4 | 55% | 0.545 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -81.2 | -29.9 | -176.1 | -75.6 | 100.8 | 0 | 0 | 0 | 114 | P139 T140 I218 H219 R224 | P139-W222 PolarHBondContact O-NE1 3.35Å; T140-W222 HydrophobicContact CG2-CH2 3.99Å; T140-W222 HydrophobicContact CG2-CZ2 3.7Å; I218-W222 VanDerWaalsContact O-CD1 3.26Å; I218-W222 PolarHBondContact O-N 3.25Å; H219-W222 PolarHBondContact O-N 3.43Å; W222-R224 VanDerWaalsContact C-N 3.34Å |
| 223 | S | 97.9 | Very high | 97.7 | Very high | 45 Ų | 45 | 41.5 Ų | 41.5 | 32% | 0.315 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -77.5 | -19.7 | 178.3 | 60.9 | 0 | 0 | 0 | 0 | 113.5 | H219 A220 | H219-S223 WeakPolarHBondContact O-CB 3.44Å; H219-S223 PolarHBondContact O-N 2.61Å; H219-S223 PolarHBondContact O-OG 2.93Å; A220-S223 PolarHBondContact O-OG 2.9Å |
| 224 | R | 97.3 | Very high | 97.7 | Very high | 107 Ų | 107 | 41.3 Ų | 41.3 | 40% | 0.404 | 21% | 0.207 | S | C | . | . | trans | -129.4 | 63.1 | -179.4 | -58.3 | -64.6 | 179.7 | 176.9 | 1.1 | 111.7 | A220 W222 E226 S227 V254 | A220-R224 PolarHBondContact O-N 3.22Å; W222-R224 VanDerWaalsContact C-N 3.34Å; R224-E226 WeakPolarHBondContact CA-OE2 3.35Å; R224-E226 WeakPolarHBondContact CD-OE1 3.35Å; R224-E226 IonicContact NH1-OE1 2.67Å; R224-E226 PolarHBondContact O-N 3.44Å; R224-E226 VanDerWaalsContact O-N 3.1Å; R224-S227 PolarHBondContact O-N 3.21Å; R224-V254 HydrophobicContact CG-CB 4.15Å; R224-V254 HydrophobicContact CG-CG1 3.86Å | ||
| 225 | P | 95.3 | Very high | 97.6 | Very high | 103 Ų | 103 | 48.2 Ų | 48.2 | 67% | 0.669 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -17.7 | -175.9 | 28.8 | -37 | 0 | 0 | 0 | 113.8 | S227 | P225-S227 PolarHBondContact O-N 3.04Š|
| 226 | E | 95.6 | Very high | 97.6 | Very high | 135 Ų | 135 | 53.6 Ų | 53.6 | 63% | 0.631 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -17.9 | 172.5 | 71.7 | -78.3 | -174.7 | 0 | 0 | 113.5 | R224 | R224-E226 WeakPolarHBondContact CA-OE2 3.35Å; R224-E226 WeakPolarHBondContact CD-OE1 3.35Å; R224-E226 IonicContact NH1-OE1 2.67Å; R224-E226 PolarHBondContact O-N 3.44Å; R224-E226 VanDerWaalsContact O-N 3.1Å |
| 227 | S | 96.4 | Very high | 97.4 | Very high | 25 Ų | 25 | 57.6 Ų | 57.6 | 18% | 0.175 | 27% | 0.274 | C | S | . | . | trans | -111.5 | 135.4 | -179.3 | -177.3 | 0 | 0 | 0 | 0 | 111.2 | R224 P225 Q229 Y250 | R224-S227 PolarHBondContact O-N 3.21Å; P225-S227 PolarHBondContact O-N 3.04Å; S227-Q229 WeakPolarHBondContact OG-CB 3.29Å; S227-Q229 PolarHBondContact OG-N 3.23Å; S227-Y250 VanDerWaalsContact CB-OH 3.27Å; S227-Y250 WeakPolarHBondContact CB-OH 3.46Å; S227-Y250 PolarHBondContact OG-OH 2.91Å | ||
| 228 | T | 96.6 | Very high | 97.3 | Very high | 82 Ų | 82 | 58.6 Ų | 58.6 | 50% | 0.503 | 28% | 0.28 | S | S | . | . | trans | -109.1 | 13.4 | 172.3 | 55.7 | 0 | 0 | 0 | 0 | 112.3 | V230 Q231 N232 | T228-V230 PolarHBondContact O-N 2.89Å; T228-Q231 PolarHBondContact O-N 3.08Å; T228-Q231 PolarHBondContact O-OE1 2.92Å; T228-N232 WeakPolarHBondContact O-CB 3.04Å; T228-N232 PolarHBondContact O-N 3.42Å; T228-N232 PolarHBondContact O-ND2 3.06Å; T228-N232 PolarHBondContact OG1-ND2 2.86Å; T228-N232 VanDerWaalsContact OG1-ND2 3.12Å | ||
| 229 | Q | 95.9 | Very high | 97.1 | Very high | 44 Ų | 44 | 64.2 Ų | 64.2 | 21% | 0.206 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62 | -46.8 | -169.3 | -173.7 | 178.3 | -51.5 | 0 | 0 | 112.3 | S227 N232 I233 Y246 | S227-Q229 WeakPolarHBondContact OG-CB 3.29Å; S227-Q229 PolarHBondContact OG-N 3.23Å; Q229-N232 PolarHBondContact O-N 3.13Å; Q229-I233 HydrophobicContact CG-CD1 4.21Å; Q229-I233 WeakPolarHBondContact O-CG1 3.49Å; Q229-I233 PolarHBondContact O-N 3.43Å; Q229-Y246 VanDerWaalsContact CD-CE1 3.43Å; Q229-Y246 HydrophobicContact CG-CE1 3.96Å; Q229-Y246 PolarHBondContact NE2-OH 2.96Å; Q229-Y246 VanDerWaalsContact NE2-OH 3.11Å; Q229-Y246 PolarHBondContact OE1-OH 2.88Å; Q229-Y246 VanDerWaalsContact OE1-OH 3.06Å |
| 230 | V | 97.9 | Very high | 96.9 | Very high | 2 Ų | 2 | 66.3 Ų | 66.3 | 1% | 0.012 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.1 | -48.3 | -179.8 | 179.6 | 0 | 0 | 0 | 0 | 110.2 | T217 A220 I221 T228 N232 I233 L234 Y250 L251 | T217-V230 HydrophobicContact CG2-CG1 4.26Å; A220-V230 HydrophobicContact CB-CG2 4.09Å; I221-V230 HydrophobicContact CD1-CB 4.42Å; I221-V230 HydrophobicContact CD1-CG1 4Å; I221-V230 HydrophobicContact CG1-CB 3.92Å; I221-V230 HydrophobicContact CG1-CG1 3.95Å; T228-V230 PolarHBondContact O-N 2.89Å; V230-N232 VanDerWaalsContact C-N 3.28Å; V230-N232 PolarHBondContact O-N 3.05Å; V230-I233 PolarHBondContact O-N 2.88Å; V230-I233 VanDerWaalsContact O-N 3.16Å; V230-L234 HydrophobicContact CG1-CD1 4.09Å; V230-L234 HydrophobicContact CG1-CG 4.34Å; V230-L234 WeakPolarHBondContact O-CG 3.4Å; V230-L234 PolarHBondContact O-N 3.4Å; V230-Y250 HydrophobicContact CG2-CD1 3.66Å; V230-Y250 HydrophobicContact CG2-CE1 3.68Å; V230-L251 HydrophobicContact CG2-CD2 4.21Å |
| 231 | Q | 98.1 | Very high | 96.7 | Very high | 57 Ų | 57 | 70.8 Ų | 70.8 | 27% | 0.266 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.2 | -41.9 | 178.1 | -57.7 | 94.7 | -47 | 0 | 0 | 111.7 | I221 T228 L234 R235 | I221-Q231 HydrophobicContact CD1-CG 3.85Å; I221-Q231 HydrophobicContact CG1-CG 3.94Å; I221-Q231 HydrophobicContact CG2-CG 4.21Å; T228-Q231 PolarHBondContact O-N 3.08Å; T228-Q231 PolarHBondContact O-OE1 2.92Å; Q231-L234 PolarHBondContact O-N 3.44Å; Q231-R235 WeakPolarHBondContact O-CB 3.35Å; Q231-R235 PolarHBondContact O-N 3.16Å |
| 232 | N | 97.8 | Very high | 96.5 | Very high | 61 Ų | 61 | 75.3 Ų | 75.3 | 33% | 0.326 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.2 | -39.2 | 178.8 | -78.2 | -47.7 | 0 | 0 | 0 | 112.3 | T228 Q229 V230 R235 Q236 | T228-N232 WeakPolarHBondContact O-CB 3.04Å; T228-N232 PolarHBondContact O-N 3.42Å; T228-N232 PolarHBondContact O-ND2 3.06Å; T228-N232 PolarHBondContact OG1-ND2 2.86Å; T228-N232 VanDerWaalsContact OG1-ND2 3.12Å; Q229-N232 PolarHBondContact O-N 3.13Å; V230-N232 VanDerWaalsContact C-N 3.28Å; V230-N232 PolarHBondContact O-N 3.05Å; N232-R235 PolarHBondContact O-N 2.96Å; N232-Q236 WeakPolarHBondContact O-CG 3.38Å; N232-Q236 PolarHBondContact O-N 2.72Å |
| 233 | I | 97.9 | Very high | 96.4 | Very high | 10 Ų | 10 | 70.8 Ų | 70.8 | 5% | 0.051 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66 | -47.3 | 175.8 | -68.8 | 171.3 | 0 | 0 | 0 | 110.6 | Q229 V230 R235 Q236 T238 I243 Y246 C247 | Q229-I233 HydrophobicContact CG-CD1 4.21Å; Q229-I233 WeakPolarHBondContact O-CG1 3.49Å; Q229-I233 PolarHBondContact O-N 3.43Å; V230-I233 PolarHBondContact O-N 2.88Å; V230-I233 VanDerWaalsContact O-N 3.16Å; I233-R235 VanDerWaalsContact C-N 3.27Å; I233-R235 PolarHBondContact O-N 3.41Å; I233-Q236 WeakPolarHBondContact O-CB 3.3Å; I233-Q236 PolarHBondContact O-N 2.94Å; I233-T238 HydrophobicContact CG2-CG2 4.49Å; I233-I243 HydrophobicContact CD1-CG2 4.17Å; I233-I243 HydrophobicContact CG1-CG2 3.97Å; I233-I243 HydrophobicContact CG2-CG2 3.86Å; I233-Y246 HydrophobicContact CD1-CD1 3.98Å; I233-Y246 HydrophobicContact CD1-CE1 4.33Å; I233-C247 HydrophobicContact CD1-CB 3.81Å; I233-C247 HydrophobicContact CG2-CB 4.26Å |
