| 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 | 72.7 | Confident | 85.1 | Confident | 147 Ų | 147 | 87.2 Ų | 87.2 | 72% | 0.724 | 45% | 0.445 | S | S | * | . | 0 | -48.8 | 0 | -75.8 | -65.6 | -89.9 | 0 | 0 | 113 | K3 L4 V5 F65 I69 | M1-K3 PolarHBondContact O-N 3.26Å; M1-K3 VanDerWaalsContact O-N 3.15Å; M1-L4 WeakPolarHBondContact O-CB 3.3Å; M1-L4 PolarHBondContact O-N 2.98Å; M1-L4 HydrophobicContact SD-CD1 3.7Å; M1-V5 PolarHBondContact O-N 2.91Å; M1-F65 HydrophobicContact CB-CE1 4.06Å; M1-F65 HydrophobicContact CE-CD1 4.05Å; M1-F65 HydrophobicContact CE-CE1 3.87Å; M1-F65 HydrophobicContact CG-CE1 4.34Å; M1-I69 HydrophobicContact CB-CD1 4.43Å | |||
| 2 | E | 84.6 | Confident | 85.3 | Confident | 79 Ų | 79 | 85.3 Ų | 85.3 | 37% | 0.369 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -50.5 | -41.2 | 176 | -68.2 | 166.5 | -137.8 | 0 | 0 | 113.3 | L4 V5 L6 I69 R72 | E2-L4 PolarHBondContact O-N 3.32Å; E2-V5 WeakPolarHBondContact O-CB 3.33Å; E2-V5 PolarHBondContact O-N 3.08Å; E2-L6 WeakPolarHBondContact O-CG 3.2Å; E2-L6 PolarHBondContact O-N 3.42Å; E2-I69 HydrophobicContact CB-CG2 4.41Å; E2-I69 HydrophobicContact CG-CD1 4.4Å; E2-I69 HydrophobicContact CG-CG2 3.88Å; E2-R72 IonicContact OE1-CZ 3.31Å; E2-R72 IonicContact OE1-NH1 2.79Å; E2-R72 IonicContact OE1-NH2 2.74Å; E2-R72 PolarHBondContact OE1-NH2 2.93Å; E2-R72 IonicContact OE2-NH2 2.6Å; E2-R72 PolarHBondContact OE2-NH2 2.89Å |
| 3 | K | 86.8 | Confident | 85.7 | Confident | 173 Ų | 173 | 87.6 Ų | 87.6 | 75% | 0.752 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -51.3 | -40.5 | 173.6 | -64.8 | -176.1 | -179.8 | -179.9 | 0 | 112.6 | M1 L6 T7 | M1-K3 PolarHBondContact O-N 3.26Å; M1-K3 VanDerWaalsContact O-N 3.15Å; K3-L6 PolarHBondContact O-N 3.03Å; K3-T7 WeakPolarHBondContact O-CB 3.39Å; K3-T7 VanDerWaalsContact O-CG2 3.23Å; K3-T7 WeakPolarHBondContact O-CG2 3.49Å; K3-T7 PolarHBondContact O-N 2.83Å; K3-T7 PolarHBondContact O-OG1 2.54Å; K3-T7 VanDerWaalsContact O-OG1 3.13Å |
| 4 | L | 87.4 | Confident | 86 | Confident | 105 Ų | 105 | 84.4 Ų | 84.4 | 55% | 0.55 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67.1 | -38.8 | 179.3 | -64.7 | 177 | 0 | 0 | 0 | 112.3 | M1 E2 T7 | M1-L4 WeakPolarHBondContact O-CB 3.3Å; M1-L4 PolarHBondContact O-N 2.98Å; M1-L4 HydrophobicContact SD-CD1 3.7Å; E2-L4 PolarHBondContact O-N 3.32Å; L4-T7 VanDerWaalsContact C-OG1 3.27Å; L4-T7 VanDerWaalsContact CA-OG1 3.26Å; L4-T7 WeakPolarHBondContact CA-OG1 3.26Å; L4-T7 PolarHBondContact O-OG1 3.42Å |
| 5 | V | 87.8 | Confident | 86.3 | Confident | 11 Ų | 11 | 81.3 Ų | 81.3 | 7% | 0.067 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -65.9 | -44.4 | 175.3 | -176.1 | 0 | 0 | 0 | 0 | 109.9 | M1 E2 T7 K8 E66 I69 L70 | M1-V5 PolarHBondContact O-N 2.91Å; E2-V5 WeakPolarHBondContact O-CB 3.33Å; E2-V5 PolarHBondContact O-N 3.08Å; V5-T7 PolarHBondContact O-N 2.94Å; V5-K8 WeakPolarHBondContact O-CB 3.5Å; V5-K8 PolarHBondContact O-N 3.44Å; V5-E66 HydrophobicContact CG2-CB 4.07Å; V5-E66 HydrophobicContact CG2-CG 3.84Å; V5-I69 HydrophobicContact CB-CG2 4.34Å; V5-I69 HydrophobicContact CG1-CG2 4.46Å; V5-I69 HydrophobicContact CG2-CB 4.34Å; V5-I69 HydrophobicContact CG2-CD1 3.82Å; V5-I69 HydrophobicContact CG2-CG2 4.2Å; V5-L70 HydrophobicContact CG1-CD1 4.41Å; V5-L70 HydrophobicContact CG1-CD2 3.59Å; V5-L70 HydrophobicContact CG1-CG 3.78Å |
| 6 | L | 86.4 | Confident | 86.2 | Confident | 37 Ų | 37 | 81.6 Ų | 81.6 | 19% | 0.194 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -70.5 | -29.1 | -179.3 | -64 | 169.6 | 0 | 0 | 0 | 112.9 | E2 K3 K8 G9 L73 V90 I92 | E2-L6 WeakPolarHBondContact O-CG 3.2Å; E2-L6 PolarHBondContact O-N 3.42Å; K3-L6 PolarHBondContact O-N 3.03Å; L6-K8 PolarHBondContact O-N 3.35Å; L6-G9 PolarHBondContact O-N 2.7Å; L6-L73 HydrophobicContact CD2-CD1 4.04Å; L6-V90 HydrophobicContact CD2-CG1 4.12Å; L6-V90 WeakPolarHBondContact O-CG2 3.31Å; L6-I92 HydrophobicContact CD1-CD1 3.45Å; L6-I92 VanDerWaalsContact CD1-CD1 3.45Å; L6-I92 HydrophobicContact CD1-CG1 4.36Å; L6-I92 HydrophobicContact CD2-CD1 4.12Å; L6-I92 HydrophobicContact CG-CD1 4.43Å |
| 7 | T | 86.9 | Confident | 86.1 | Confident | 103 Ų | 103 | 84.2 Ų | 84.2 | 63% | 0.632 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -66.5 | -19 | 175.6 | 45.4 | 0 | 0 | 0 | 0 | 113.5 | K3 L4 V5 G9 | K3-T7 WeakPolarHBondContact O-CB 3.39Å; K3-T7 VanDerWaalsContact O-CG2 3.23Å; K3-T7 WeakPolarHBondContact O-CG2 3.49Å; K3-T7 PolarHBondContact O-N 2.83Å; K3-T7 PolarHBondContact O-OG1 2.54Å; K3-T7 VanDerWaalsContact O-OG1 3.13Å; L4-T7 VanDerWaalsContact C-OG1 3.27Å; L4-T7 VanDerWaalsContact CA-OG1 3.26Å; L4-T7 WeakPolarHBondContact CA-OG1 3.26Å; L4-T7 PolarHBondContact O-OG1 3.42Å; V5-T7 PolarHBondContact O-N 2.94Å; T7-G9 PolarHBondContact O-N 3.13Å |
| 8 | K | 86.4 | Confident | 86 | Confident | 68 Ų | 68 | 91.7 Ų | 91.7 | 30% | 0.296 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -20.3 | 170.8 | -62.5 | -177.4 | 169.2 | -177.1 | 0 | 112.1 | V5 L6 Y12 E66 | V5-K8 WeakPolarHBondContact O-CB 3.5Å; V5-K8 PolarHBondContact O-N 3.44Å; L6-K8 PolarHBondContact O-N 3.35Å; K8-Y12 HydrophobicContact CB-CD1 4.18Å; K8-Y12 HydrophobicContact CB-CD2 4.05Å; K8-Y12 HydrophobicContact CB-CG 3.75Å; K8-Y12 HydrophobicContact CD-CD1 3.93Å; K8-Y12 HydrophobicContact CD-CD2 4.05Å; K8-Y12 HydrophobicContact CD-CE1 3.72Å; K8-Y12 HydrophobicContact CD-CE2 3.85Å; K8-Y12 HydrophobicContact CD-CG 4.07Å; K8-Y12 HydrophobicContact CG-CD2 4.49Å; K8-Y12 HydrophobicContact CG-CG 4.49Å; K8-Y12 PolarHBondContact NZ-OH 3.25Å; K8-E66 WeakPolarHBondContact CE-OE1 3.22Å; K8-E66 IonicContact NZ-OE1 3.28Å; K8-E66 PolarHBondContact NZ-OE1 3.11Å; K8-E66 IonicContact NZ-OE2 3.37Å; K8-E66 PolarHBondContact NZ-OE2 3.3Å |
| 9 | G | 85.6 | Confident | 85.8 | Confident | 13 Ų | 13 | 89.9 Ų | 89.9 | 13% | 0.134 | 45% | 0.453 | C | S | . | . | trans | 82.6 | 168.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | L6 T7 N11 Y12 | L6-G9 PolarHBondContact O-N 2.7Å; T7-G9 PolarHBondContact O-N 3.13Å; G9-N11 VanDerWaalsContact C-N 3.26Å; G9-N11 PolarHBondContact O-N 2.9Å; G9-Y12 WeakPolarHBondContact O-CB 3.31Å; G9-Y12 PolarHBondContact O-N 2.94Å | ||
| 10 | L | 85.3 | Confident | 86 | Confident | 88 Ų | 88 | 88.3 Ų | 88.3 | 46% | 0.461 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -14.5 | -178.5 | -70.1 | 174.2 | 0 | 0 | 0 | 114.2 | Y12 T81 K83 V90 | L10-Y12 VanDerWaalsContact C-N 3.25Å; L10-T81 HydrophobicContact CD2-CG2 4.05Å; L10-K83 HydrophobicContact CD1-CB 3.82Å; L10-K83 HydrophobicContact CD1-CG 4.47Å; L10-V90 HydrophobicContact CD2-CG1 4.18Å; L10-V90 HydrophobicContact CD2-CG2 4.44Å; L10-V90 HydrophobicContact CG-CG1 4.34Å; L10-V90 HydrophobicContact CG-CG2 3.99Å |
| 11 | N | 86.3 | Confident | 86.1 | Confident | 135 Ų | 135 | 88.7 Ų | 88.7 | 72% | 0.722 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -6.9 | 174.9 | -64.9 | -17.9 | 0 | 0 | 0 | 112.3 | G9 V13 | G9-N11 VanDerWaalsContact C-N 3.26Å; G9-N11 PolarHBondContact O-N 2.9Å; N11-V13 PolarHBondContact O-N 2.61Å |
| 12 | Y | 88.1 | Confident | 87 | Confident | 64 Ų | 64 | 88.5 Ų | 88.5 | 25% | 0.251 | 45% | 0.454 | S | S | . | . | trans | -75.3 | 117.7 | 176.4 | -178.2 | -99.4 | 0 | 0 | 0 | 110 | K8 G9 L10 P14 N61 S62 | K8-Y12 HydrophobicContact CB-CD1 4.18Å; K8-Y12 HydrophobicContact CB-CD2 4.05Å; K8-Y12 HydrophobicContact CB-CG 3.75Å; K8-Y12 HydrophobicContact CD-CD1 3.93Å; K8-Y12 HydrophobicContact CD-CD2 4.05Å; K8-Y12 HydrophobicContact CD-CE1 3.72Å; K8-Y12 HydrophobicContact CD-CE2 3.85Å; K8-Y12 HydrophobicContact CD-CG 4.07Å; K8-Y12 HydrophobicContact CG-CD2 4.49Å; K8-Y12 HydrophobicContact CG-CG 4.49Å; K8-Y12 PolarHBondContact NZ-OH 3.25Å; G9-Y12 WeakPolarHBondContact O-CB 3.31Å; G9-Y12 PolarHBondContact O-N 2.94Å; L10-Y12 VanDerWaalsContact C-N 3.25Å; Y12-P14 HydrophobicContact CD1-CG 4.35Å; Y12-P14 HydrophobicContact CE1-CG 4.26Å; Y12-P14 WeakPolarHBondContact O-CD 3.5Å; Y12-N61 PolarHBondContact OH-ND2 3.34Å; Y12-N61 PolarHBondContact OH-O 3.06Å; Y12-N61 PolarHBondContact OH-OD1 2.79Å; Y12-S62 VanDerWaalsContact CE1-OG 3.3Å; Y12-S62 WeakPolarHBondContact CE1-OG 3.38Å; Y12-S62 PolarHBondContact OH-OG 3.41Å | ||
| 13 | V | 89.4 | Confident | 87.5 | Confident | 116 Ų | 116 | 89 Ų | 89 | 70% | 0.703 | 46% | 0.46 | S | S | * | . | trans | -102.6 | 111.9 | 179.1 | -176.5 | 0 | 0 | 0 | 0 | 109.1 | N11 T15 N61 | N11-V13 PolarHBondContact O-N 2.61Å; V13-T15 PolarHBondContact O-N 3.31Å; V13-N61 PolarHBondContact O-ND2 3.25Å | ||
| 14 | P | 89.9 | Confident | 87.7 | Confident | 43 Ų | 43 | 83 Ų | 83 | 28% | 0.279 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 133.2 | 175.3 | -21 | 33.1 | 0 | 0 | 0 | 111.2 | Y12 T16 F67 L70 | Y12-P14 HydrophobicContact CD1-CG 4.35Å; Y12-P14 HydrophobicContact CE1-CG 4.26Å; Y12-P14 WeakPolarHBondContact O-CD 3.5Å; P14-T16 PolarHBondContact O-N 3.48Å; P14-F67 HydrophobicContact CB-CE1 3.63Å; P14-F67 HydrophobicContact CB-CZ 3.97Å; P14-L70 HydrophobicContact CG-CD1 3.74Å |
| 15 | T | 90.7 | Very high | 88 | Confident | 38 Ų | 38 | 81 Ų | 81 | 23% | 0.233 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 127.6 | 177 | -52.3 | 0 | 0 | 0 | 0 | 109.9 | V13 P58 K59 N61 F67 | V13-T15 PolarHBondContact O-N 3.31Å; T15-P58 HydrophobicContact CG2-CB 3.91Å; T15-K59 PolarHBondContact OG1-O 3.23Å; T15-N61 PolarHBondContact N-OD1 3.14Å; T15-N61 PolarHBondContact OG1-OD1 3.47Å; T15-F67 WeakPolarHBondContact O-CZ 3.21Å |
| 16 | T | 85.3 | Confident | 88.4 | Confident | 86 Ų | 86 | 89.3 Ų | 89.3 | 53% | 0.528 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 136.3 | 177.4 | 52.8 | 0 | 0 | 0 | 0 | 110.9 | P14 R18 Y56 | P14-T16 PolarHBondContact O-N 3.48Å; T16-R18 VanDerWaalsContact C-N 3.26Å; T16-R18 PolarHBondContact O-N 3.36Å; T16-Y56 PolarHBondContact O-OH 3.13Å |
| 17 | K | 83.6 | Confident | 88.8 | Confident | 125 Ų | 125 | 92.8 Ų | 92.8 | 54% | 0.543 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -71.6 | -21.8 | 177.8 | -65.5 | -174.6 | 179.4 | -177.1 | 0 | 113.6 | L60 | K17-L60 HydrophobicContact CG-CD2 4.17Š|
| 18 | R | 84.1 | Confident | 89.2 | Confident | 219 Ų | 219 | 89.5 Ų | 89.5 | 83% | 0.826 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -137.5 | 139.9 | -176.3 | -61.7 | -177.7 | -178.8 | -178.8 | -0.8 | 108.7 | T16 | T16-R18 VanDerWaalsContact C-N 3.26Å; T16-R18 PolarHBondContact O-N 3.36Å |
| 19 | V | 83.9 | Confident | 89.6 | Confident | 58 Ų | 58 | 89.9 Ų | 89.9 | 35% | 0.352 | 46% | 0.461 | S | S | . | . | trans | -85.6 | 132 | 168.4 | -179.5 | 0 | 0 | 0 | 0 | 107.9 | I21 Y56 | V19-I21 PolarHBondContact O-N 3.2Å; V19-Y56 HydrophobicContact CG2-CD1 3.84Å; V19-Y56 HydrophobicContact CG2-CD2 3.47Å; V19-Y56 VanDerWaalsContact CG2-CD2 3.47Å; V19-Y56 HydrophobicContact CG2-CE1 3.73Å; V19-Y56 HydrophobicContact CG2-CE2 3.37Å; V19-Y56 HydrophobicContact CG2-CG 3.7Å; V19-Y56 VanDerWaalsContact CG2-CZ 3.47Å | ||
| 20 | S | 88.7 | Confident | 90.1 | Very high | 58 Ų | 58 | 92.8 Ų | 92.8 | 41% | 0.406 | 48% | 0.484 | S | S | . | . | trans | -79.9 | 87.5 | 173.2 | -177 | 0 | 0 | 0 | 0 | 109.4 | L22 N23 T24 | S20-L22 PolarHBondContact O-N 3.46Å; S20-N23 PolarHBondContact O-N 3.21Å; S20-N23 VanDerWaalsContact O-N 3.13Å; S20-N23 WeakPolarHBondContact OG-CB 3.5Å; S20-N23 VanDerWaalsContact OG-CG 3.31Å; S20-N23 PolarHBondContact OG-ND2 3.23Å; S20-N23 VanDerWaalsContact OG-ND2 3.11Å; S20-T24 PolarHBondContact O-N 2.89Å; S20-T24 PolarHBondContact O-OG1 2.85Å | ||
| 21 | I | 89.2 | Confident | 90.5 | Very high | 96 Ų | 96 | 92.1 Ų | 92.1 | 49% | 0.492 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -53.8 | -45 | -179 | -62.2 | 173 | 0 | 0 | 0 | 110.6 | V19 N23 T24 V25 L51 | V19-I21 PolarHBondContact O-N 3.2Å; I21-N23 PolarHBondContact O-N 3.3Å; I21-T24 WeakPolarHBondContact O-CB 3.34Å; I21-T24 PolarHBondContact O-N 3.01Å; I21-T24 VanDerWaalsContact O-N 3.15Å; I21-V25 HydrophobicContact CG2-CG2 4.21Å; I21-V25 WeakPolarHBondContact O-CG2 3.49Å; I21-V25 PolarHBondContact O-N 3.16Å; I21-L51 HydrophobicContact CG2-CD1 4.32Å |
| 22 | L | 91.2 | Very high | 90.9 | Very high | 144 Ų | 144 | 86.3 Ų | 86.3 | 75% | 0.754 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -58.6 | -44.4 | 178.8 | -67.5 | 176 | 0 | 0 | 0 | 112.9 | S20 T24 V25 R26 | S20-L22 PolarHBondContact O-N 3.46Å; L22-T24 VanDerWaalsContact C-N 3.34Å; L22-V25 PolarHBondContact O-N 3.26Å; L22-R26 VanDerWaalsContact O-CB 3.25Å; L22-R26 WeakPolarHBondContact O-CB 3.35Å; L22-R26 PolarHBondContact O-N 3.19Å |
| 23 | N | 93.9 | Very high | 91.1 | Very high | 89 Ų | 89 | 91.1 Ų | 91.1 | 48% | 0.476 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.7 | -38.3 | 177.3 | -74.9 | -21.3 | 0 | 0 | 0 | 111.4 | S20 I21 R26 N27 | S20-N23 PolarHBondContact O-N 3.21Å; S20-N23 VanDerWaalsContact O-N 3.13Å; S20-N23 WeakPolarHBondContact OG-CB 3.5Å; S20-N23 VanDerWaalsContact OG-CG 3.31Å; S20-N23 PolarHBondContact OG-ND2 3.23Å; S20-N23 VanDerWaalsContact OG-ND2 3.11Å; I21-N23 PolarHBondContact O-N 3.3Å; N23-R26 PolarHBondContact O-N 3.43Å; N23-N27 VanDerWaalsContact O-CB 3.31Å; N23-N27 WeakPolarHBondContact O-CB 3.32Å; N23-N27 PolarHBondContact O-N 3.45Å; N23-N27 PolarHBondContact O-ND2 3.23Å |
| 24 | T | 91.7 | Very high | 91.1 | Very high | 47 Ų | 47 | 95.3 Ų | 95.3 | 29% | 0.288 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.6 | -51.6 | 175.1 | -56.7 | 0 | 0 | 0 | 0 | 110.9 | S20 I21 L22 R26 N27 V28 | S20-T24 PolarHBondContact O-N 2.89Å; S20-T24 PolarHBondContact O-OG1 2.85Å; I21-T24 WeakPolarHBondContact O-CB 3.34Å; I21-T24 PolarHBondContact O-N 3.01Å; I21-T24 VanDerWaalsContact O-N 3.15Å; L22-T24 VanDerWaalsContact C-N 3.34Å; T24-R26 PolarHBondContact O-N 3.07Å; T24-N27 PolarHBondContact O-N 3.18Å; T24-V28 HydrophobicContact CG2-CG2 4.45Å; T24-V28 WeakPolarHBondContact O-CB 3.37Å; T24-V28 VanDerWaalsContact O-CG2 3.29Å; T24-V28 WeakPolarHBondContact O-CG2 3.5Å; T24-V28 PolarHBondContact O-N 2.83Å |