| 234 | L | 97.9 | Very high | 96.3 | Very high | 3 Ų | 3 | 69.1 Ų | 69.1 | 2% | 0.016 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57.5 | -42.4 | 177.4 | -67.5 | 177.6 | 0 | 0 | 0 | 111.3 | L208 G211 F213 I221 V230 Q231 Q236 R237 | L208-L234 HydrophobicContact CD2-CD2 3.68Å; G211-L234 VanDerWaalsContact CA-O 3.31Å; G211-L234 WeakPolarHBondContact CA-O 3.48Å; F213-L234 HydrophobicContact CD1-CD1 3.71Å; F213-L234 HydrophobicContact CE1-CD1 3.69Å; I221-L234 HydrophobicContact CD1-CD1 4.4Å; V230-L234 HydrophobicContact CG1-CD1 4.09Å; V230-L234 HydrophobicContact CG1-CG 4.34Å; V230-L234 WeakPolarHBondContact O-CG 3.4Å; V230-L234 PolarHBondContact O-N 3.4Å; Q231-L234 PolarHBondContact O-N 3.44Å; L234-Q236 PolarHBondContact O-N 3.43Å; L234-R237 PolarHBondContact O-N 2.9Å; L234-R237 VanDerWaalsContact O-N 3.16Å |
| 235 | R | 97.3 | Very high | 96.2 | Very high | 145 Ų | 145 | 68.5 Ų | 68.5 | 55% | 0.547 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.6 | -26.8 | 177.5 | -176.2 | 166.5 | 72.7 | 130.8 | 2 | 113.8 | Y136 Q231 N232 I233 R237 | Y136-R235 HydrophobicContact CD1-CB 3.94Å; Y136-R235 HydrophobicContact CD1-CG 3.81Å; Y136-R235 HydrophobicContact CE1-CB 3.89Å; Y136-R235 HydrophobicContact CE1-CG 3.52Å; Y136-R235 HydrophobicContact CG-CG 4.44Å; Q231-R235 WeakPolarHBondContact O-CB 3.35Å; Q231-R235 PolarHBondContact O-N 3.16Å; N232-R235 PolarHBondContact O-N 2.96Å; I233-R235 VanDerWaalsContact C-N 3.27Å; I233-R235 PolarHBondContact O-N 3.41Å; R235-R237 VanDerWaalsContact C-N 3.27Å; R235-R237 PolarHBondContact O-N 3.45Å |
| 236 | Q | 97 | Very high | 96.3 | Very high | 115 Ų | 115 | 69.8 Ų | 69.8 | 54% | 0.537 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -71.9 | -20.6 | 178.1 | -73.3 | 175.1 | 7.2 | 0 | 0 | 113.2 | N232 I233 L234 T238 | N232-Q236 WeakPolarHBondContact O-CG 3.38Å; N232-Q236 PolarHBondContact O-N 2.72Å; I233-Q236 WeakPolarHBondContact O-CB 3.3Å; I233-Q236 PolarHBondContact O-N 2.94Å; L234-Q236 PolarHBondContact O-N 3.43Å; Q236-T238 PolarHBondContact O-N 2.89Å |
| 237 | R | 95.9 | Very high | 96.4 | Very high | 84 Ų | 84 | 63.4 Ų | 63.4 | 32% | 0.317 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | 43.2 | -173.6 | -60.9 | -168 | -172.1 | -119.7 | 6.2 | 112.3 | D134 T209 E210 L234 R235 | D134-R237 IonicContact OD1-CZ 3.59Å; D134-R237 IonicContact OD1-NH1 3.79Å; D134-R237 IonicContact OD1-NH2 3.77Å; D134-R237 PolarHBondContact OD1-NH2 3.19Å; T209-R237 CarbonylContact O-C 3.58Å; T209-R237 WeakPolarHBondContact O-CA 3.33Å; T209-R237 WeakPolarHBondContact O-CB 3.47Å; E210-R237 PolarHBondContact O-NH1 2.55Å; L234-R237 PolarHBondContact O-N 2.9Å; L234-R237 VanDerWaalsContact O-N 3.16Å; R235-R237 VanDerWaalsContact C-N 3.27Å; R235-R237 PolarHBondContact O-N 3.45Å |
| 238 | T | 95.3 | Very high | 96.4 | Very high | 21 Ų | 21 | 63.4 Ų | 63.4 | 13% | 0.129 | 30% | 0.3 | C | S | . | . | trans | -76.4 | 141.8 | -167.6 | -172 | 0 | 0 | 0 | 0 | 111.8 | T209 I233 Q236 N240 I243 K244 | T209-T238 PolarHBondContact OG1-O 3.35Å; I233-T238 HydrophobicContact CG2-CG2 4.49Å; Q236-T238 PolarHBondContact O-N 2.89Å; T238-N240 VanDerWaalsContact OG1-CB 3.29Å; T238-N240 WeakPolarHBondContact OG1-CB 3.48Å; T238-N240 PolarHBondContact OG1-N 3.34Å; T238-N240 VanDerWaalsContact OG1-N 3.09Å; T238-I243 HydrophobicContact CG2-CB 4.05Å; T238-I243 HydrophobicContact CG2-CD1 4.48Å; T238-I243 HydrophobicContact CG2-CG2 3.81Å; T238-K244 VanDerWaalsContact O-CE 3.3Å; T238-K244 WeakPolarHBondContact O-CE 3.31Å | ||
| 239 | E | 94.3 | Very high | 96.4 | Very high | 121 Ų | 121 | 65.2 Ų | 65.2 | 57% | 0.565 | 30% | 0.303 | S | S | * | . | trans | -95 | -1.7 | 167.3 | -64.2 | -173.2 | -170.6 | 0 | 0 | 111.8 | K71 T209 I241 | K71-E239 WeakPolarHBondContact CE-OE1 3.31Å; K71-E239 IonicContact NZ-OE1 3.98Å; T209-E239 HydrophobicContact CG2-CG 3.89Å; E239-I241 PolarHBondContact O-N 3.04Å | ||
| 240 | N | 95.5 | Very high | 96.5 | Very high | 74 Ų | 74 | 64.9 Ų | 64.9 | 40% | 0.396 | 30% | 0.3 | S | S | . | . | trans | -68.1 | 117.9 | -178.8 | -175.1 | -58.4 | 0 | 0 | 0 | 111.3 | T238 D242 I243 K244 | T238-N240 VanDerWaalsContact OG1-CB 3.29Å; T238-N240 WeakPolarHBondContact OG1-CB 3.48Å; T238-N240 PolarHBondContact OG1-N 3.34Å; T238-N240 VanDerWaalsContact OG1-N 3.09Å; N240-D242 VanDerWaalsContact C-N 3.32Å; N240-D242 PolarHBondContact O-N 3.35Å; N240-D242 WeakPolarHBondContact OD1-CA 3.41Å; N240-D242 WeakPolarHBondContact OD1-CB 3.38Å; N240-D242 PolarHBondContact OD1-N 3.29Å; N240-I243 HydrophobicContact CB-CB 4.3Å; N240-I243 HydrophobicContact CB-CD1 3.92Å; N240-I243 HydrophobicContact CB-CG1 4.03Å; N240-I243 PolarHBondContact O-N 3.4Å; N240-I243 PolarHBondContact OD1-N 3.21Å; N240-I243 VanDerWaalsContact OD1-N 3.1Å; N240-K244 WeakPolarHBondContact O-CG 3.37Å; N240-K244 PolarHBondContact O-N 3.49Å; N240-K244 VanDerWaalsContact O-N 3.12Å | ||
| 241 | I | 93.4 | Very high | 96.5 | Very high | 95 Ų | 95 | 64.8 Ų | 64.8 | 49% | 0.487 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.1 | -36.5 | -176.1 | -62.3 | 170.6 | 0 | 0 | 0 | 111.9 | F204 E239 K244 K245 | F204-I241 HydrophobicContact CD1-CG2 4.26Å; F204-I241 HydrophobicContact CE1-CG2 4.26Å; E239-I241 PolarHBondContact O-N 3.04Å; I241-K244 PolarHBondContact O-N 2.9Å; I241-K245 HydrophobicContact CG2-CD 4.1Å; I241-K245 HydrophobicContact CG2-CG 4.36Å; I241-K245 WeakPolarHBondContact O-CG 3.42Å; I241-K245 PolarHBondContact O-N 3.39Å |
| 242 | D | 95.2 | Very high | 96.4 | Very high | 108 Ų | 108 | 66.1 Ų | 66.1 | 58% | 0.578 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -71.3 | -38 | -178 | -59.6 | -41.5 | 0 | 0 | 0 | 111.3 | N240 K244 K245 Y246 | N240-D242 VanDerWaalsContact C-N 3.32Å; N240-D242 PolarHBondContact O-N 3.35Å; N240-D242 WeakPolarHBondContact OD1-CA 3.41Å; N240-D242 WeakPolarHBondContact OD1-CB 3.38Å; N240-D242 PolarHBondContact OD1-N 3.29Å; D242-K244 VanDerWaalsContact C-N 3.33Å; D242-K245 PolarHBondContact O-N 3.27Å; D242-Y246 VanDerWaalsContact O-CB 3.28Å; D242-Y246 WeakPolarHBondContact O-CB 3.4Å; D242-Y246 PolarHBondContact O-N 2.93Å |
| 243 | I | 96.4 | Very high | 96.4 | Very high | 49 Ų | 49 | 69.5 Ų | 69.5 | 25% | 0.251 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.3 | -41.1 | 172.9 | -59.3 | 178.4 | 0 | 0 | 0 | 110.6 | I233 T238 N240 Y246 C247 | I233-I243 HydrophobicContact CD1-CG2 4.17Å; I233-I243 HydrophobicContact CG1-CG2 3.97Å; I233-I243 HydrophobicContact CG2-CG2 3.86Å; T238-I243 HydrophobicContact CG2-CB 4.05Å; T238-I243 HydrophobicContact CG2-CD1 4.48Å; T238-I243 HydrophobicContact CG2-CG2 3.81Å; N240-I243 HydrophobicContact CB-CB 4.3Å; N240-I243 HydrophobicContact CB-CD1 3.92Å; N240-I243 HydrophobicContact CB-CG1 4.03Å; N240-I243 PolarHBondContact O-N 3.4Å; N240-I243 PolarHBondContact OD1-N 3.21Å; N240-I243 VanDerWaalsContact OD1-N 3.1Å; I243-Y246 PolarHBondContact O-N 3.47Å; I243-C247 PolarHBondContact O-N 3.43Å |
| 244 | K | 95.8 | Very high | 96.4 | Very high | 10 Ų | 10 | 70 Ų | 70 | 4% | 0.043 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.7 | -48.3 | 175.8 | -72 | 175.6 | 168.3 | -170.1 | 0 | 112.1 | F204 C205 L208 T209 T238 N240 I241 D242 Y246 C247 V248 | F204-K244 HydrophobicContact CD1-CB 4.1Å; F204-K244 HydrophobicContact CD1-CD 4Å; F204-K244 HydrophobicContact CE1-CB 3.7Å; F204-K244 HydrophobicContact CE1-CD 4.45Å; F204-K244 WeakPolarHBondContact O-CD 3.35Å; F204-K244 PolarHBondContact O-NZ 2.81Å; C205-K244 HydrophobicContact CB-CB 4.38Å; C205-K244 HydrophobicContact CB-CD 4.24Å; C205-K244 HydrophobicContact CB-CG 4.48Å; L208-K244 HydrophobicContact CB-CG 4.32Å; L208-K244 HydrophobicContact CD1-CB 4.13Å; L208-K244 HydrophobicContact CD1-CG 4.15Å; T209-K244 WeakPolarHBondContact OG1-CE 3.3Å; T209-K244 PolarHBondContact OG1-NZ 3.42Å; T238-K244 VanDerWaalsContact O-CE 3.3Å; T238-K244 WeakPolarHBondContact O-CE 3.31Å; N240-K244 WeakPolarHBondContact O-CG 3.37Å; N240-K244 PolarHBondContact O-N 3.49Å; N240-K244 VanDerWaalsContact O-N 3.12Å; I241-K244 PolarHBondContact O-N 2.9Å; D242-K244 VanDerWaalsContact C-N 3.33Å; K244-Y246 VanDerWaalsContact C-N 3.3Å; K244-Y246 PolarHBondContact O-N 3.18Å; K244-C247 WeakPolarHBondContact O-CB 3.48Å; K244-C247 PolarHBondContact O-N 3.01Å; K244-V248 WeakPolarHBondContact O-CG2 2.86Å; K244-V248 PolarHBondContact O-N 2.87Å |