| 25 | V | 93.2 | Very high | 91.3 | Very high | 63 Ų | 63 | 96.7 Ų | 96.7 | 38% | 0.382 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.3 | -47.7 | 177.8 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | I21 L22 N27 V28 E29 L51 | I21-V25 HydrophobicContact CG2-CG2 4.21Å; I21-V25 WeakPolarHBondContact O-CG2 3.49Å; I21-V25 PolarHBondContact O-N 3.16Å; L22-V25 PolarHBondContact O-N 3.26Å; V25-N27 VanDerWaalsContact C-N 3.33Å; V25-N27 PolarHBondContact O-N 3.24Å; V25-V28 PolarHBondContact O-N 3.16Å; V25-E29 HydrophobicContact CG1-CG 4.25Å; V25-E29 WeakPolarHBondContact O-CB 3.46Å; V25-E29 WeakPolarHBondContact O-CG 3.46Å; V25-E29 PolarHBondContact O-N 2.92Å; V25-L51 HydrophobicContact CG2-CD1 4.42Å |
| 26 | R | 95.9 | Very high | 91.5 | Very high | 186 Ų | 186 | 99.5 Ų | 99.5 | 70% | 0.702 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -56.5 | -45.5 | 177.2 | -178.9 | -179.4 | -179.7 | 161.2 | 3.4 | 112.4 | L22 N23 T24 A30 | L22-R26 VanDerWaalsContact O-CB 3.25Å; L22-R26 WeakPolarHBondContact O-CB 3.35Å; L22-R26 PolarHBondContact O-N 3.19Å; N23-R26 PolarHBondContact O-N 3.43Å; T24-R26 PolarHBondContact O-N 3.07Å; R26-A30 VanDerWaalsContact O-CB 3.3Å; R26-A30 WeakPolarHBondContact O-CB 3.09Å; R26-A30 PolarHBondContact O-N 3.34Å |
| 27 | N | 95.7 | Very high | 92 | Very high | 110 Ų | 110 | 100.2 Ų | 100.2 | 59% | 0.588 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.5 | -39.7 | -179.3 | -70.6 | -19.4 | 0 | 0 | 0 | 111.7 | N23 T24 V25 A31 | N23-N27 VanDerWaalsContact O-CB 3.31Å; N23-N27 WeakPolarHBondContact O-CB 3.32Å; N23-N27 PolarHBondContact O-N 3.45Å; N23-N27 PolarHBondContact O-ND2 3.23Å; T24-N27 PolarHBondContact O-N 3.18Å; V25-N27 VanDerWaalsContact C-N 3.33Å; V25-N27 PolarHBondContact O-N 3.24Å; N27-A31 PolarHBondContact O-N 3.23Å; N27-A31 VanDerWaalsContact O-N 3.12Å |
| 28 | V | 95.2 | Very high | 92.5 | Very high | 34 Ų | 34 | 98.9 Ų | 98.9 | 21% | 0.206 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -64.1 | -50.9 | 175.8 | 170.9 | 0 | 0 | 0 | 0 | 110 | T24 V25 A30 A31 L32 V47 | T24-V28 HydrophobicContact CG2-CG2 4.45Å; T24-V28 WeakPolarHBondContact O-CB 3.37Å; T24-V28 VanDerWaalsContact O-CG2 3.29Å; T24-V28 WeakPolarHBondContact O-CG2 3.5Å; T24-V28 PolarHBondContact O-N 2.83Å; V25-V28 PolarHBondContact O-N 3.16Å; V28-A30 VanDerWaalsContact C-N 3.32Å; V28-A30 PolarHBondContact O-N 3.06Å; V28-A31 CarbonylContact O-C 3.48Å; V28-A31 WeakPolarHBondContact O-CA 3.35Å; V28-A31 WeakPolarHBondContact O-CB 3.43Å; V28-A31 PolarHBondContact O-N 2.86Å; V28-L32 HydrophobicContact CG1-CD1 3.75Å; V28-L32 HydrophobicContact CG1-CG 4.11Å; V28-L32 VanDerWaalsContact O-CG 3.31Å; V28-L32 WeakPolarHBondContact O-CG 3.49Å; V28-L32 PolarHBondContact O-N 3.41Å; V28-V47 HydrophobicContact CG1-CG2 4.42Å; V28-V47 HydrophobicContact CG2-CG1 4.47Å |
| 29 | E | 95.3 | Very high | 93 | Very high | 75 Ų | 75 | 94.3 Ų | 94.3 | 35% | 0.35 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.6 | -40.4 | 178.9 | -71.3 | -55 | 147.6 | 0 | 0 | 112.6 | V25 A31 L32 H33 R44 | V25-E29 HydrophobicContact CG1-CG 4.25Å; V25-E29 WeakPolarHBondContact O-CB 3.46Å; V25-E29 WeakPolarHBondContact O-CG 3.46Å; V25-E29 PolarHBondContact O-N 2.92Å; E29-A31 PolarHBondContact O-N 3.33Å; E29-L32 PolarHBondContact O-N 3.06Å; E29-H33 PolarHBondContact O-N 3.39Å; E29-H33 VanDerWaalsContact O-N 3.15Å; E29-R44 VanDerWaalsContact OE1-CD 3.26Å; E29-R44 WeakPolarHBondContact OE1-CD 3.45Å; E29-R44 WeakPolarHBondContact OE1-CG 3.49Å; E29-R44 IonicContact OE1-NE 3.53Å; E29-R44 PolarHBondContact OE1-NE 2.87Å; E29-R44 IonicContact OE2-NE 2.73Å; E29-R44 PolarHBondContact OE2-NE 3.3Å |
| 30 | A | 95.5 | Very high | 93.6 | Very high | 74 Ų | 74 | 91.6 Ų | 91.6 | 61% | 0.612 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.2 | -34.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R26 V28 | R26-A30 VanDerWaalsContact O-CB 3.3Å; R26-A30 WeakPolarHBondContact O-CB 3.09Å; R26-A30 PolarHBondContact O-N 3.34Å; V28-A30 VanDerWaalsContact C-N 3.32Å; V28-A30 PolarHBondContact O-N 3.06Å |
| 31 | A | 94.2 | Very high | 94 | Very high | 75 Ų | 75 | 92.1 Ų | 92.1 | 62% | 0.62 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -76.3 | -33 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N27 V28 E29 | N27-A31 PolarHBondContact O-N 3.23Å; N27-A31 VanDerWaalsContact O-N 3.12Å; V28-A31 CarbonylContact O-C 3.48Å; V28-A31 WeakPolarHBondContact O-CA 3.35Å; V28-A31 WeakPolarHBondContact O-CB 3.43Å; V28-A31 PolarHBondContact O-N 2.86Å; E29-A31 PolarHBondContact O-N 3.33Å |
| 32 | L | 94.8 | Very high | 94.4 | Very high | 13 Ų | 13 | 94.2 Ų | 94.2 | 7% | 0.068 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -76.5 | -19.3 | -178.2 | -69 | -177.4 | 0 | 0 | 0 | 114.1 | V28 E29 K34 L35 A40 I43 R44 | V28-L32 HydrophobicContact CG1-CD1 3.75Å; V28-L32 HydrophobicContact CG1-CG 4.11Å; V28-L32 VanDerWaalsContact O-CG 3.31Å; V28-L32 WeakPolarHBondContact O-CG 3.49Å; V28-L32 PolarHBondContact O-N 3.41Å; E29-L32 PolarHBondContact O-N 3.06Å; L32-K34 PolarHBondContact O-N 2.87Å; L32-L35 HydrophobicContact CD2-CD2 4.11Å; L32-L35 PolarHBondContact O-N 3.38Å; L32-A40 HydrophobicContact CB-CB 4.2Å; L32-A40 HydrophobicContact CD1-CB 4.32Å; L32-A40 HydrophobicContact CD2-CB 4.29Å; L32-I43 HydrophobicContact CD1-CB 4.43Å; L32-I43 HydrophobicContact CD1-CG2 4.29Å; L32-I43 HydrophobicContact CD2-CB 4.05Å; L32-I43 HydrophobicContact CD2-CD1 3.68Å; L32-I43 HydrophobicContact CD2-CG1 4.47Å; L32-I43 HydrophobicContact CD2-CG2 4Å; L32-R44 HydrophobicContact CD1-CG 3.59Å |
| 33 | H | 91.2 | Very high | 94.6 | Very high | 165 Ų | 165 | 90.7 Ų | 90.7 | 76% | 0.764 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -25.6 | -179.1 | -176.8 | -68.4 | 0 | 0 | 0 | 114.8 | E29 | E29-H33 PolarHBondContact O-N 3.39Å; E29-H33 VanDerWaalsContact O-N 3.15Å |
| 34 | K | 90.9 | Very high | 94.7 | Very high | 203 Ų | 203 | 89.2 Ų | 89.2 | 88% | 0.883 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -1.5 | -178.4 | -64 | -177 | -179.9 | -179.3 | 0 | 114.1 | L32 | L32-K34 PolarHBondContact O-N 2.87Š|
| 35 | L | 93.5 | Very high | 94.9 | Very high | 73 Ų | 73 | 90.5 Ų | 90.5 | 38% | 0.382 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -98.3 | 157.9 | -173.9 | -165 | 60.6 | 0 | 0 | 0 | 110.8 | L32 K39 I43 | L32-L35 HydrophobicContact CD2-CD2 4.11Å; L32-L35 PolarHBondContact O-N 3.38Å; L35-K39 HydrophobicContact CD1-CD 4.33Å; L35-K39 HydrophobicContact CD2-CB 3.73Å; L35-K39 HydrophobicContact CG-CB 3.94Å; L35-I43 HydrophobicContact CD2-CD1 3.66Å |
| 36 | D | 95 | Very high | 95 | Very high | 97 Ų | 97 | 90 Ų | 90 | 52% | 0.519 | 47% | 0.471 | S | S | . | . | trans | -58.2 | 139.6 | 168.7 | 177.2 | 73 | 0 | 0 | 0 | 111.2 | C38 K39 A40 | D36-C38 VanDerWaalsContact C-N 3.27Å; D36-C38 PolarHBondContact O-N 3.35Å; D36-C38 VanDerWaalsContact OD2-CB 3.32Å; D36-C38 WeakPolarHBondContact OD2-CB 3.29Å; D36-C38 PolarHBondContact OD2-N 3.02Å; D36-K39 PolarHBondContact O-N 3.13Å; D36-A40 WeakPolarHBondContact O-CB 3.4Å; D36-A40 PolarHBondContact O-N 3.28Å | ||
| 37 | E | 94.6 | Very high | 94.9 | Very high | 100 Ų | 100 | 83 Ų | 83 | 47% | 0.467 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.1 | -29.6 | -170.5 | -175 | 54.6 | -153.6 | 0 | 0 | 112.6 | N41 R44 | E37-N41 WeakPolarHBondContact O-CB 3.38Å; E37-N41 PolarHBondContact O-N 3.33Å; E37-N41 PolarHBondContact O-ND2 2.95Å; E37-N41 PolarHBondContact OE1-ND2 3.42Å; E37-R44 IonicContact OE1-CZ 3.05Å; E37-R44 IonicContact OE1-NH1 3.89Å; E37-R44 PolarHBondContact OE1-NH1 2.87Å; E37-R44 IonicContact OE1-NH2 3.69Å; E37-R44 PolarHBondContact OE1-NH2 3.36Å; E37-R44 IonicContact OE2-CZ 2.8Å; E37-R44 IonicContact OE2-NH1 3.5Å; E37-R44 IonicContact OE2-NH2 2.75Å; E37-R44 PolarHBondContact OE2-NH2 2.99Å |
| 38 | C | 94.8 | Very high | 94.7 | Very high | 98 Ų | 98 | 80.4 Ų | 80.4 | 66% | 0.662 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -67.5 | -46.8 | 175.8 | -65.7 | 0 | 0 | 0 | 0 | 111 | D36 N41 E42 | D36-C38 VanDerWaalsContact C-N 3.27Å; D36-C38 PolarHBondContact O-N 3.35Å; D36-C38 VanDerWaalsContact OD2-CB 3.32Å; D36-C38 WeakPolarHBondContact OD2-CB 3.29Å; D36-C38 PolarHBondContact OD2-N 3.02Å; C38-N41 PolarHBondContact O-N 2.87Å; C38-E42 PolarHBondContact O-N 3.04Å |
| 39 | K | 95.7 | Very high | 94.6 | Very high | 123 Ų | 123 | 83.6 Ų | 83.6 | 54% | 0.535 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -67.9 | -37.5 | 177.1 | -67 | -178.2 | -179.7 | 177.1 | 0 | 112 | L35 D36 N41 E42 I43 | L35-K39 HydrophobicContact CD1-CD 4.33Å; L35-K39 HydrophobicContact CD2-CB 3.73Å; L35-K39 HydrophobicContact CG-CB 3.94Å; D36-K39 PolarHBondContact O-N 3.13Å; K39-N41 VanDerWaalsContact C-N 3.34Å; K39-E42 PolarHBondContact O-N 2.87Å; K39-I43 WeakPolarHBondContact O-CG1 3.37Å; K39-I43 PolarHBondContact O-N 2.89Å |
| 40 | A | 96.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 84.6 Ų | 84.6 | 0% | 0 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L32 D36 E42 I43 R44 | L32-A40 HydrophobicContact CB-CB 4.2Å; L32-A40 HydrophobicContact CD1-CB 4.32Å; L32-A40 HydrophobicContact CD2-CB 4.29Å; D36-A40 WeakPolarHBondContact O-CB 3.4Å; D36-A40 PolarHBondContact O-N 3.28Å; A40-E42 PolarHBondContact O-N 3.41Å; A40-I43 PolarHBondContact O-N 3.39Å; A40-R44 WeakPolarHBondContact O-CG 3.37Å; A40-R44 PolarHBondContact O-N 2.84Å |
| 41 | N | 96.4 | Very high | 94 | Very high | 70 Ų | 70 | 83.6 Ų | 83.6 | 37% | 0.374 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 175.1 | -82.9 | -50.6 | 0 | 0 | 0 | 112.9 | E37 C38 K39 I43 R44 C45 | E37-N41 WeakPolarHBondContact O-CB 3.38Å; E37-N41 PolarHBondContact O-N 3.33Å; E37-N41 PolarHBondContact O-ND2 2.95Å; E37-N41 PolarHBondContact OE1-ND2 3.42Å; C38-N41 PolarHBondContact O-N 2.87Å; K39-N41 VanDerWaalsContact C-N 3.34Å; N41-I43 VanDerWaalsContact C-N 3.32Å; N41-I43 PolarHBondContact O-N 2.86Å; N41-R44 PolarHBondContact O-N 3.45Å; N41-R44 PolarHBondContact OD1-NH1 3.22Å; N41-C45 WeakPolarHBondContact O-CB 3.37Å; N41-C45 PolarHBondContact O-N 3.12Å; N41-C45 PolarHBondContact O-SG 3Å; N41-C45 VanDerWaalsContact O-SG 3.38Å |
| 42 | E | 96.7 | Very high | 93.7 | Very high | 140 Ų | 140 | 86 Ų | 86 | 65% | 0.654 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -57.6 | -45.3 | 175.7 | -171.3 | -178.1 | -179.9 | 0 | 0 | 111.7 | C38 K39 A40 C45 A46 | C38-E42 PolarHBondContact O-N 3.04Å; K39-E42 PolarHBondContact O-N 2.87Å; A40-E42 PolarHBondContact O-N 3.41Å; E42-C45 PolarHBondContact O-N 3.04Å; E42-A46 WeakPolarHBondContact O-CB 3.14Å; E42-A46 PolarHBondContact O-N 2.97Å |
| 43 | I | 96.4 | Very high | 93.1 | Very high | 69 Ų | 69 | 89.6 Ų | 89.6 | 35% | 0.354 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.8 | -42.8 | 176.6 | -64.5 | 166.4 | 0 | 0 | 0 | 111.2 | L32 L35 K39 A40 N41 C45 A46 V47 | L32-I43 HydrophobicContact CD1-CB 4.43Å; L32-I43 HydrophobicContact CD1-CG2 4.29Å; L32-I43 HydrophobicContact CD2-CB 4.05Å; L32-I43 HydrophobicContact CD2-CD1 3.68Å; L32-I43 HydrophobicContact CD2-CG1 4.47Å; L32-I43 HydrophobicContact CD2-CG2 4Å; L35-I43 HydrophobicContact CD2-CD1 3.66Å; K39-I43 WeakPolarHBondContact O-CG1 3.37Å; K39-I43 PolarHBondContact O-N 2.89Å; A40-I43 PolarHBondContact O-N 3.39Å; N41-I43 VanDerWaalsContact C-N 3.32Å; N41-I43 PolarHBondContact O-N 2.86Å; I43-C45 VanDerWaalsContact C-N 3.33Å; I43-C45 PolarHBondContact O-N 2.7Å; I43-A46 PolarHBondContact O-N 3.43Å; I43-V47 HydrophobicContact CG2-CG2 4.13Å; I43-V47 WeakPolarHBondContact O-CB 3.37Å; I43-V47 VanDerWaalsContact O-CG2 3.31Å; I43-V47 WeakPolarHBondContact O-CG2 3.38Å; I43-V47 PolarHBondContact O-N 3.48Å |
| 44 | R | 95.9 | Very high | 92.4 | Very high | 59 Ų | 59 | 88.2 Ų | 88.2 | 22% | 0.223 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -58 | -47.1 | 175.9 | -70.4 | -179.2 | -155.9 | 117.2 | 0.8 | 110.8 | E29 L32 E37 A40 N41 V47 S48 | E29-R44 VanDerWaalsContact OE1-CD 3.26Å; E29-R44 WeakPolarHBondContact OE1-CD 3.45Å; E29-R44 WeakPolarHBondContact OE1-CG 3.49Å; E29-R44 IonicContact OE1-NE 3.53Å; E29-R44 PolarHBondContact OE1-NE 2.87Å; E29-R44 IonicContact OE2-NE 2.73Å; E29-R44 PolarHBondContact OE2-NE 3.3Å; L32-R44 HydrophobicContact CD1-CG 3.59Å; E37-R44 IonicContact OE1-CZ 3.05Å; E37-R44 IonicContact OE1-NH1 3.89Å; E37-R44 PolarHBondContact OE1-NH1 2.87Å; E37-R44 IonicContact OE1-NH2 3.69Å; E37-R44 PolarHBondContact OE1-NH2 3.36Å; E37-R44 IonicContact OE2-CZ 2.8Å; E37-R44 IonicContact OE2-NH1 3.5Å; E37-R44 IonicContact OE2-NH2 2.75Å; E37-R44 PolarHBondContact OE2-NH2 2.99Å; A40-R44 WeakPolarHBondContact O-CG 3.37Å; A40-R44 PolarHBondContact O-N 2.84Å; N41-R44 PolarHBondContact O-N 3.45Å; N41-R44 PolarHBondContact OD1-NH1 3.22Å; R44-V47 PolarHBondContact O-N 3.44Å; R44-S48 WeakPolarHBondContact O-CB 3.41Å; R44-S48 PolarHBondContact O-N 2.96Å |
| 45 | C | 95.2 | Very high | 91.7 | Very high | 73 Ų | 73 | 85 Ų | 85 | 49% | 0.493 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60 | -47.3 | 175.9 | -72.8 | 0 | 0 | 0 | 0 | 111.3 | N41 E42 I43 V47 S48 N49 | N41-C45 WeakPolarHBondContact O-CB 3.37Å; N41-C45 PolarHBondContact O-N 3.12Å; N41-C45 PolarHBondContact O-SG 3Å; N41-C45 VanDerWaalsContact O-SG 3.38Å; E42-C45 PolarHBondContact O-N 3.04Å; I43-C45 VanDerWaalsContact C-N 3.33Å; I43-C45 PolarHBondContact O-N 2.7Å; C45-V47 PolarHBondContact O-N 3.24Å; C45-S48 PolarHBondContact O-N 3.46Å; C45-N49 VanDerWaalsContact O-CB 3.28Å; C45-N49 WeakPolarHBondContact O-CB 3.49Å; C45-N49 PolarHBondContact O-N 3.2Å; C45-N49 PolarHBondContact O-ND2 3.46Å |