| 245 | K | 94.9 | Very high | 96.4 | Very high | 95 Ų | 95 | 71.2 Ų | 71.2 | 41% | 0.413 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.6 | -43.5 | 175.6 | -75.1 | 173 | -179.6 | 169.1 | 0 | 111.6 | F204 I241 D242 C247 V248 H249 | F204-K245 HydrophobicContact CE1-CG 3.91Å; F204-K245 HydrophobicContact CZ-CG 3.87Å; I241-K245 HydrophobicContact CG2-CD 4.1Å; I241-K245 HydrophobicContact CG2-CG 4.36Å; I241-K245 WeakPolarHBondContact O-CG 3.42Å; I241-K245 PolarHBondContact O-N 3.39Å; D242-K245 PolarHBondContact O-N 3.27Å; K245-C247 VanDerWaalsContact C-N 3.34Å; K245-C247 PolarHBondContact O-N 3.18Å; K245-V248 PolarHBondContact O-N 2.96Å; K245-H249 PolarHBondContact O-CD2 2.87Å; K245-H249 PolarHBondContact O-N 3.1Å |
| 246 | Y | 96.7 | Very high | 96.5 | Very high | 130 Ų | 130 | 64.3 Ų | 64.3 | 51% | 0.51 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 176 | 175 | -105.8 | 0 | 0 | 0 | 112.3 | Q229 I233 D242 I243 K244 Y250 | Q229-Y246 VanDerWaalsContact CD-CE1 3.43Å; Q229-Y246 HydrophobicContact CG-CE1 3.96Å; Q229-Y246 PolarHBondContact NE2-OH 2.96Å; Q229-Y246 VanDerWaalsContact NE2-OH 3.11Å; Q229-Y246 PolarHBondContact OE1-OH 2.88Å; Q229-Y246 VanDerWaalsContact OE1-OH 3.06Å; I233-Y246 HydrophobicContact CD1-CD1 3.98Å; I233-Y246 HydrophobicContact CD1-CE1 4.33Å; D242-Y246 VanDerWaalsContact O-CB 3.28Å; D242-Y246 WeakPolarHBondContact O-CB 3.4Å; D242-Y246 PolarHBondContact O-N 2.93Å; I243-Y246 PolarHBondContact O-N 3.47Å; K244-Y246 VanDerWaalsContact C-N 3.3Å; K244-Y246 PolarHBondContact O-N 3.18Å; Y246-Y250 PolarHBondContact O-N 3.37Å |
| 247 | C | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.1 | -48.8 | 173.8 | -166.8 | 0 | 0 | 0 | 0 | 111.6 | L208 I233 I243 K244 K245 H249 Y250 L251 | L208-C247 HydrophobicContact CD1-CB 3.75Å; I233-C247 HydrophobicContact CD1-CB 3.81Å; I233-C247 HydrophobicContact CG2-CB 4.26Å; I243-C247 PolarHBondContact O-N 3.43Å; K244-C247 WeakPolarHBondContact O-CB 3.48Å; K244-C247 PolarHBondContact O-N 3.01Å; K245-C247 VanDerWaalsContact C-N 3.34Å; K245-C247 PolarHBondContact O-N 3.18Å; C247-H249 PolarHBondContact O-N 3.35Å; C247-Y250 WeakPolarHBondContact O-CB 3.42Å; C247-Y250 PolarHBondContact O-N 3.34Å; C247-Y250 VanDerWaalsContact O-N 3.13Å; C247-L251 WeakPolarHBondContact O-CG 3.46Å; C247-L251 PolarHBondContact O-N 3.11Å |
| 248 | V | 96.7 | Very high | 96.6 | Very high | 25 Ų | 25 | 58.1 Ų | 58.1 | 15% | 0.152 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.9 | -45.3 | 178.7 | 170.5 | 0 | 0 | 0 | 0 | 111.6 | C205 L208 K244 K245 Y250 L251 E252 F257 | C205-V248 WeakPolarHBondContact SG-CG2 3.3Å; L208-V248 HydrophobicContact CD1-CG2 4.45Å; K244-V248 WeakPolarHBondContact O-CG2 2.86Å; K244-V248 PolarHBondContact O-N 2.87Å; K245-V248 PolarHBondContact O-N 2.96Å; V248-Y250 VanDerWaalsContact C-N 3.31Å; V248-Y250 PolarHBondContact O-N 3.12Å; V248-L251 WeakPolarHBondContact O-CB 3.45Å; V248-L251 PolarHBondContact O-N 3.35Å; V248-L251 VanDerWaalsContact O-N 3.16Å; V248-E252 PolarHBondContact O-N 3.04Å; V248-F257 HydrophobicContact CG1-CE2 3.97Å; V248-F257 HydrophobicContact CG1-CZ 4.07Å |
| 249 | H | 96.7 | Very high | 96.7 | Very high | 120 Ų | 120 | 61 Ų | 61 | 56% | 0.556 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -59.7 | -42.8 | 175.2 | -74.8 | -54.2 | 0 | 0 | 0 | 111.9 | K245 C247 L251 E252 D253 | K245-H249 PolarHBondContact O-CD2 2.87Å; K245-H249 PolarHBondContact O-N 3.1Å; C247-H249 PolarHBondContact O-N 3.35Å; H249-L251 VanDerWaalsContact C-N 3.34Å; H249-L251 PolarHBondContact O-N 3.12Å; H249-E252 PolarHBondContact O-N 2.96Å; H249-D253 VanDerWaalsContact O-CG 3.31Å; H249-D253 PolarHBondContact O-N 2.77Å |
| 250 | Y | 97.9 | Very high | 96.9 | Very high | 38 Ų | 38 | 55.2 Ų | 55.2 | 15% | 0.149 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.6 | -40.8 | 175 | -179.1 | -99.1 | 0 | 0 | 0 | 112.5 | S227 V230 Y246 C247 V248 E252 D253 V254 | S227-Y250 VanDerWaalsContact CB-OH 3.27Å; S227-Y250 WeakPolarHBondContact CB-OH 3.46Å; S227-Y250 PolarHBondContact OG-OH 2.91Å; V230-Y250 HydrophobicContact CG2-CD1 3.66Å; V230-Y250 HydrophobicContact CG2-CE1 3.68Å; Y246-Y250 PolarHBondContact O-N 3.37Å; C247-Y250 WeakPolarHBondContact O-CB 3.42Å; C247-Y250 PolarHBondContact O-N 3.34Å; C247-Y250 VanDerWaalsContact O-N 3.13Å; V248-Y250 VanDerWaalsContact C-N 3.31Å; V248-Y250 PolarHBondContact O-N 3.12Å; Y250-E252 VanDerWaalsContact C-N 3.3Å; Y250-E252 PolarHBondContact O-N 2.84Å; Y250-D253 PolarHBondContact O-N 3.43Å; Y250-V254 HydrophobicContact CD1-CG1 4.46Å; Y250-V254 HydrophobicContact CD2-CG1 4.3Å; Y250-V254 HydrophobicContact CE1-CG1 4.04Å; Y250-V254 HydrophobicContact CE2-CG1 3.88Å; Y250-V254 WeakPolarHBondContact O-CG1 3.43Å; Y250-V254 VanDerWaalsContact O-CG2 3.3Å; Y250-V254 WeakPolarHBondContact O-CG2 3.45Å; Y250-V254 PolarHBondContact O-N 2.93Å; Y250-V254 VanDerWaalsContact O-N 3.09Å |
| 251 | L | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.9 | -37.2 | 175.7 | -64.4 | -179.4 | 0 | 0 | 0 | 112.2 | L193 P216 T217 A220 V230 C247 V248 H249 G255 S256 F257 | L193-L251 HydrophobicContact CD1-CD1 3.86Å; P216-L251 HydrophobicContact CB-CD1 4.49Å; T217-L251 HydrophobicContact CG2-CD1 4.24Å; A220-L251 HydrophobicContact CB-CD2 3.31Å; V230-L251 HydrophobicContact CG2-CD2 4.21Å; C247-L251 WeakPolarHBondContact O-CG 3.46Å; C247-L251 PolarHBondContact O-N 3.11Å; V248-L251 WeakPolarHBondContact O-CB 3.45Å; V248-L251 PolarHBondContact O-N 3.35Å; V248-L251 VanDerWaalsContact O-N 3.16Å; H249-L251 VanDerWaalsContact C-N 3.34Å; H249-L251 PolarHBondContact O-N 3.12Å; L251-G255 PolarHBondContact O-N 3.35Å; L251-S256 WeakPolarHBondContact O-CB 3.26Å; L251-S256 PolarHBondContact O-N 3.5Å; L251-F257 HydrophobicContact CB-CD2 4.19Å; L251-F257 HydrophobicContact CB-CE2 3.68Å; L251-F257 HydrophobicContact CB-CZ 4.06Å; L251-F257 HydrophobicContact CD1-CZ 4.11Å |
| 252 | E | 96.8 | Very high | 97.3 | Very high | 84 Ų | 84 | 50.8 Ų | 50.8 | 39% | 0.393 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67.4 | -49.7 | 174 | -174.8 | 62.5 | -152 | 0 | 0 | 111.2 | V248 H249 Y250 V254 G255 F257 | V248-E252 PolarHBondContact O-N 3.04Å; H249-E252 PolarHBondContact O-N 2.96Å; Y250-E252 VanDerWaalsContact C-N 3.3Å; Y250-E252 PolarHBondContact O-N 2.84Å; E252-V254 PolarHBondContact O-N 3.38Å; E252-G255 WeakPolarHBondContact O-CA 3.41Å; E252-G255 PolarHBondContact O-N 2.81Å; E252-F257 HydrophobicContact CB-CD2 3.98Å; E252-F257 HydrophobicContact CB-CE2 4.33Å; E252-F257 WeakPolarHBondContact OE2-CB 3.49Å; E252-F257 WeakPolarHBondContact OE2-CD2 3.5Å |
| 253 | D | 97.4 | Very high | 97.4 | Very high | 133 Ų | 133 | 46.3 Ų | 46.3 | 71% | 0.711 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -59.6 | -34.1 | -177.6 | -71.4 | -19.5 | 0 | 0 | 0 | 112.9 | H249 Y250 G255 | H249-D253 VanDerWaalsContact O-CG 3.31Å; H249-D253 PolarHBondContact O-N 2.77Å; Y250-D253 PolarHBondContact O-N 3.43Å; D253-G255 VanDerWaalsContact C-N 3.31Å |
| 254 | V | 97.9 | Very high | 97.5 | Very high | 21 Ų | 21 | 44 Ų | 44 | 13% | 0.127 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 1.4 | 177.5 | -53.8 | 0 | 0 | 0 | 0 | 113.2 | A220 R224 Y250 E252 | A220-V254 HydrophobicContact CB-CG2 3.94Å; R224-V254 HydrophobicContact CG-CB 4.15Å; R224-V254 HydrophobicContact CG-CG1 3.86Å; Y250-V254 HydrophobicContact CD1-CG1 4.46Å; Y250-V254 HydrophobicContact CD2-CG1 4.3Å; Y250-V254 HydrophobicContact CE1-CG1 4.04Å; Y250-V254 HydrophobicContact CE2-CG1 3.88Å; Y250-V254 WeakPolarHBondContact O-CG1 3.43Å; Y250-V254 VanDerWaalsContact O-CG2 3.3Å; Y250-V254 WeakPolarHBondContact O-CG2 3.45Å; Y250-V254 PolarHBondContact O-N 2.93Å; Y250-V254 VanDerWaalsContact O-N 3.09Å; E252-V254 PolarHBondContact O-N 3.38Å |
| 255 | G | 97.9 | Very high | 97.6 | Very high | 27 Ų | 27 | 47.7 Ų | 47.7 | 28% | 0.278 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | 16.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L251 E252 D253 F257 E258 Y259 | L251-G255 PolarHBondContact O-N 3.35Å; E252-G255 WeakPolarHBondContact O-CA 3.41Å; E252-G255 PolarHBondContact O-N 2.81Å; D253-G255 VanDerWaalsContact C-N 3.31Å; G255-F257 VanDerWaalsContact C-N 3.34Å; G255-F257 PolarHBondContact O-N 3.02Å; G255-E258 PolarHBondContact O-N 3.27Å; G255-Y259 WeakPolarHBondContact O-CB 3.47Å; G255-Y259 PolarHBondContact O-N 3.02Å |
| 256 | S | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.5 | -36 | -179 | -72.1 | 0 | 0 | 0 | 0 | 113.5 | P216 H219 A220 L251 T260 | P216-S256 VanDerWaalsContact O-CB 3.29Å; P216-S256 WeakPolarHBondContact O-CB 3.3Å; P216-S256 PolarHBondContact O-OG 3.37Å; P216-S256 VanDerWaalsContact O-OG 3.06Å; H219-S256 WeakPolarHBondContact ND1-CA 3.28Å; H219-S256 PolarHBondContact ND1-OG 3.02Å; A220-S256 WeakPolarHBondContact CA-OG 3.43Å; A220-S256 WeakPolarHBondContact CB-OG 3.33Å; A220-S256 PolarHBondContact N-OG 3.2Å; L251-S256 WeakPolarHBondContact O-CB 3.26Å; L251-S256 PolarHBondContact O-N 3.5Å; S256-T260 WeakPolarHBondContact O-CB 3.45Å; S256-T260 PolarHBondContact O-N 3.2Å; S256-T260 PolarHBondContact O-OG1 2.88Å |
| 257 | F | 97.3 | Very high | 97.9 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.6 | -42.6 | 176.4 | -69.4 | -59.2 | 0 | 0 | 0 | 111.6 | Y190 L193 H194 P216 V248 L251 E252 G255 T260 R261 | Y190-F257 AromaticContact CD2-CD1 3.96Å; Y190-F257 HydrophobicContact CD2-CD1 3.96Å; Y190-F257 HydrophobicContact CE2-CB 4.08Å; Y190-F257 AromaticContact CE2-CD1 3.79Å; Y190-F257 HydrophobicContact CE2-CD1 3.79Å; Y190-F257 HydrophobicContact CE2-CG 4.36Å; L193-F257 HydrophobicContact CB-CE1 3.79Å; L193-F257 HydrophobicContact CB-CZ 3.97Å; H194-F257 HydrophobicContact CB-CD1 4.2Å; H194-F257 HydrophobicContact CB-CE1 3.97Å; H194-F257 AromaticContact CD2-CD1 3.91Å; H194-F257 AromaticContact CD2-CG 3.89Å; P216-F257 HydrophobicContact CB-CE1 4.43Å; V248-F257 HydrophobicContact CG1-CE2 3.97Å; V248-F257 HydrophobicContact CG1-CZ 4.07Å; L251-F257 HydrophobicContact CB-CD2 4.19Å; L251-F257 HydrophobicContact CB-CE2 3.68Å; L251-F257 HydrophobicContact CB-CZ 4.06Å; L251-F257 HydrophobicContact CD1-CZ 4.11Å; E252-F257 HydrophobicContact CB-CD2 3.98Å; E252-F257 HydrophobicContact CB-CE2 4.33Å; E252-F257 WeakPolarHBondContact OE2-CB 3.49Å; E252-F257 WeakPolarHBondContact OE2-CD2 3.5Å; G255-F257 VanDerWaalsContact C-N 3.34Å; G255-F257 PolarHBondContact O-N 3.02Å; F257-T260 WeakPolarHBondContact O-CB 3.42Å; F257-T260 PolarHBondContact O-N 3.25Å; F257-R261 WeakPolarHBondContact O-CG 3.35Å; F257-R261 PolarHBondContact O-N 2.76Å |
| 258 | E | 97.5 | Very high | 97.9 | Very high | 68 Ų | 68 | 44.8 Ų | 44.8 | 32% | 0.318 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.2 | -41.2 | 175.3 | -175.2 | 54 | -149.7 | 0 | 0 | 112.2 | G255 T260 R261 N262 R265 | G255-E258 PolarHBondContact O-N 3.27Å; E258-T260 VanDerWaalsContact C-N 3.32Å; E258-T260 PolarHBondContact O-N 2.95Å; E258-R261 PolarHBondContact O-N 2.77Å; E258-R261 IonicContact OE2-CZ 3.5Å; E258-R261 VanDerWaalsContact OE2-CZ 3.25Å; E258-R261 IonicContact OE2-NE 3.33Å; E258-R261 PolarHBondContact OE2-NE 3Å; E258-R261 IonicContact OE2-NH2 3.76Å; E258-R261 PolarHBondContact OE2-NH2 3.34Å; E258-N262 PolarHBondContact O-N 3.1Å; E258-N262 PolarHBondContact O-ND2 2.99Å; E258-N262 VanDerWaalsContact O-ND2 3.07Å; E258-N262 PolarHBondContact OE1-ND2 2.89Å; E258-N262 PolarHBondContact OE1-OD1 3.23Å; E258-R265 IonicContact OE1-NH1 2.79Å; E258-R265 PolarHBondContact OE1-NH1 3.11Å |
| 259 | Y | 98.5 | Very high | 98 | Very high | 81 Ų | 81 | 46.1 Ų | 46.1 | 32% | 0.318 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -56 | -48.7 | 172.2 | -177.5 | -99.3 | 0 | 0 | 0 | 111.1 | E141 F215 H219 G255 R261 N262 T263 | E141-Y259 PolarHBondContact OE1-OH 2.71Å; E141-Y259 WeakPolarHBondContact OE2-CE1 3.14Å; E141-Y259 PolarHBondContact OE2-OH 2.73Å; F215-Y259 AromaticContact CE1-CD1 3.79Å; F215-Y259 HydrophobicContact CE1-CD1 3.79Å; F215-Y259 AromaticContact CE1-CE1 3.68Å; F215-Y259 HydrophobicContact CE1-CE1 3.68Å; F215-Y259 HydrophobicContact CZ-CD1 4.3Å; F215-Y259 AromaticContact CZ-CE1 3.71Å; F215-Y259 HydrophobicContact CZ-CE1 3.71Å; H219-Y259 HydrophobicContact CB-CD1 3.93Å; H219-Y259 HydrophobicContact CB-CE1 4.31Å; H219-Y259 AromaticContact CD2-CD1 3.3Å; H219-Y259 WeakPolarHBondContact CD2-CD1 3.3Å; H219-Y259 AromaticContact CD2-CD2 3.7Å; H219-Y259 AromaticContact CD2-CE1 3.64Å; H219-Y259 AromaticContact CD2-CG 3.31Å; H219-Y259 AromaticContact CG-CD1 3.65Å; H219-Y259 AromaticContact CG-CG 3.89Å; H219-Y259 AromaticContact NE2-CD2 3.73Å; H219-Y259 AromaticContact NE2-CG 3.58Å; G255-Y259 WeakPolarHBondContact O-CB 3.47Å; G255-Y259 PolarHBondContact O-N 3.02Å; Y259-R261 PolarHBondContact O-N 3.23Å; Y259-N262 PolarHBondContact O-N 2.95Å; Y259-N262 VanDerWaalsContact O-N 3.17Å; Y259-T263 PolarHBondContact O-N 3.09Å; Y259-T263 PolarHBondContact O-OG1 2.7Å; Y259-T263 VanDerWaalsContact O-OG1 3.12Å |
| 260 | T | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.7 | -44.1 | 178.5 | -56 | 0 | 0 | 0 | 0 | 112.2 | I186 Y190 F215 P216 S256 F257 E258 N262 T263 L264 | I186-T260 HydrophobicContact CG2-CG2 3.68Å; Y190-T260 HydrophobicContact CD2-CG2 3.8Å; Y190-T260 HydrophobicContact CG-CG2 4.26Å; F215-T260 HydrophobicContact CD1-CG2 3.9Å; F215-T260 HydrophobicContact CE1-CG2 4.48Å; P216-T260 HydrophobicContact CG-CG2 4.28Å; S256-T260 WeakPolarHBondContact O-CB 3.45Å; S256-T260 PolarHBondContact O-N 3.2Å; S256-T260 PolarHBondContact O-OG1 2.88Å; F257-T260 WeakPolarHBondContact O-CB 3.42Å; F257-T260 PolarHBondContact O-N 3.25Å; E258-T260 VanDerWaalsContact C-N 3.32Å; E258-T260 PolarHBondContact O-N 2.95Å; T260-N262 VanDerWaalsContact C-N 3.33Å; T260-N262 PolarHBondContact O-N 3.19Å; T260-T263 PolarHBondContact O-N 3.32Å; T260-L264 HydrophobicContact CG2-CD1 4.24Å; T260-L264 WeakPolarHBondContact O-CG 3.3Å; T260-L264 PolarHBondContact O-N 3.44Å |
| 261 | R | 97.8 | Very high | 98.1 | Very high | 17 Ų | 17 | 43.7 Ų | 43.7 | 6% | 0.064 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.6 | -41.4 | 175.2 | -72 | -171.5 | -70.4 | -97.4 | 1.1 | 111.7 | Y190 F257 E258 Y259 L264 R265 F295 E298 | Y190-R261 HydrophobicContact CE2-CG 3.76Å; Y190-R261 WeakPolarHBondContact OH-CD 3.34Å; Y190-R261 PolarHBondContact OH-NH1 3.11Å; F257-R261 WeakPolarHBondContact O-CG 3.35Å; F257-R261 PolarHBondContact O-N 2.76Å; E258-R261 PolarHBondContact O-N 2.77Å; E258-R261 IonicContact OE2-CZ 3.5Å; E258-R261 VanDerWaalsContact OE2-CZ 3.25Å; E258-R261 IonicContact OE2-NE 3.33Å; E258-R261 PolarHBondContact OE2-NE 3Å; E258-R261 IonicContact OE2-NH2 3.76Å; E258-R261 PolarHBondContact OE2-NH2 3.34Å; Y259-R261 PolarHBondContact O-N 3.23Å; R261-L264 PolarHBondContact O-N 3.12Å; R261-R265 VanDerWaalsContact O-CG 3.28Å; R261-R265 WeakPolarHBondContact O-CG 3.44Å; R261-R265 PolarHBondContact O-N 3.38Å; R261-F295 HydrophobicContact CG-CB 4.23Å; R261-E298 IonicContact CZ-OE2 2.74Å; R261-E298 IonicContact NE-OE2 2.91Å; R261-E298 IonicContact NH1-OE1 3.73Å; R261-E298 IonicContact NH1-OE2 3.87Å; R261-E298 PolarHBondContact NH1-OE2 3.12Å |