| 46 | A | 94.9 | Very high | 91.2 | Very high | 52 Ų | 52 | 86.1 Ų | 86.1 | 43% | 0.43 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.1 | -46.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E42 I43 N49 V50 | E42-A46 WeakPolarHBondContact O-CB 3.14Å; E42-A46 PolarHBondContact O-N 2.97Å; I43-A46 PolarHBondContact O-N 3.43Å; A46-N49 PolarHBondContact O-N 2.88Å; A46-V50 WeakPolarHBondContact O-CG2 3.45Å; A46-V50 PolarHBondContact O-N 3.36Å |
| 47 | V | 93.9 | Very high | 90.6 | Very high | 40 Ų | 40 | 89.4 Ų | 89.4 | 24% | 0.242 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -65.2 | -45 | 178.2 | 172 | 0 | 0 | 0 | 0 | 110.9 | V28 I43 R44 C45 N49 V50 L51 | V28-V47 HydrophobicContact CG1-CG2 4.42Å; V28-V47 HydrophobicContact CG2-CG1 4.47Å; I43-V47 HydrophobicContact CG2-CG2 4.13Å; I43-V47 WeakPolarHBondContact O-CB 3.37Å; I43-V47 VanDerWaalsContact O-CG2 3.31Å; I43-V47 WeakPolarHBondContact O-CG2 3.38Å; I43-V47 PolarHBondContact O-N 3.48Å; R44-V47 PolarHBondContact O-N 3.44Å; C45-V47 PolarHBondContact O-N 3.24Å; V47-N49 VanDerWaalsContact C-N 3.33Å; V47-N49 PolarHBondContact O-N 3.05Å; V47-V50 PolarHBondContact O-N 3.34Å; V47-L51 HydrophobicContact CG1-CD1 3.76Å; V47-L51 HydrophobicContact CG1-CG 4.26Å; V47-L51 WeakPolarHBondContact O-CB 3.5Å; V47-L51 VanDerWaalsContact O-CG 3.27Å; V47-L51 WeakPolarHBondContact O-CG 3.47Å; V47-L51 PolarHBondContact O-N 2.95Å |
| 48 | S | 92.6 | Very high | 90.1 | Very high | 55 Ų | 55 | 86.3 Ų | 86.3 | 39% | 0.385 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.2 | -45.9 | 176.5 | -172.6 | 0 | 0 | 0 | 0 | 111 | R44 C45 V50 L51 L52 | R44-S48 WeakPolarHBondContact O-CB 3.41Å; R44-S48 PolarHBondContact O-N 2.96Å; C45-S48 PolarHBondContact O-N 3.46Å; S48-V50 PolarHBondContact O-N 3.17Å; S48-L51 PolarHBondContact O-N 3.06Å; S48-L52 WeakPolarHBondContact O-CB 3.18Å; S48-L52 VanDerWaalsContact O-CG 3.25Å; S48-L52 WeakPolarHBondContact O-CG 3.43Å; S48-L52 PolarHBondContact O-N 3.26Å |
| 49 | N | 93.2 | Very high | 89.8 | Confident | 102 Ų | 102 | 90.9 Ų | 90.9 | 55% | 0.545 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58.4 | -47.5 | 176.2 | -72.9 | -16.6 | 0 | 0 | 0 | 111.1 | C45 A46 V47 L51 L52 S53 | C45-N49 VanDerWaalsContact O-CB 3.28Å; C45-N49 WeakPolarHBondContact O-CB 3.49Å; C45-N49 PolarHBondContact O-N 3.2Å; C45-N49 PolarHBondContact O-ND2 3.46Å; A46-N49 PolarHBondContact O-N 2.88Å; V47-N49 VanDerWaalsContact C-N 3.33Å; V47-N49 PolarHBondContact O-N 3.05Å; N49-L51 PolarHBondContact O-N 2.94Å; N49-L52 PolarHBondContact O-N 3.23Å; N49-S53 WeakPolarHBondContact O-CA 3.49Å; N49-S53 WeakPolarHBondContact O-CB 3.37Å; N49-S53 PolarHBondContact O-N 3.05Å; N49-S53 PolarHBondContact O-OG 3.18Å |
| 50 | V | 90.9 | Very high | 89.4 | Confident | 95 Ų | 95 | 88.8 Ų | 88.8 | 58% | 0.576 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -61.6 | -42.6 | 177.3 | 170.4 | 0 | 0 | 0 | 0 | 112.1 | A46 V47 S48 L52 Q54 | A46-V50 WeakPolarHBondContact O-CG2 3.45Å; A46-V50 PolarHBondContact O-N 3.36Å; V47-V50 PolarHBondContact O-N 3.34Å; S48-V50 PolarHBondContact O-N 3.17Å; V50-L52 VanDerWaalsContact C-N 3.35Å; V50-Q54 VanDerWaalsContact O-CB 3.24Å; V50-Q54 WeakPolarHBondContact O-CB 3.46Å; V50-Q54 PolarHBondContact O-N 2.87Å |
| 51 | L | 87.8 | Confident | 89.2 | Confident | 54 Ų | 54 | 91.9 Ų | 91.9 | 28% | 0.283 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69 | -32.5 | -179.2 | -70.3 | 173.1 | 0 | 0 | 0 | 112.8 | I21 V25 V47 S48 N49 | I21-L51 HydrophobicContact CG2-CD1 4.32Å; V25-L51 HydrophobicContact CG2-CD1 4.42Å; V47-L51 HydrophobicContact CG1-CD1 3.76Å; V47-L51 HydrophobicContact CG1-CG 4.26Å; V47-L51 WeakPolarHBondContact O-CB 3.5Å; V47-L51 VanDerWaalsContact O-CG 3.27Å; V47-L51 WeakPolarHBondContact O-CG 3.47Å; V47-L51 PolarHBondContact O-N 2.95Å; S48-L51 PolarHBondContact O-N 3.06Å; N49-L51 PolarHBondContact O-N 2.94Å |
| 52 | L | 86.3 | Confident | 88.8 | Confident | 125 Ų | 125 | 88.9 Ų | 88.9 | 65% | 0.654 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -87.9 | -38.8 | -179.7 | -66.8 | 174.1 | 0 | 0 | 0 | 112.7 | S48 N49 V50 | S48-L52 WeakPolarHBondContact O-CB 3.18Å; S48-L52 VanDerWaalsContact O-CG 3.25Å; S48-L52 WeakPolarHBondContact O-CG 3.43Å; S48-L52 PolarHBondContact O-N 3.26Å; N49-L52 PolarHBondContact O-N 3.23Å; V50-L52 VanDerWaalsContact C-N 3.35Å |
| 53 | S | 83 | Confident | 88.5 | Confident | 88 Ų | 88 | 85.6 Ų | 85.6 | 62% | 0.615 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -75.6 | -35.4 | -176.3 | 74.4 | 0 | 0 | 0 | 0 | 112.1 | N49 | N49-S53 WeakPolarHBondContact O-CA 3.49Å; N49-S53 WeakPolarHBondContact O-CB 3.37Å; N49-S53 PolarHBondContact O-N 3.05Å; N49-S53 PolarHBondContact O-OG 3.18Å |
| 54 | Q | 76.6 | Confident | 88.2 | Confident | 137 Ų | 137 | 87 Ų | 87 | 64% | 0.64 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -95.8 | 103.8 | -173.9 | -159.7 | 79.3 | -14.9 | 0 | 0 | 110.1 | V50 Y56 | V50-Q54 VanDerWaalsContact O-CB 3.24Å; V50-Q54 WeakPolarHBondContact O-CB 3.46Å; V50-Q54 PolarHBondContact O-N 2.87Å; Q54-Y56 PolarHBondContact O-N 3.41Å |
| 55 | M | 76.6 | Confident | 87.9 | Confident | 136 Ų | 136 | 89.2 Ų | 89.2 | 67% | 0.67 | 48% | 0.481 | S | S | * | . | trans | -61 | 113.2 | 165.5 | -72.6 | -66.7 | 102.3 | 0 | 0 | 108.9 | Q57 | M55-Q57 PolarHBondContact O-N 3.03Š| ||
| 56 | Y | 81.6 | Confident | 87.7 | Confident | 96 Ų | 96 | 87.2 Ų | 87.2 | 38% | 0.376 | 46% | 0.464 | S | S | . | . | trans | -66.5 | 104 | -178.7 | -178.7 | -109.8 | 0 | 0 | 0 | 110.6 | T16 V19 Q54 P58 | T16-Y56 PolarHBondContact O-OH 3.13Å; V19-Y56 HydrophobicContact CG2-CD1 3.84Å; V19-Y56 HydrophobicContact CG2-CD2 3.47Å; V19-Y56 VanDerWaalsContact CG2-CD2 3.47Å; V19-Y56 HydrophobicContact CG2-CE1 3.73Å; V19-Y56 HydrophobicContact CG2-CE2 3.37Å; V19-Y56 HydrophobicContact CG2-CG 3.7Å; V19-Y56 VanDerWaalsContact CG2-CZ 3.47Å; Q54-Y56 PolarHBondContact O-N 3.41Å; Y56-P58 HydrophobicContact CD1-CG 4.09Å; Y56-P58 HydrophobicContact CE1-CB 3.72Å; Y56-P58 HydrophobicContact CE1-CG 3.56Å; Y56-P58 HydrophobicContact CE2-CB 4.42Å; Y56-P58 WeakPolarHBondContact O-CD 3.44Å | ||
| 57 | Q | 83.1 | Confident | 87.6 | Confident | 165 Ų | 165 | 86.2 Ų | 86.2 | 77% | 0.771 | 45% | 0.451 | S | S | * | . | trans | -115.4 | 87.4 | 176.9 | -63.7 | -62.9 | -15.6 | 0 | 0 | 109.2 | M55 K59 | M55-Q57 PolarHBondContact O-N 3.03Å; Q57-K59 PolarHBondContact O-N 3.43Å | ||
| 58 | P | 83.5 | Confident | 87.5 | Confident | 36 Ų | 36 | 89.7 Ų | 89.7 | 23% | 0.234 | 46% | 0.464 | C | S | . | . | trans | -71.3 | 129.7 | -175.9 | 26.6 | -31.7 | 0 | 0 | 0 | 111.5 | T15 Y56 L60 | T15-P58 HydrophobicContact CG2-CB 3.91Å; Y56-P58 HydrophobicContact CD1-CG 4.09Å; Y56-P58 HydrophobicContact CE1-CB 3.72Å; Y56-P58 HydrophobicContact CE1-CG 3.56Å; Y56-P58 HydrophobicContact CE2-CB 4.42Å; Y56-P58 WeakPolarHBondContact O-CD 3.44Å; P58-L60 HydrophobicContact CG-CD2 4.46Å; P58-L60 PolarHBondContact O-N 3.5Å | ||