| 262 | N | 98.3 | Very high | 98.1 | Very high | 60 Ų | 60 | 46.7 Ų | 46.7 | 32% | 0.321 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65 | -44.9 | 177 | -72.9 | -38.8 | 0 | 0 | 0 | 112 | E258 Y259 T260 L264 R265 E266 | E258-N262 PolarHBondContact O-N 3.1Å; E258-N262 PolarHBondContact O-ND2 2.99Å; E258-N262 VanDerWaalsContact O-ND2 3.07Å; E258-N262 PolarHBondContact OE1-ND2 2.89Å; E258-N262 PolarHBondContact OE1-OD1 3.23Å; Y259-N262 PolarHBondContact O-N 2.95Å; Y259-N262 VanDerWaalsContact O-N 3.17Å; T260-N262 VanDerWaalsContact C-N 3.33Å; T260-N262 PolarHBondContact O-N 3.19Å; N262-L264 VanDerWaalsContact C-N 3.29Å; N262-L264 PolarHBondContact O-N 3.3Å; N262-R265 PolarHBondContact O-N 3.25Å; N262-R265 PolarHBondContact OD1-NH1 2.87Å; N262-E266 WeakPolarHBondContact O-CG 3.22Å; N262-E266 PolarHBondContact O-N 3.38Å |
| 263 | T | 98.6 | Very high | 98.2 | Very high | 14 Ų | 14 | 49.6 Ų | 49.6 | 9% | 0.086 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.9 | -41.6 | 172.8 | -51.7 | 0 | 0 | 0 | 0 | 111.9 | I186 F215 Y259 T260 E266 L267 | I186-T263 HydrophobicContact CD1-CG2 4.08Å; F215-T263 HydrophobicContact CE1-CG2 4.14Å; F215-T263 HydrophobicContact CZ-CG2 3.73Å; Y259-T263 PolarHBondContact O-N 3.09Å; Y259-T263 PolarHBondContact O-OG1 2.7Å; Y259-T263 VanDerWaalsContact O-OG1 3.12Å; T260-T263 PolarHBondContact O-N 3.32Å; T263-E266 PolarHBondContact O-N 3.4Å; T263-L267 HydrophobicContact CG2-CD1 4.06Å; T263-L267 HydrophobicContact CG2-CG 4.5Å; T263-L267 WeakPolarHBondContact O-CB 3.44Å; T263-L267 WeakPolarHBondContact O-CG 3.2Å; T263-L267 PolarHBondContact O-N 3.11Å |
| 264 | L | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.1 | -40.7 | 176.7 | -74.5 | 169.2 | 0 | 0 | 0 | 112.7 | F183 I186 R187 T260 R261 N262 E266 L267 E268 F295 | F183-L264 HydrophobicContact CD2-CD2 3.93Å; F183-L264 HydrophobicContact CE2-CD2 4.22Å; I186-L264 HydrophobicContact CB-CD2 4.03Å; I186-L264 HydrophobicContact CG2-CD1 4.36Å; I186-L264 HydrophobicContact CG2-CD2 3.85Å; I186-L264 HydrophobicContact CG2-CG 3.88Å; R187-L264 HydrophobicContact CB-CD1 4.49Å; R187-L264 HydrophobicContact CB-CD2 3.95Å; T260-L264 HydrophobicContact CG2-CD1 4.24Å; T260-L264 WeakPolarHBondContact O-CG 3.3Å; T260-L264 PolarHBondContact O-N 3.44Å; R261-L264 PolarHBondContact O-N 3.12Å; N262-L264 VanDerWaalsContact C-N 3.29Å; N262-L264 PolarHBondContact O-N 3.3Å; L264-E266 VanDerWaalsContact C-N 3.34Å; L264-L267 PolarHBondContact O-N 2.69Å; L264-E268 VanDerWaalsContact O-CB 3.3Å; L264-E268 WeakPolarHBondContact O-CB 3.45Å; L264-E268 PolarHBondContact O-N 3.3Å; L264-F295 HydrophobicContact CB-CD1 4.06Å; L264-F295 HydrophobicContact CB-CD2 4.02Å; L264-F295 HydrophobicContact CB-CE1 3.9Å; L264-F295 HydrophobicContact CB-CE2 3.92Å; L264-F295 HydrophobicContact CB-CG 4.12Å; L264-F295 HydrophobicContact CB-CZ 3.86Å; L264-F295 HydrophobicContact CD1-CB 4.13Å; L264-F295 HydrophobicContact CD1-CD1 3.72Å; L264-F295 HydrophobicContact CD1-CE1 4.24Å; L264-F295 HydrophobicContact CD1-CG 3.93Å; L264-F295 HydrophobicContact CD2-CE1 4.42Å; L264-F295 HydrophobicContact CG-CD1 4.37Å; L264-F295 HydrophobicContact CG-CE1 4.42Å |
| 265 | R | 98.4 | Very high | 98.3 | Very high | 88 Ų | 88 | 43.8 Ų | 43.8 | 33% | 0.332 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.5 | -40.2 | 174 | -69.7 | 167 | -172.3 | 146.5 | 1.8 | 111.6 | E258 R261 N262 S269 F295 | E258-R265 IonicContact OE1-NH1 2.79Å; E258-R265 PolarHBondContact OE1-NH1 3.11Å; R261-R265 VanDerWaalsContact O-CG 3.28Å; R261-R265 WeakPolarHBondContact O-CG 3.44Å; R261-R265 PolarHBondContact O-N 3.38Å; N262-R265 PolarHBondContact O-N 3.25Å; N262-R265 PolarHBondContact OD1-NH1 2.87Å; R265-S269 WeakPolarHBondContact O-CB 3.35Å; R265-S269 PolarHBondContact O-N 2.89Å; R265-F295 HydrophobicContact CG-CD2 4.45Å; R265-F295 HydrophobicContact CG-CE2 4.13Å |
| 266 | E | 98.4 | Very high | 98.3 | Very high | 135 Ų | 135 | 48.5 Ų | 48.5 | 63% | 0.631 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -65.9 | -46 | 176 | -72.3 | 177.8 | -173.2 | 0 | 0 | 112.1 | N262 T263 L264 S269 K270 | N262-E266 WeakPolarHBondContact O-CG 3.22Å; N262-E266 PolarHBondContact O-N 3.38Å; T263-E266 PolarHBondContact O-N 3.4Å; L264-E266 VanDerWaalsContact C-N 3.34Å; E266-S269 PolarHBondContact O-N 2.95Å; E266-K270 VanDerWaalsContact O-CB 3.28Å; E266-K270 WeakPolarHBondContact O-CB 3.41Å; E266-K270 PolarHBondContact O-N 3.5Å |
| 267 | L | 98.6 | Very high | 98.3 | Very high | 17 Ų | 17 | 52.4 Ų | 52.4 | 9% | 0.089 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 176.7 | -73.8 | 169 | 0 | 0 | 0 | 111.9 | T179 L182 F183 I186 T263 L264 K270 A271 | T179-L267 HydrophobicContact CG2-CD2 4.06Å; T179-L267 WeakPolarHBondContact CG2-O 3.49Å; L182-L267 HydrophobicContact CB-CD1 4.03Å; L182-L267 HydrophobicContact CB-CD2 4.14Å; L182-L267 HydrophobicContact CD1-CD2 4.36Å; F183-L267 HydrophobicContact CB-CB 4.24Å; F183-L267 HydrophobicContact CD2-CB 4.23Å; I186-L267 HydrophobicContact CD1-CD1 3.84Å; T263-L267 HydrophobicContact CG2-CD1 4.06Å; T263-L267 HydrophobicContact CG2-CG 4.5Å; T263-L267 WeakPolarHBondContact O-CB 3.44Å; T263-L267 WeakPolarHBondContact O-CG 3.2Å; T263-L267 PolarHBondContact O-N 3.11Å; L264-L267 PolarHBondContact O-N 2.69Å; L267-K270 PolarHBondContact O-N 3.03Å; L267-A271 WeakPolarHBondContact O-CB 3.28Å; L267-A271 PolarHBondContact O-N 3.23Å |
| 268 | E | 98.4 | Very high | 98.3 | Very high | 12 Ų | 12 | 55 Ų | 55 | 6% | 0.056 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.6 | -51.3 | 173.4 | -175.7 | -168.1 | -169.2 | 0 | 0 | 110.8 | F183 L264 K270 A271 Y272 I288 S292 K296 | F183-E268 HydrophobicContact CE2-CB 4.24Å; L264-E268 VanDerWaalsContact O-CB 3.3Å; L264-E268 WeakPolarHBondContact O-CB 3.45Å; L264-E268 PolarHBondContact O-N 3.3Å; E268-K270 VanDerWaalsContact C-N 3.32Å; E268-K270 PolarHBondContact O-N 3.25Å; E268-A271 PolarHBondContact O-N 3.29Å; E268-Y272 HydrophobicContact CG-CD2 4.13Å; E268-Y272 HydrophobicContact CG-CE2 3.4Å; E268-Y272 VanDerWaalsContact CG-CE2 3.4Å; E268-Y272 WeakPolarHBondContact O-CD2 3.31Å; E268-Y272 PolarHBondContact O-N 3.31Å; E268-Y272 WeakPolarHBondContact OE1-CE2 3.42Å; E268-Y272 PolarHBondContact OE1-OH 2.91Å; E268-I288 HydrophobicContact CG-CG2 3.82Å; E268-S292 VanDerWaalsContact CD-OG 3.24Å; E268-S292 WeakPolarHBondContact OE1-CB 3.28Å; E268-S292 PolarHBondContact OE1-OG 3.45Å; E268-K296 IonicContact OE1-NZ 2.66Å; E268-K296 PolarHBondContact OE1-NZ 3.34Å; E268-K296 WeakPolarHBondContact OE2-CE 3.19Å; E268-K296 IonicContact OE2-NZ 2.68Å; E268-K296 PolarHBondContact OE2-NZ 2.97Å |
| 269 | S | 98.4 | Very high | 98.3 | Very high | 52 Ų | 52 | 55.3 Ų | 55.3 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.4 | -42.1 | 178.2 | -173.8 | 0 | 0 | 0 | 0 | 111.9 | R265 E266 Y272 K273 | R265-S269 WeakPolarHBondContact O-CB 3.35Å; R265-S269 PolarHBondContact O-N 2.89Å; E266-S269 PolarHBondContact O-N 2.95Å; S269-Y272 PolarHBondContact O-N 3.41Å; S269-K273 WeakPolarHBondContact O-CG 3.38Å; S269-K273 PolarHBondContact O-N 3.33Å |