| 59 | K | 88 | Confident | 87.4 | Confident | 193 Ų | 193 | 87.3 Ų | 87.3 | 84% | 0.839 | 45% | 0.447 | S | S | * | . | trans | -73.4 | 105.2 | 162.2 | -171.7 | 174.4 | -178.5 | 176.6 | 0 | 108.7 | T15 Q57 N61 | T15-K59 PolarHBondContact OG1-O 3.23Å; Q57-K59 PolarHBondContact O-N 3.43Å; K59-N61 PolarHBondContact O-N 3.47Å | ||
| 60 | L | 88.6 | Confident | 87.3 | Confident | 79 Ų | 79 | 84.9 Ų | 84.9 | 41% | 0.414 | 43% | 0.433 | S | S | . | . | trans | -66.1 | 126.8 | 178.3 | -59.1 | -179.2 | 0 | 0 | 0 | 109.8 | K17 P58 | K17-L60 HydrophobicContact CG-CD2 4.17Å; P58-L60 HydrophobicContact CG-CD2 4.46Å; P58-L60 PolarHBondContact O-N 3.5Å | ||
| 61 | N | 91.3 | Very high | 87.4 | Confident | 65 Ų | 65 | 84.7 Ų | 84.7 | 35% | 0.348 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -89.9 | -10.8 | 174.4 | 64.8 | -10.2 | 0 | 0 | 0 | 112.8 | Y12 V13 T15 K59 | Y12-N61 PolarHBondContact OH-ND2 3.34Å; Y12-N61 PolarHBondContact OH-O 3.06Å; Y12-N61 PolarHBondContact OH-OD1 2.79Å; V13-N61 PolarHBondContact O-ND2 3.25Å; T15-N61 PolarHBondContact N-OD1 3.14Å; T15-N61 PolarHBondContact OG1-OD1 3.47Å; K59-N61 PolarHBondContact O-N 3.47Å |
| 62 | S | 89 | Confident | 87.7 | Confident | 7 Ų | 7 | 87.8 Ų | 87.8 | 5% | 0.049 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -125.5 | 145.3 | -178.4 | -57.7 | 0 | 0 | 0 | 0 | 111.4 | Y12 E66 | Y12-S62 VanDerWaalsContact CE1-OG 3.3Å; Y12-S62 WeakPolarHBondContact CE1-OG 3.38Å; Y12-S62 PolarHBondContact OH-OG 3.41Å; S62-E66 WeakPolarHBondContact CA-OE2 3.11Å; S62-E66 WeakPolarHBondContact CB-OE2 3.32Å |
| 63 | T | 90.8 | Very high | 87.9 | Confident | 72 Ų | 72 | 82.9 Ų | 82.9 | 44% | 0.442 | 41% | 0.411 | S | S | . | . | trans | -75.7 | 158.8 | 176.2 | 77.2 | 0 | 0 | 0 | 0 | 110.9 | F65 E66 F67 | T63-F65 PolarHBondContact O-N 3Å; T63-E66 PolarHBondContact N-OE2 3.41Å; T63-E66 PolarHBondContact O-N 3.43Å; T63-E66 VanDerWaalsContact O-N 3.11Å; T63-E66 WeakPolarHBondContact OG1-CG 3.31Å; T63-E66 PolarHBondContact OG1-N 3.24Å; T63-F67 WeakPolarHBondContact O-CD2 3.47Å; T63-F67 PolarHBondContact O-N 2.84Å; T63-F67 VanDerWaalsContact O-N 3.1Å | ||
| 64 | P | 88.8 | Confident | 88.3 | Confident | 98 Ų | 98 | 87.1 Ų | 87.1 | 64% | 0.636 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -54.8 | -34.1 | 175.4 | -26.6 | 35.4 | 0 | 0 | 0 | 113.3 | F67 H68 | P64-F67 PolarHBondContact O-N 2.92Å; P64-H68 PolarHBondContact O-N 3Å |
| 65 | F | 90.1 | Very high | 89.1 | Confident | 106 Ų | 106 | 88.2 Ų | 88.2 | 47% | 0.465 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -70.4 | -39.7 | 178.2 | -174.1 | -103.7 | 0 | 0 | 0 | 112.5 | M1 T63 F67 H68 I69 | M1-F65 HydrophobicContact CB-CE1 4.06Å; M1-F65 HydrophobicContact CE-CD1 4.05Å; M1-F65 HydrophobicContact CE-CE1 3.87Å; M1-F65 HydrophobicContact CG-CE1 4.34Å; T63-F65 PolarHBondContact O-N 3Å; F65-F67 VanDerWaalsContact C-N 3.32Å; F65-F67 PolarHBondContact O-N 3.47Å; F65-H68 WeakPolarHBondContact O-CB 3.26Å; F65-H68 PolarHBondContact O-N 3.39Å; F65-H68 VanDerWaalsContact O-N 3.16Å; F65-I69 HydrophobicContact CD1-CD1 3.8Å; F65-I69 HydrophobicContact CE1-CD1 3.42Å; F65-I69 VanDerWaalsContact CE1-CD1 3.42Å; F65-I69 HydrophobicContact CE1-CG1 4.22Å; F65-I69 HydrophobicContact CZ-CD1 4.09Å; F65-I69 HydrophobicContact CZ-CG1 4.5Å; F65-I69 PolarHBondContact O-N 3.1Å |
| 66 | E | 92.1 | Very high | 89.9 | Confident | 30 Ų | 30 | 84.9 Ų | 84.9 | 14% | 0.14 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 174 | -64.2 | -179.1 | 138.3 | 0 | 0 | 111.4 | V5 K8 S62 T63 H68 I69 L70 | V5-E66 HydrophobicContact CG2-CB 4.07Å; V5-E66 HydrophobicContact CG2-CG 3.84Å; K8-E66 WeakPolarHBondContact CE-OE1 3.22Å; K8-E66 IonicContact NZ-OE1 3.28Å; K8-E66 PolarHBondContact NZ-OE1 3.11Å; K8-E66 IonicContact NZ-OE2 3.37Å; K8-E66 PolarHBondContact NZ-OE2 3.3Å; S62-E66 WeakPolarHBondContact CA-OE2 3.11Å; S62-E66 WeakPolarHBondContact CB-OE2 3.32Å; T63-E66 PolarHBondContact N-OE2 3.41Å; T63-E66 PolarHBondContact O-N 3.43Å; T63-E66 VanDerWaalsContact O-N 3.11Å; T63-E66 WeakPolarHBondContact OG1-CG 3.31Å; T63-E66 PolarHBondContact OG1-N 3.24Å; E66-H68 VanDerWaalsContact C-N 3.3Å; E66-H68 PolarHBondContact O-N 3.38Å; E66-I69 PolarHBondContact O-N 2.99Å; E66-L70 WeakPolarHBondContact O-CG 3.47Å; E66-L70 PolarHBondContact O-N 3.32Å |
| 67 | F | 90.9 | Very high | 90.4 | Very high | 32 Ų | 32 | 85.7 Ų | 85.7 | 14% | 0.14 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -60.2 | -40.5 | 172.1 | -83.7 | -69 | 0 | 0 | 0 | 112.3 | P14 T15 T63 P64 F65 L70 N71 | P14-F67 HydrophobicContact CB-CE1 3.63Å; P14-F67 HydrophobicContact CB-CZ 3.97Å; T15-F67 WeakPolarHBondContact O-CZ 3.21Å; T63-F67 WeakPolarHBondContact O-CD2 3.47Å; T63-F67 PolarHBondContact O-N 2.84Å; T63-F67 VanDerWaalsContact O-N 3.1Å; P64-F67 PolarHBondContact O-N 2.92Å; F65-F67 VanDerWaalsContact C-N 3.32Å; F65-F67 PolarHBondContact O-N 3.47Å; F67-L70 PolarHBondContact O-N 3.32Å; F67-N71 VanDerWaalsContact O-CB 3.32Å; F67-N71 WeakPolarHBondContact O-CB 3.28Å; F67-N71 VanDerWaalsContact O-CG 3.22Å; F67-N71 PolarHBondContact O-N 3.03Å; F67-N71 PolarHBondContact O-ND2 3.4Å |
| 68 | H | 92.2 | Very high | 90.8 | Very high | 113 Ų | 113 | 80.5 Ų | 80.5 | 52% | 0.523 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 175.7 | 179.1 | 79.3 | 0 | 0 | 0 | 111.5 | P64 F65 E66 N71 R72 | P64-H68 PolarHBondContact O-N 3Å; F65-H68 WeakPolarHBondContact O-CB 3.26Å; F65-H68 PolarHBondContact O-N 3.39Å; F65-H68 VanDerWaalsContact O-N 3.16Å; E66-H68 VanDerWaalsContact C-N 3.3Å; E66-H68 PolarHBondContact O-N 3.38Å; H68-N71 PolarHBondContact O-N 3.38Å; H68-R72 WeakPolarHBondContact O-CB 3.45Å; H68-R72 PolarHBondContact O-N 2.67Å |
| 69 | I | 91.9 | Very high | 91.2 | Very high | 5 Ų | 5 | 79.7 Ų | 79.7 | 3% | 0.026 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.4 | -49.7 | 175.1 | -69.2 | 168.5 | 0 | 0 | 0 | 111.2 | M1 E2 V5 F65 E66 N71 R72 L73 | M1-I69 HydrophobicContact CB-CD1 4.43Å; E2-I69 HydrophobicContact CB-CG2 4.41Å; E2-I69 HydrophobicContact CG-CD1 4.4Å; E2-I69 HydrophobicContact CG-CG2 3.88Å; V5-I69 HydrophobicContact CB-CG2 4.34Å; V5-I69 HydrophobicContact CG1-CG2 4.46Å; V5-I69 HydrophobicContact CG2-CB 4.34Å; V5-I69 HydrophobicContact CG2-CD1 3.82Å; V5-I69 HydrophobicContact CG2-CG2 4.2Å; F65-I69 HydrophobicContact CD1-CD1 3.8Å; F65-I69 HydrophobicContact CE1-CD1 3.42Å; F65-I69 VanDerWaalsContact CE1-CD1 3.42Å; F65-I69 HydrophobicContact CE1-CG1 4.22Å; F65-I69 HydrophobicContact CZ-CD1 4.09Å; F65-I69 HydrophobicContact CZ-CG1 4.5Å; F65-I69 PolarHBondContact O-N 3.1Å; E66-I69 PolarHBondContact O-N 2.99Å; I69-N71 VanDerWaalsContact C-N 3.33Å; I69-N71 PolarHBondContact O-N 2.87Å; I69-R72 PolarHBondContact O-N 2.73Å; I69-L73 HydrophobicContact CG2-CD1 3.92Å; I69-L73 HydrophobicContact CG2-CG 4.36Å; I69-L73 WeakPolarHBondContact O-CG 3.23Å; I69-L73 PolarHBondContact O-N 2.86Å |