| 270 | K | 98.7 | Very high | 98.2 | Very high | 107 Ų | 107 | 52.4 Ų | 52.4 | 47% | 0.465 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 176.1 | -175.9 | 177.2 | 178.4 | 179 | 0 | 111.3 | T179 E266 L267 E268 K273 Q274 | T179-K270 HydrophobicContact CG2-CB 4.1Å; T179-K270 HydrophobicContact CG2-CD 4.03Å; T179-K270 HydrophobicContact CG2-CG 4Å; E266-K270 VanDerWaalsContact O-CB 3.28Å; E266-K270 WeakPolarHBondContact O-CB 3.41Å; E266-K270 PolarHBondContact O-N 3.5Å; L267-K270 PolarHBondContact O-N 3.03Å; E268-K270 VanDerWaalsContact C-N 3.32Å; E268-K270 PolarHBondContact O-N 3.25Å; K270-K273 PolarHBondContact O-N 3.47Å; K270-Q274 WeakPolarHBondContact O-CB 3.35Å; K270-Q274 VanDerWaalsContact O-CG 3.28Å; K270-Q274 WeakPolarHBondContact O-CG 3.17Å; K270-Q274 PolarHBondContact O-N 3.16Å |
| 271 | A | 98.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.008 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L176 T179 L180 L267 E268 K273 Q274 I275 I288 | L176-A271 HydrophobicContact CD1-CB 4.37Å; T179-A271 HydrophobicContact CG2-CB 4.07Å; L180-A271 HydrophobicContact CD2-CB 4.32Å; L267-A271 WeakPolarHBondContact O-CB 3.28Å; L267-A271 PolarHBondContact O-N 3.23Å; E268-A271 PolarHBondContact O-N 3.29Å; A271-K273 PolarHBondContact O-N 3.26Å; A271-Q274 PolarHBondContact O-N 3.06Å; A271-I275 WeakPolarHBondContact O-CD1 3.41Å; A271-I275 WeakPolarHBondContact O-CG1 3.44Å; A271-I275 PolarHBondContact O-N 3.11Å; A271-I288 HydrophobicContact CB-CD1 3.9Å |
| 272 | Y | 98.6 | Very high | 98.2 | Very high | 63 Ų | 63 | 56.1 Ų | 56.1 | 25% | 0.247 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 176 | -64.4 | -36.1 | 0 | 0 | 0 | 112.7 | E268 S269 Q274 I275 D276 V285 I288 K289 | E268-Y272 HydrophobicContact CG-CD2 4.13Å; E268-Y272 HydrophobicContact CG-CE2 3.4Å; E268-Y272 VanDerWaalsContact CG-CE2 3.4Å; E268-Y272 WeakPolarHBondContact O-CD2 3.31Å; E268-Y272 PolarHBondContact O-N 3.31Å; E268-Y272 WeakPolarHBondContact OE1-CE2 3.42Å; E268-Y272 PolarHBondContact OE1-OH 2.91Å; S269-Y272 PolarHBondContact O-N 3.41Å; Y272-Q274 VanDerWaalsContact C-N 3.3Å; Y272-Q274 PolarHBondContact O-N 2.98Å; Y272-I275 PolarHBondContact O-N 2.95Å; Y272-D276 WeakPolarHBondContact O-CB 3.21Å; Y272-D276 PolarHBondContact O-N 2.94Å; Y272-V285 HydrophobicContact CD1-CG1 4.26Å; Y272-V285 HydrophobicContact CD1-CG2 4.16Å; Y272-V285 HydrophobicContact CE1-CB 4.39Å; Y272-V285 HydrophobicContact CE1-CG1 3.92Å; Y272-V285 HydrophobicContact CE1-CG2 4.46Å; Y272-I288 HydrophobicContact CE1-CB 3.94Å; Y272-I288 HydrophobicContact CE1-CD1 4.38Å; Y272-I288 HydrophobicContact CE1-CG2 3.75Å; Y272-K289 WeakPolarHBondContact OH-CA 3.49Å; Y272-K289 PolarHBondContact OH-N 3.05Å |
| 273 | K | 98.6 | Very high | 98.1 | Very high | 145 Ų | 145 | 58 Ų | 58 | 63% | 0.63 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -60.3 | -40.7 | 175.4 | -71.9 | 175.5 | -178.7 | 176.1 | 0 | 112.1 | S269 K270 A271 A277 | S269-K273 WeakPolarHBondContact O-CG 3.38Å; S269-K273 PolarHBondContact O-N 3.33Å; K270-K273 PolarHBondContact O-N 3.47Å; A271-K273 PolarHBondContact O-N 3.26Å; K273-A277 VanDerWaalsContact O-CB 3.28Å; K273-A277 WeakPolarHBondContact O-CB 3.17Å; K273-A277 PolarHBondContact O-N 3.25Å |
| 274 | Q | 98.5 | Very high | 98.1 | Very high | 30 Ų | 30 | 57.4 Ų | 57.4 | 14% | 0.14 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.8 | -34.1 | 177.8 | -75.5 | 175.9 | -24.9 | 0 | 0 | 112.9 | P175 L176 T179 K270 A271 Y272 R278 | P175-Q274 PolarHBondContact O-NE2 3.49Å; P175-Q274 PolarHBondContact O-OE1 3.19Å; L176-Q274 HydrophobicContact CD1-CB 3.97Å; T179-Q274 PolarHBondContact OG1-NE2 3Å; T179-Q274 PolarHBondContact OG1-OE1 3.27Å; K270-Q274 WeakPolarHBondContact O-CB 3.35Å; K270-Q274 VanDerWaalsContact O-CG 3.28Å; K270-Q274 WeakPolarHBondContact O-CG 3.17Å; K270-Q274 PolarHBondContact O-N 3.16Å; A271-Q274 PolarHBondContact O-N 3.06Å; Y272-Q274 VanDerWaalsContact C-N 3.3Å; Y272-Q274 PolarHBondContact O-N 2.98Å; Q274-R278 WeakPolarHBondContact O-CD 3.19Å; Q274-R278 WeakPolarHBondContact O-CG 3.29Å; Q274-R278 PolarHBondContact O-NH1 3.37Å |
| 275 | I | 98.3 | Very high | 98 | Very high | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -70 | -46.3 | 174.6 | -69.2 | 162.8 | 0 | 0 | 0 | 110.4 | W38 L176 A271 Y272 A277 R278 G280 N281 L284 V285 I288 | W38-I275 HydrophobicContact CH2-CG1 4.19Å; W38-I275 HydrophobicContact CH2-CG2 4.35Å; W38-I275 HydrophobicContact CZ2-CG2 4.2Å; L176-I275 HydrophobicContact CD1-CG1 4.07Å; L176-I275 HydrophobicContact CD2-CG1 4Å; A271-I275 WeakPolarHBondContact O-CD1 3.41Å; A271-I275 WeakPolarHBondContact O-CG1 3.44Å; A271-I275 PolarHBondContact O-N 3.11Å; Y272-I275 PolarHBondContact O-N 2.95Å; I275-A277 PolarHBondContact O-N 3.08Å; I275-R278 CarbonylContact O-C 3.56Å; I275-R278 WeakPolarHBondContact O-CA 3.17Å; I275-R278 PolarHBondContact O-N 3.11Å; I275-G280 WeakPolarHBondContact O-CA 3.33Å; I275-G280 PolarHBondContact O-N 3.44Å; I275-N281 HydrophobicContact CG2-CB 3.7Å; I275-N281 VanDerWaalsContact CG2-N 3.32Å; I275-L284 HydrophobicContact CD1-CB 4.22Å; I275-L284 HydrophobicContact CD1-CD2 3.83Å; I275-L284 HydrophobicContact CD1-CG 3.77Å; I275-L284 HydrophobicContact CG1-CD2 3.97Å; I275-L284 HydrophobicContact CG1-CG 4.45Å; I275-V285 HydrophobicContact CD1-CG2 4.14Å; I275-V285 HydrophobicContact CG2-CG2 3.93Å; I275-I288 HydrophobicContact CD1-CD1 3.5Å |
| 276 | D | 98.3 | Very high | 98 | Very high | 125 Ų | 125 | 58.3 Ų | 58.3 | 67% | 0.668 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -60.2 | -44.8 | 177.8 | -174.5 | 65.1 | 0 | 0 | 0 | 111.7 | Y272 R278 G279 | Y272-D276 WeakPolarHBondContact O-CB 3.21Å; Y272-D276 PolarHBondContact O-N 2.94Å; D276-R278 PolarHBondContact O-N 3.28Å; D276-G279 PolarHBondContact O-N 3.41Å |
| 277 | A | 97.8 | Very high | 97.8 | Very high | 82 Ų | 82 | 52.7 Ų | 52.7 | 68% | 0.678 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -14.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | K273 I275 | K273-A277 VanDerWaalsContact O-CB 3.28Å; K273-A277 WeakPolarHBondContact O-CB 3.17Å; K273-A277 PolarHBondContact O-N 3.25Å; I275-A277 PolarHBondContact O-N 3.08Å |
| 278 | R | 97.2 | Very high | 97.7 | Very high | 55 Ų | 55 | 52 Ų | 52 | 21% | 0.208 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 18.8 | 176.3 | -69.1 | 171 | 175.2 | 70.3 | 4.2 | 112.7 | W38 D172 Q274 I275 D276 | W38-R278 HydrophobicContact CH2-CB 4.48Å; W38-R278 HydrophobicContact CZ2-CB 3.8Å; W38-R278 PolarHBondContact NE1-O 2.89Å; D172-R278 PolarHBondContact O-NH2 3.38Å; Q274-R278 WeakPolarHBondContact O-CD 3.19Å; Q274-R278 WeakPolarHBondContact O-CG 3.29Å; Q274-R278 PolarHBondContact O-NH1 3.37Å; I275-R278 CarbonylContact O-C 3.56Å; I275-R278 WeakPolarHBondContact O-CA 3.17Å; I275-R278 PolarHBondContact O-N 3.11Å; D276-R278 PolarHBondContact O-N 3.28Å |
| 279 | G | 96.9 | Very high | 97.5 | Very high | 76 Ų | 76 | 58 Ų | 58 | 78% | 0.784 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.1 | 12.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | D276 | D276-G279 PolarHBondContact O-N 3.41Š|
| 280 | G | 97.6 | Very high | 97.3 | Very high | 20 Ų | 20 | 61.1 Ų | 61.1 | 21% | 0.206 | 34% | 0.34 | C | S | . | . | trans | 85.2 | 159.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | W38 I275 | W38-G280 PolarHBondContact NE1-O 2.86Å; W38-G280 VanDerWaalsContact NE1-O 3.09Å; I275-G280 WeakPolarHBondContact O-CA 3.33Å; I275-G280 PolarHBondContact O-N 3.44Å | ||