| 70 | L | 91.2 | Very high | 91.2 | Very high | 50 Ų | 50 | 73 Ų | 73 | 26% | 0.262 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.3 | -43 | 179.9 | -71.7 | 175.9 | 0 | 0 | 0 | 111.8 | V5 P14 E66 F67 L73 K74 | V5-L70 HydrophobicContact CG1-CD1 4.41Å; V5-L70 HydrophobicContact CG1-CD2 3.59Å; V5-L70 HydrophobicContact CG1-CG 3.78Å; P14-L70 HydrophobicContact CG-CD1 3.74Å; E66-L70 WeakPolarHBondContact O-CG 3.47Å; E66-L70 PolarHBondContact O-N 3.32Å; F67-L70 PolarHBondContact O-N 3.32Å; L70-L73 PolarHBondContact O-N 3.08Å; L70-K74 VanDerWaalsContact O-CB 3.27Å; L70-K74 WeakPolarHBondContact O-CB 3.48Å; L70-K74 PolarHBondContact O-N 3.19Å |
| 71 | N | 91.6 | Very high | 91.2 | Very high | 91 Ų | 91 | 72 Ų | 72 | 49% | 0.487 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.2 | -45.5 | 176.7 | -74.1 | -19.5 | 0 | 0 | 0 | 110.9 | F67 H68 I69 L73 K74 M75 | F67-N71 VanDerWaalsContact O-CB 3.32Å; F67-N71 WeakPolarHBondContact O-CB 3.28Å; F67-N71 VanDerWaalsContact O-CG 3.22Å; F67-N71 PolarHBondContact O-N 3.03Å; F67-N71 PolarHBondContact O-ND2 3.4Å; H68-N71 PolarHBondContact O-N 3.38Å; I69-N71 VanDerWaalsContact C-N 3.33Å; I69-N71 PolarHBondContact O-N 2.87Å; N71-L73 PolarHBondContact O-N 3.21Å; N71-K74 WeakPolarHBondContact O-CB 3.44Å; N71-K74 PolarHBondContact O-N 3.37Å; N71-K74 VanDerWaalsContact O-N 3.1Å; N71-M75 VanDerWaalsContact O-CG 3.25Å; N71-M75 WeakPolarHBondContact O-CG 3.31Å; N71-M75 PolarHBondContact O-N 2.84Å |
| 72 | R | 93.9 | Very high | 91 | Very high | 119 Ų | 119 | 70.7 Ų | 70.7 | 45% | 0.449 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.3 | -46.5 | 177.9 | -167.7 | -174.3 | 68.3 | 179.2 | 4.6 | 111.7 | E2 H68 I69 K74 M75 D76 | E2-R72 IonicContact OE1-CZ 3.31Å; E2-R72 IonicContact OE1-NH1 2.79Å; E2-R72 IonicContact OE1-NH2 2.74Å; E2-R72 PolarHBondContact OE1-NH2 2.93Å; E2-R72 IonicContact OE2-NH2 2.6Å; E2-R72 PolarHBondContact OE2-NH2 2.89Å; H68-R72 WeakPolarHBondContact O-CB 3.45Å; H68-R72 PolarHBondContact O-N 2.67Å; I69-R72 PolarHBondContact O-N 2.73Å; R72-K74 VanDerWaalsContact C-N 3.28Å; R72-K74 PolarHBondContact O-N 3.3Å; R72-M75 PolarHBondContact O-N 3.41Å; R72-D76 PolarHBondContact O-N 3.25Å; R72-D76 VanDerWaalsContact O-N 3.11Å |
| 73 | L | 91.3 | Very high | 90.9 | Very high | 22 Ų | 22 | 76.3 Ų | 76.3 | 12% | 0.115 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.7 | -32.8 | 175.5 | -68.9 | 174.8 | 0 | 0 | 0 | 112.7 | L6 I69 L70 N71 I79 I92 | L6-L73 HydrophobicContact CD2-CD1 4.04Å; I69-L73 HydrophobicContact CG2-CD1 3.92Å; I69-L73 HydrophobicContact CG2-CG 4.36Å; I69-L73 WeakPolarHBondContact O-CG 3.23Å; I69-L73 PolarHBondContact O-N 2.86Å; L70-L73 PolarHBondContact O-N 3.08Å; N71-L73 PolarHBondContact O-N 3.21Å; L73-I79 HydrophobicContact CD2-CD1 3.73Å; L73-I92 HydrophobicContact CD1-CD1 4.47Å; L73-I92 HydrophobicContact CD2-CD1 4.16Å |
| 74 | K | 90.6 | Very high | 90.5 | Very high | 178 Ų | 178 | 73.6 Ų | 73.6 | 77% | 0.774 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -73.3 | -34.2 | 176.4 | -175.3 | -179.2 | 178.6 | -176.3 | 0 | 112.6 | L70 N71 R72 | L70-K74 VanDerWaalsContact O-CB 3.27Å; L70-K74 WeakPolarHBondContact O-CB 3.48Å; L70-K74 PolarHBondContact O-N 3.19Å; N71-K74 WeakPolarHBondContact O-CB 3.44Å; N71-K74 PolarHBondContact O-N 3.37Å; N71-K74 VanDerWaalsContact O-N 3.1Å; R72-K74 VanDerWaalsContact C-N 3.28Å; R72-K74 PolarHBondContact O-N 3.3Å |
| 75 | M | 93.4 | Very high | 90 | Very high | 159 Ų | 159 | 72.1 Ų | 72.1 | 78% | 0.783 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -78.4 | -24.7 | 179.4 | -64 | -150.7 | 86.2 | 0 | 0 | 112.6 | N71 R72 T77 | N71-M75 VanDerWaalsContact O-CG 3.25Å; N71-M75 WeakPolarHBondContact O-CG 3.31Å; N71-M75 PolarHBondContact O-N 2.84Å; R72-M75 PolarHBondContact O-N 3.41Å; M75-T77 PolarHBondContact O-N 3.5Å; M75-T77 VanDerWaalsContact O-N 3.1Å |
| 76 | D | 94 | Very high | 89.5 | Confident | 66 Ų | 66 | 74.3 Ų | 74.3 | 35% | 0.353 | 37% | 0.373 | S | S | . | . | trans | -70.2 | 105.1 | 176.5 | -171.3 | -10.6 | 0 | 0 | 0 | 111 | R72 S78 I79 | R72-D76 PolarHBondContact O-N 3.25Å; R72-D76 VanDerWaalsContact O-N 3.11Å; D76-S78 VanDerWaalsContact C-N 3.3Å; D76-S78 VanDerWaalsContact OD1-CB 3.27Å; D76-S78 WeakPolarHBondContact OD1-CB 3.45Å; D76-S78 PolarHBondContact OD1-N 3.4Å; D76-S78 PolarHBondContact OD1-OG 2.92Å; D76-S78 PolarHBondContact OD2-OG 3.46Å; D76-I79 HydrophobicContact CB-CD1 3.97Å; D76-I79 HydrophobicContact CB-CG1 3.88Å | ||
| 77 | T | 91.3 | Very high | 88.7 | Confident | 114 Ų | 114 | 75.7 Ų | 75.7 | 70% | 0.699 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -80 | -12 | 179 | 58.1 | 0 | 0 | 0 | 0 | 112.9 | M75 K95 | M75-T77 PolarHBondContact O-N 3.5Å; M75-T77 VanDerWaalsContact O-N 3.1Å; T77-K95 VanDerWaalsContact O-CD 3.3Å; T77-K95 WeakPolarHBondContact O-CD 3.18Å; T77-K95 WeakPolarHBondContact O-CE 3.36Å; T77-K95 PolarHBondContact O-NZ 3Å |
| 78 | S | 92.8 | Very high | 88.1 | Confident | 56 Ų | 56 | 79.6 Ų | 79.6 | 39% | 0.392 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -76.7 | -24.9 | -179.5 | 76 | 0 | 0 | 0 | 0 | 112.6 | D76 K95 | D76-S78 VanDerWaalsContact C-N 3.3Å; D76-S78 VanDerWaalsContact OD1-CB 3.27Å; D76-S78 WeakPolarHBondContact OD1-CB 3.45Å; D76-S78 PolarHBondContact OD1-N 3.4Å; D76-S78 PolarHBondContact OD1-OG 2.92Å; D76-S78 PolarHBondContact OD2-OG 3.46Å; S78-K95 WeakPolarHBondContact O-CB 3.46Å; S78-K95 WeakPolarHBondContact O-CG 3.3Å; S78-K95 PolarHBondContact O-N 3.34Å |
| 79 | I | 91.3 | Very high | 87.7 | Confident | 18 Ų | 18 | 76.5 Ų | 76.5 | 9% | 0.092 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 156.7 | -178.8 | 65.8 | 175.6 | 0 | 0 | 0 | 112.5 | L73 D76 I92 I93 K95 | L73-I79 HydrophobicContact CD2-CD1 3.73Å; D76-I79 HydrophobicContact CB-CD1 3.97Å; D76-I79 HydrophobicContact CB-CG1 3.88Å; I79-I92 HydrophobicContact CB-CG2 3.94Å; I79-I92 HydrophobicContact CD1-CG2 4Å; I79-I92 HydrophobicContact CG1-CG2 4.49Å; I79-I92 HydrophobicContact CG2-CG2 4.14Å; I79-I93 CarbonylContact C-O 3.33Å; I79-I93 WeakPolarHBondContact CA-O 3.36Å; I79-K95 WeakPolarHBondContact O-CE 3.26Å; I79-K95 PolarHBondContact O-NZ 2.86Å |
| 80 | T | 88.5 | Confident | 87.5 | Confident | 52 Ų | 52 | 77.8 Ų | 77.8 | 32% | 0.319 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 131.5 | 167.6 | -52.5 | 0 | 0 | 0 | 0 | 109.3 | T82 I93 K95 | T80-T82 HydrophobicContact CG2-CG2 3.92Å; T80-I93 PolarHBondContact N-O 2.85Å; T80-I93 PolarHBondContact O-N 3.12Å; T80-K95 WeakPolarHBondContact OG1-CE 3.26Å; T80-K95 WeakPolarHBondContact OG1-CG 3.17Å |
| 81 | T | 88.3 | Confident | 87.2 | Confident | 58 Ų | 58 | 76.9 Ų | 76.9 | 36% | 0.356 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 125.8 | 173.6 | -54.1 | 0 | 0 | 0 | 0 | 109.3 | L10 V90 | L10-T81 HydrophobicContact CD2-CG2 4.05Å; T81-V90 HydrophobicContact CG2-CG1 3.3Å |
| 82 | T | 87.2 | Confident | 87.1 | Confident | 38 Ų | 38 | 75.3 Ų | 75.3 | 23% | 0.233 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 159.1 | 179.2 | 60.7 | 0 | 0 | 0 | 0 | 111.5 | T80 V91 | T80-T82 HydrophobicContact CG2-CG2 3.92Å; T82-V91 PolarHBondContact N-O 2.99Å; T82-V91 PolarHBondContact O-N 3.28Å |