| 281 | N | 98.4 | Very high | 96.9 | Very high | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.016 | 32% | 0.319 | C | S | . | . | trans | -160.3 | 94 | 174.8 | -174 | -35 | 0 | 0 | 0 | 109.1 | A34 W38 I275 E283 L284 V285 | A34-N281 PolarHBondContact O-ND2 3.17Å; W38-N281 HydrophobicContact CH2-CB 3.8Å; W38-N281 HydrophobicContact CZ2-CB 3.44Å; W38-N281 VanDerWaalsContact CZ2-CB 3.44Å; W38-N281 HydrophobicContact CZ3-CB 4.5Å; I275-N281 HydrophobicContact CG2-CB 3.7Å; I275-N281 VanDerWaalsContact CG2-N 3.32Å; N281-E283 VanDerWaalsContact C-N 3.28Å; N281-E283 PolarHBondContact O-N 2.69Å; N281-E283 PolarHBondContact OD1-N 2.85Å; N281-L284 HydrophobicContact CB-CB 4.03Å; N281-L284 PolarHBondContact O-N 3.24Å; N281-L284 WeakPolarHBondContact OD1-CB 3.27Å; N281-L284 PolarHBondContact OD1-N 3.28Å; N281-V285 VanDerWaalsContact O-CG2 3.31Å; N281-V285 WeakPolarHBondContact O-CG2 3.43Å; N281-V285 PolarHBondContact O-N 3.1Å | ||
| 282 | P | 97.4 | Very high | 96.7 | Very high | 92 Ų | 92 | 56.2 Ų | 56.2 | 60% | 0.597 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -60.3 | -36.2 | -173.5 | -25.4 | 34.9 | 0 | 0 | 0 | 113.6 | A286 | P282-A286 VanDerWaalsContact O-CB 3.3Å; P282-A286 WeakPolarHBondContact O-CB 3.4Å; P282-A286 PolarHBondContact O-N 3.45Å |
| 283 | E | 96.8 | Very high | 96.4 | Very high | 99 Ų | 99 | 58.3 Ų | 58.3 | 46% | 0.463 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.3 | -45.5 | -179.5 | -66.2 | 173.1 | -124.6 | 0 | 0 | 111.2 | A34 N281 A286 L287 | A34-E283 HydrophobicContact CB-CB 3.89Å; N281-E283 VanDerWaalsContact C-N 3.28Å; N281-E283 PolarHBondContact O-N 2.69Å; N281-E283 PolarHBondContact OD1-N 2.85Å; E283-A286 PolarHBondContact O-N 2.76Å; E283-L287 WeakPolarHBondContact O-CB 3.4Å; E283-L287 PolarHBondContact O-N 3.34Å |
| 284 | L | 97.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.8 | -39.9 | 178.5 | -169.2 | 54.6 | 0 | 0 | 0 | 111.5 | A34 F35 W38 L176 L180 I275 N281 L287 I288 | A34-L284 HydrophobicContact CB-CB 3.98Å; A34-L284 HydrophobicContact CB-CD1 4.23Å; F35-L284 HydrophobicContact CE2-CD1 4.27Å; F35-L284 HydrophobicContact CE2-CD2 3.98Å; F35-L284 HydrophobicContact CZ-CD2 4.14Å; W38-L284 HydrophobicContact CH2-CD2 4.05Å; W38-L284 HydrophobicContact CZ3-CD2 4Å; L176-L284 HydrophobicContact CD2-CD2 3.93Å; L180-L284 HydrophobicContact CD1-CD1 4.17Å; L180-L284 HydrophobicContact CD1-CD2 4.35Å; I275-L284 HydrophobicContact CD1-CB 4.22Å; I275-L284 HydrophobicContact CD1-CD2 3.83Å; I275-L284 HydrophobicContact CD1-CG 3.77Å; I275-L284 HydrophobicContact CG1-CD2 3.97Å; I275-L284 HydrophobicContact CG1-CG 4.45Å; N281-L284 HydrophobicContact CB-CB 4.03Å; N281-L284 PolarHBondContact O-N 3.24Å; N281-L284 WeakPolarHBondContact OD1-CB 3.27Å; N281-L284 PolarHBondContact OD1-N 3.28Å; L284-L287 HydrophobicContact CD1-CD2 4.47Å; L284-L287 PolarHBondContact O-N 2.95Å; L284-I288 HydrophobicContact CD1-CD1 4.46Å; L284-I288 HydrophobicContact CG-CD1 4.11Å; L284-I288 WeakPolarHBondContact O-CD1 3.26Å; L284-I288 VanDerWaalsContact O-CG1 3.27Å; L284-I288 WeakPolarHBondContact O-CG1 3.46Å; L284-I288 PolarHBondContact O-N 3.33Å |
| 285 | V | 97.9 | Very high | 95.3 | Very high | 51 Ų | 51 | 51.9 Ų | 51.9 | 31% | 0.309 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.3 | -46.2 | 173.8 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | Y272 I275 N281 L287 I288 K289 | Y272-V285 HydrophobicContact CD1-CG1 4.26Å; Y272-V285 HydrophobicContact CD1-CG2 4.16Å; Y272-V285 HydrophobicContact CE1-CB 4.39Å; Y272-V285 HydrophobicContact CE1-CG1 3.92Å; Y272-V285 HydrophobicContact CE1-CG2 4.46Å; I275-V285 HydrophobicContact CD1-CG2 4.14Å; I275-V285 HydrophobicContact CG2-CG2 3.93Å; N281-V285 VanDerWaalsContact O-CG2 3.31Å; N281-V285 WeakPolarHBondContact O-CG2 3.43Å; N281-V285 PolarHBondContact O-N 3.1Å; V285-L287 VanDerWaalsContact C-N 3.34Å; V285-L287 PolarHBondContact O-N 2.8Å; V285-I288 PolarHBondContact O-N 3.47Å; V285-K289 VanDerWaalsContact O-CB 3.3Å; V285-K289 WeakPolarHBondContact O-CB 3.29Å; V285-K289 PolarHBondContact O-N 3.16Å |
| 286 | A | 96.6 | Very high | 94.7 | Very high | 56 Ų | 56 | 56.6 Ų | 56.6 | 46% | 0.463 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.8 | -40.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | P282 E283 K289 H290 | P282-A286 VanDerWaalsContact O-CB 3.3Å; P282-A286 WeakPolarHBondContact O-CB 3.4Å; P282-A286 PolarHBondContact O-N 3.45Å; E283-A286 PolarHBondContact O-N 2.76Å; A286-K289 PolarHBondContact O-N 3.02Å; A286-H290 WeakPolarHBondContact O-CB 3.38Å; A286-H290 PolarHBondContact O-N 2.98Å |
| 287 | L | 95.3 | Very high | 93.1 | Very high | 17 Ų | 17 | 56.2 Ų | 56.2 | 9% | 0.089 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.2 | -49.5 | 176.2 | 179.5 | 60.5 | 0 | 0 | 0 | 111.6 | V27 K30 L31 E283 L284 V285 K289 H290 L291 | V27-L287 HydrophobicContact CG1-CD1 4.27Å; V27-L287 HydrophobicContact CG1-CD2 4.36Å; K30-L287 HydrophobicContact CB-CD1 4.46Å; K30-L287 HydrophobicContact CB-CD2 4.34Å; K30-L287 HydrophobicContact CD-CD1 4.44Å; L31-L287 HydrophobicContact CB-CD2 4.24Å; E283-L287 WeakPolarHBondContact O-CB 3.4Å; E283-L287 PolarHBondContact O-N 3.34Å; L284-L287 HydrophobicContact CD1-CD2 4.47Å; L284-L287 PolarHBondContact O-N 2.95Å; V285-L287 VanDerWaalsContact C-N 3.34Å; V285-L287 PolarHBondContact O-N 2.8Å; L287-K289 VanDerWaalsContact C-N 3.34Å; L287-K289 PolarHBondContact O-N 3.31Å; L287-H290 PolarHBondContact O-N 2.98Å; L287-L291 HydrophobicContact CD1-CD1 4.08Å; L287-L291 HydrophobicContact CD1-CG 4.36Å; L287-L291 HydrophobicContact CG-CD1 4.05Å; L287-L291 VanDerWaalsContact O-CG 3.29Å; L287-L291 WeakPolarHBondContact O-CG 3.37Å; L287-L291 PolarHBondContact O-N 3.44Å |
| 288 | I | 95.9 | Very high | 91.1 | Very high | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 178.1 | -65.4 | 162.5 | 0 | 0 | 0 | 110.3 | L180 F183 E268 A271 Y272 I275 L284 V285 H290 L291 S292 | L180-I288 HydrophobicContact CD2-CD1 3.77Å; L180-I288 HydrophobicContact CD2-CG1 3.93Å; F183-I288 HydrophobicContact CZ-CG2 4.41Å; E268-I288 HydrophobicContact CG-CG2 3.82Å; A271-I288 HydrophobicContact CB-CD1 3.9Å; Y272-I288 HydrophobicContact CE1-CB 3.94Å; Y272-I288 HydrophobicContact CE1-CD1 4.38Å; Y272-I288 HydrophobicContact CE1-CG2 3.75Å; I275-I288 HydrophobicContact CD1-CD1 3.5Å; L284-I288 HydrophobicContact CD1-CD1 4.46Å; L284-I288 HydrophobicContact CG-CD1 4.11Å; L284-I288 WeakPolarHBondContact O-CD1 3.26Å; L284-I288 VanDerWaalsContact O-CG1 3.27Å; L284-I288 WeakPolarHBondContact O-CG1 3.46Å; L284-I288 PolarHBondContact O-N 3.33Å; V285-I288 PolarHBondContact O-N 3.47Å; I288-H290 VanDerWaalsContact C-N 3.33Å; I288-H290 PolarHBondContact O-N 3.48Å; I288-L291 PolarHBondContact O-N 2.81Å; I288-S292 WeakPolarHBondContact O-CB 3.28Å; I288-S292 PolarHBondContact O-N 2.95Å; I288-S292 PolarHBondContact O-OG 3.27Å |
| 289 | K | 95.4 | Very high | 88.3 | Confident | 140 Ų | 140 | 61.4 Ų | 61.4 | 61% | 0.609 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -59.7 | -43.5 | 177.8 | -175 | 177.3 | -178.6 | 178.1 | 0 | 111.8 | Y272 V285 A286 L287 S292 | Y272-K289 WeakPolarHBondContact OH-CA 3.49Å; Y272-K289 PolarHBondContact OH-N 3.05Å; V285-K289 VanDerWaalsContact O-CB 3.3Å; V285-K289 WeakPolarHBondContact O-CB 3.29Å; V285-K289 PolarHBondContact O-N 3.16Å; A286-K289 PolarHBondContact O-N 3.02Å; L287-K289 VanDerWaalsContact C-N 3.34Å; L287-K289 PolarHBondContact O-N 3.31Å; K289-S292 PolarHBondContact O-N 3.36Å |
| 290 | H | 92.6 | Very high | 85.2 | Confident | 116 Ų | 116 | 69.8 Ų | 69.8 | 54% | 0.537 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 176.3 | 174.5 | 72.6 | 0 | 0 | 0 | 111.7 | A286 L287 I288 S292 | A286-H290 WeakPolarHBondContact O-CB 3.38Å; A286-H290 PolarHBondContact O-N 2.98Å; L287-H290 PolarHBondContact O-N 2.98Å; I288-H290 VanDerWaalsContact C-N 3.33Å; I288-H290 PolarHBondContact O-N 3.48Å; H290-S292 VanDerWaalsContact C-N 3.26Å; H290-S292 PolarHBondContact O-N 3.12Å |
| 291 | L | 91.4 | Very high | 84.6 | Confident | 6 Ų | 6 | 72.3 Ų | 72.3 | 3% | 0.031 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.5 | -28.7 | 179.1 | -67.7 | 168.1 | 0 | 0 | 0 | 112.7 | V27 F183 F184 R187 L287 I288 K293 | V27-L291 HydrophobicContact CG1-CD1 4.31Å; F183-L291 HydrophobicContact CE1-CB 3.94Å; F183-L291 HydrophobicContact CE1-CD1 4.33Å; F183-L291 HydrophobicContact CZ-CB 4.23Å; F184-L291 HydrophobicContact CD1-CD1 4.47Å; F184-L291 HydrophobicContact CE1-CD1 3.42Å; F184-L291 VanDerWaalsContact CE1-CD1 3.42Å; F184-L291 HydrophobicContact CE1-CD2 4.41Å; F184-L291 HydrophobicContact CE2-CD1 4.13Å; F184-L291 HydrophobicContact CZ-CD1 3.2Å; R187-L291 PolarHBondContact NE-O 2.94Å; L287-L291 HydrophobicContact CD1-CD1 4.08Å; L287-L291 HydrophobicContact CD1-CG 4.36Å; L287-L291 HydrophobicContact CG-CD1 4.05Å; L287-L291 VanDerWaalsContact O-CG 3.29Å; L287-L291 WeakPolarHBondContact O-CG 3.37Å; L287-L291 PolarHBondContact O-N 3.44Å; I288-L291 PolarHBondContact O-N 2.81Å; L291-K293 VanDerWaalsContact C-N 3.32Å; L291-K293 PolarHBondContact O-N 3.49Å |
| 292 | S | 93.8 | Very high | 83.9 | Confident | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -75.6 | -16.1 | -176.2 | -59.7 | 0 | 0 | 0 | 0 | 114.9 | F183 E268 I288 K289 H290 M294 F295 K296 | F183-S292 WeakPolarHBondContact CZ-OG 3.39Å; E268-S292 VanDerWaalsContact CD-OG 3.24Å; E268-S292 WeakPolarHBondContact OE1-CB 3.28Å; E268-S292 PolarHBondContact OE1-OG 3.45Å; I288-S292 WeakPolarHBondContact O-CB 3.28Å; I288-S292 PolarHBondContact O-N 2.95Å; I288-S292 PolarHBondContact O-OG 3.27Å; K289-S292 PolarHBondContact O-N 3.36Å; H290-S292 VanDerWaalsContact C-N 3.26Å; H290-S292 PolarHBondContact O-N 3.12Å; S292-M294 PolarHBondContact O-N 2.95Å; S292-F295 VanDerWaalsContact CB-CZ 3.41Å; S292-F295 PolarHBondContact O-N 3.37Å; S292-F295 WeakPolarHBondContact OG-CZ 3.43Å; S292-K296 WeakPolarHBondContact O-CG 3.19Å |
| 293 | K | 91.5 | Very high | 83.1 | Confident | 107 Ų | 107 | 75.1 Ų | 75.1 | 47% | 0.465 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -52.8 | -40.8 | 177 | -72.1 | -173.9 | 170.8 | -154.3 | 0 | 113 | L291 F295 K296 E297 | L291-K293 VanDerWaalsContact C-N 3.32Å; L291-K293 PolarHBondContact O-N 3.49Å; K293-F295 PolarHBondContact O-N 2.86Å; K293-K296 PolarHBondContact O-N 3.33Å; K293-E297 WeakPolarHBondContact CB-OE1 3.49Å; K293-E297 WeakPolarHBondContact CD-OE1 3.35Å; K293-E297 WeakPolarHBondContact O-CG 3.38Å; K293-E297 PolarHBondContact O-N 3.49Å |
| 294 | M | 87 | Confident | 82.3 | Confident | 39 Ų | 39 | 73.6 Ų | 73.6 | 19% | 0.192 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -55.6 | -28.7 | -175.4 | 176.4 | 177.8 | -85.4 | 0 | 0 | 115.1 | R187 A191 S292 | R187-M294 HydrophobicContact CG-SD 4.03Å; R187-M294 VanDerWaalsContact CZ-SD 3.54Å; R187-M294 PolarHBondContact NH2-SD 2.87Å; R187-M294 VanDerWaalsContact NH2-SD 3.45Å; A191-M294 HydrophobicContact CB-CE 4.09Å; A191-M294 HydrophobicContact CB-SD 3.58Å; A191-M294 VanDerWaalsContact CB-SD 3.58Å; S292-M294 PolarHBondContact O-N 2.95Å |
| 295 | F | 88.6 | Confident | 81.4 | Confident | 1 Ų | 1 | 78.2 Ų | 78.2 | 0% | 0.004 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -113 | 12.8 | -178.7 | 60.1 | -102.6 | 0 | 0 | 0 | 112.9 | F183 Y190 R261 L264 R265 S292 K293 | F183-F295 AromaticContact CE2-CE1 3.56Å; F183-F295 HydrophobicContact CE2-CE1 3.56Å; F183-F295 AromaticContact CE2-CZ 3.7Å; F183-F295 HydrophobicContact CE2-CZ 3.7Å; F183-F295 AromaticContact CZ-CE1 3.81Å; F183-F295 HydrophobicContact CZ-CE1 3.81Å; F183-F295 HydrophobicContact CZ-CZ 4.21Å; Y190-F295 HydrophobicContact CD1-CB 4.45Å; Y190-F295 HydrophobicContact CE1-CB 4.2Å; R261-F295 HydrophobicContact CG-CB 4.23Å; L264-F295 HydrophobicContact CB-CD1 4.06Å; L264-F295 HydrophobicContact CB-CD2 4.02Å; L264-F295 HydrophobicContact CB-CE1 3.9Å; L264-F295 HydrophobicContact CB-CE2 3.92Å; L264-F295 HydrophobicContact CB-CG 4.12Å; L264-F295 HydrophobicContact CB-CZ 3.86Å; L264-F295 HydrophobicContact CD1-CB 4.13Å; L264-F295 HydrophobicContact CD1-CD1 3.72Å; L264-F295 HydrophobicContact CD1-CE1 4.24Å; L264-F295 HydrophobicContact CD1-CG 3.93Å; L264-F295 HydrophobicContact CD2-CE1 4.42Å; L264-F295 HydrophobicContact CG-CD1 4.37Å; L264-F295 HydrophobicContact CG-CE1 4.42Å; R265-F295 HydrophobicContact CG-CD2 4.45Å; R265-F295 HydrophobicContact CG-CE2 4.13Å; S292-F295 VanDerWaalsContact CB-CZ 3.41Å; S292-F295 PolarHBondContact O-N 3.37Å; S292-F295 WeakPolarHBondContact OG-CZ 3.43Å; K293-F295 PolarHBondContact O-N 2.86Å |
| 296 | K | 85.5 | Confident | 80.3 | Confident | 100 Ų | 100 | 80 Ų | 80 | 44% | 0.435 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | -29.1 | 179.4 | -71 | -179.2 | 178.7 | 179.4 | 0 | 113.5 | E268 S292 K293 E298 | E268-K296 IonicContact OE1-NZ 2.66Å; E268-K296 PolarHBondContact OE1-NZ 3.34Å; E268-K296 WeakPolarHBondContact OE2-CE 3.19Å; E268-K296 IonicContact OE2-NZ 2.68Å; E268-K296 PolarHBondContact OE2-NZ 2.97Å; S292-K296 WeakPolarHBondContact O-CG 3.19Å; K293-K296 PolarHBondContact O-N 3.33Å; K296-E298 VanDerWaalsContact C-N 3.29Å; K296-E298 PolarHBondContact O-N 3.39Å |
| 297 | E | 63.1 | Low | 79.1 | Confident | 118 Ų | 118 | 81.7 Ų | 81.7 | 55% | 0.551 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -83.7 | 19.3 | -167 | -69.6 | 174.8 | 177.3 | 0 | 0 | 115.2 | K293 N299 | K293-E297 WeakPolarHBondContact CB-OE1 3.49Å; K293-E297 WeakPolarHBondContact CD-OE1 3.35Å; K293-E297 WeakPolarHBondContact O-CG 3.38Å; K293-E297 PolarHBondContact O-N 3.49Å; E297-N299 VanDerWaalsContact C-N 3.3Å; E297-N299 PolarHBondContact O-N 3.1Å |
| 298 | E | 55.9 | Low | 77.9 | Confident | 84 Ų | 84 | 86.7 Ų | 86.7 | 39% | 0.393 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -81.5 | -2 | 179.5 | -88 | 161.8 | -143.4 | 0 | 0 | 114.9 | Y190 H194 R261 K296 | Y190-E298 PolarHBondContact OH-OE1 3.13Å; H194-E298 IonicContact CE1-OE1 2.81Å; H194-E298 PolarHBondContact CE1-OE1 3.42Å; H194-E298 IonicContact CE1-OE2 2.65Å; H194-E298 IonicContact ND1-OE1 2.77Å; H194-E298 PolarHBondContact ND1-OE1 2.67Å; H194-E298 IonicContact NE2-OE1 3.83Å; R261-E298 IonicContact CZ-OE2 2.74Å; R261-E298 IonicContact NE-OE2 2.91Å; R261-E298 IonicContact NH1-OE1 3.73Å; R261-E298 IonicContact NH1-OE2 3.87Å; R261-E298 PolarHBondContact NH1-OE2 3.12Å; K296-E298 VanDerWaalsContact C-N 3.29Å; K296-E298 PolarHBondContact O-N 3.39Å |
| 299 | N | 39.8 | Very low | 76.4 | Confident | 161 Ų | 161 | 93.8 Ų | 93.8 | 86% | 0.861 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -125.6 | 23.3 | -177.3 | -73.9 | -34.4 | 0 | 0 | 0 | 114.7 | E297 | E297-N299 VanDerWaalsContact C-N 3.3Å; E297-N299 PolarHBondContact O-N 3.1Å |
| 300 | E | 32.2 | Very low | 74.7 | Confident | 253 Ų | 253 | 89.5 Ų | 89.5 | 100% | 1.182 | 42% | 0.423 | S | S | * | . | trans | -115.5 | 0 | 166.7 | -75.1 | -172.6 | 177.4 | 0 | 0 | 112.2 |
Retrieved 300 of 300 residues in 1543.5 ms
(Link to these results)