| 83 | K | 86.2 | Confident | 86.8 | Confident | 125 Ų | 125 | 70.4 Ų | 70.4 | 54% | 0.543 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 142.3 | 170.1 | -165.4 | 178.2 | 177.2 | 176.6 | 0 | 109.5 | L10 S163 | L10-K83 HydrophobicContact CD1-CB 3.82Å; L10-K83 HydrophobicContact CD1-CG 4.47Å; K83-S163 PolarHBondContact O-OG 3.31Å |
| 84 | A | 83.2 | Confident | 86.7 | Confident | 15 Ų | 15 | 74 Ų | 74 | 12% | 0.124 | 41% | 0.409 | C | S | . | . | trans | -64.8 | 141.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | K86 A89 V91 | A84-K86 WeakPolarHBondContact CB-O 3.32Å; A84-K86 PolarHBondContact O-N 3.15Å; A84-A89 HydrophobicContact CB-CB 3.85Å; A84-A89 WeakPolarHBondContact CB-O 3.37Å; A84-A89 PolarHBondContact N-O 2.89Å; A84-V91 HydrophobicContact CB-CG2 3.77Å | ||
| 85 | D | 78.3 | Confident | 86.5 | Confident | 67 Ų | 67 | 69.8 Ų | 69.8 | 36% | 0.358 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -60.8 | -30.4 | 172.2 | 177.4 | 90.2 | 0 | 0 | 0 | 112.5 | S163 K164 | D85-S163 WeakPolarHBondContact CB-O 3.22Å; D85-K164 HydrophobicContact CB-CD 4.39Å; D85-K164 IonicContact OD1-NZ 3.67Å; D85-K164 PolarHBondContact OD1-NZ 3.17Å; D85-K164 IonicContact OD2-NZ 3.94Å; D85-K164 PolarHBondContact OD2-NZ 3.32Å |
| 86 | K | 78.3 | Confident | 86 | Confident | 152 Ų | 152 | 66.9 Ų | 66.9 | 66% | 0.661 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -132.9 | 136.1 | 176.5 | -67.2 | -174.7 | 178.7 | -176.6 | 0 | 110.5 | A84 | A84-K86 WeakPolarHBondContact CB-O 3.32Å; A84-K86 PolarHBondContact O-N 3.15Å |
| 87 | G | 76 | Confident | 85.4 | Confident | 60 Ų | 60 | 66.5 Ų | 66.5 | 62% | 0.619 | 39% | 0.386 | S | S | * | . | S | Bend | trans | 80.7 | 160.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A89 | G87-A89 PolarHBondContact O-N 2.99Š|
| 88 | N | 78.2 | Confident | 84.9 | Confident | 114 Ų | 114 | 62.2 Ų | 62.2 | 61% | 0.61 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -81.5 | 60.1 | 174.3 | -170.6 | 37.8 | 0 | 0 | 0 | 110.5 | ||
| 89 | A | 83.4 | Confident | 84.2 | Confident | 48 Ų | 48 | 61.7 Ų | 61.7 | 40% | 0.397 | 36% | 0.358 | S | S | . | . | trans | -116.1 | 154.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A84 G87 | A84-A89 HydrophobicContact CB-CB 3.85Å; A84-A89 WeakPolarHBondContact CB-O 3.37Å; A84-A89 PolarHBondContact N-O 2.89Å; G87-A89 PolarHBondContact O-N 2.99Å | ||
| 90 | V | 88 | Confident | 83.7 | Confident | 32 Ų | 32 | 63.2 Ų | 63.2 | 19% | 0.194 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 128.6 | 176.3 | -173.4 | 0 | 0 | 0 | 0 | 108.4 | L6 L10 T81 | L6-V90 HydrophobicContact CD2-CG1 4.12Å; L6-V90 WeakPolarHBondContact O-CG2 3.31Å; L10-V90 HydrophobicContact CD2-CG1 4.18Å; L10-V90 HydrophobicContact CD2-CG2 4.44Å; L10-V90 HydrophobicContact CG-CG1 4.34Å; L10-V90 HydrophobicContact CG-CG2 3.99Å; T81-V90 HydrophobicContact CG2-CG1 3.3Å |
| 91 | V | 86.6 | Confident | 83.1 | Confident | 30 Ų | 30 | 65.5 Ų | 65.5 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 124.1 | 178.9 | -171.1 | 0 | 0 | 0 | 0 | 108.8 | T82 A84 I93 | T82-V91 PolarHBondContact N-O 2.99Å; T82-V91 PolarHBondContact O-N 3.28Å; A84-V91 HydrophobicContact CB-CG2 3.77Å; V91-I93 HydrophobicContact CG1-CD1 4.1Å; V91-I93 HydrophobicContact CG1-CG1 3.66Å |
| 92 | I | 89 | Confident | 82.6 | Confident | 59 Ų | 59 | 64.6 Ų | 64.6 | 30% | 0.303 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 130.4 | 170.5 | -61.3 | 178 | 0 | 0 | 0 | 107.2 | L6 L73 I79 | L6-I92 HydrophobicContact CD1-CD1 3.45Å; L6-I92 VanDerWaalsContact CD1-CD1 3.45Å; L6-I92 HydrophobicContact CD1-CG1 4.36Å; L6-I92 HydrophobicContact CD2-CD1 4.12Å; L6-I92 HydrophobicContact CG-CD1 4.43Å; L73-I92 HydrophobicContact CD1-CD1 4.47Å; L73-I92 HydrophobicContact CD2-CD1 4.16Å; I79-I92 HydrophobicContact CB-CG2 3.94Å; I79-I92 HydrophobicContact CD1-CG2 4Å; I79-I92 HydrophobicContact CG1-CG2 4.49Å; I79-I92 HydrophobicContact CG2-CG2 4.14Å |
| 93 | I | 86.6 | Confident | 82.1 | Confident | 16 Ų | 16 | 70.4 Ų | 70.4 | 8% | 0.082 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 139.5 | -178.8 | -39.3 | 169.1 | 0 | 0 | 0 | 110.6 | I79 T80 V91 I98 | I79-I93 CarbonylContact C-O 3.33Å; I79-I93 WeakPolarHBondContact CA-O 3.36Å; T80-I93 PolarHBondContact N-O 2.85Å; T80-I93 PolarHBondContact O-N 3.12Å; V91-I93 HydrophobicContact CG1-CD1 4.1Å; V91-I93 HydrophobicContact CG1-CG1 3.66Å; I93-I98 HydrophobicContact CB-CD1 3.91Å; I93-I98 HydrophobicContact CD1-CD1 4.13Å; I93-I98 HydrophobicContact CG2-CD1 3.37Å; I93-I98 HydrophobicContact CG2-CG1 4.07Å |
| 94 | D | 88.6 | Confident | 81.5 | Confident | 96 Ų | 96 | 70.7 Ų | 70.7 | 51% | 0.513 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 132 | 172.4 | -58 | -31.6 | 0 | 0 | 0 | 110.9 | P97 | D94-P97 HydrophobicContact CB-CG 3.99Å; D94-P97 WeakPolarHBondContact O-CD 3.41Å |
| 95 | K | 86.6 | Confident | 80.6 | Confident | 90 Ų | 90 | 73.7 Ų | 73.7 | 39% | 0.391 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -69.8 | -36.4 | -179 | -72.1 | 179.4 | -173.2 | 157.2 | 0 | 112.7 | T77 S78 I79 T80 I98 A99 | T77-K95 VanDerWaalsContact O-CD 3.3Å; T77-K95 WeakPolarHBondContact O-CD 3.18Å; T77-K95 WeakPolarHBondContact O-CE 3.36Å; T77-K95 PolarHBondContact O-NZ 3Å; S78-K95 WeakPolarHBondContact O-CB 3.46Å; S78-K95 WeakPolarHBondContact O-CG 3.3Å; S78-K95 PolarHBondContact O-N 3.34Å; I79-K95 WeakPolarHBondContact O-CE 3.26Å; I79-K95 PolarHBondContact O-NZ 2.86Å; T80-K95 WeakPolarHBondContact OG1-CE 3.26Å; T80-K95 WeakPolarHBondContact OG1-CG 3.17Å; K95-I98 PolarHBondContact O-N 3.1Å; K95-A99 WeakPolarHBondContact O-CB 3.28Å; K95-A99 PolarHBondContact O-N 3.37Å |
| 96 | C | 84.7 | Confident | 79.8 | Confident | 98 Ų | 98 | 73.4 Ų | 73.4 | 66% | 0.662 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -54.9 | -56.5 | -174.8 | -67.6 | 0 | 0 | 0 | 0 | 113.9 | I98 A99 A100 | C96-I98 VanDerWaalsContact C-N 3.3Å; C96-I98 PolarHBondContact O-N 2.71Å; C96-A99 PolarHBondContact O-N 3.09Å; C96-A100 PolarHBondContact O-N 3.17Å |
| 97 | P | 81.1 | Confident | 78.7 | Confident | 59 Ų | 59 | 70.8 Ų | 70.8 | 38% | 0.383 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.3 | -33.5 | -179.6 | 24.9 | -34.4 | 0 | 0 | 0 | 112.6 | D94 R101 | D94-P97 HydrophobicContact CB-CG 3.99Å; D94-P97 WeakPolarHBondContact O-CD 3.41Å; P97-R101 WeakPolarHBondContact O-CB 3.25Å; P97-R101 PolarHBondContact O-N 2.93Å |
| 98 | I | 79.3 | Confident | 77.7 | Confident | 23 Ų | 23 | 77.8 Ų | 77.8 | 12% | 0.118 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -64.6 | -49.3 | 175 | -67.6 | 174.5 | 0 | 0 | 0 | 110.4 | I93 K95 C96 A100 R101 L102 C161 | I93-I98 HydrophobicContact CB-CD1 3.91Å; I93-I98 HydrophobicContact CD1-CD1 4.13Å; I93-I98 HydrophobicContact CG2-CD1 3.37Å; I93-I98 HydrophobicContact CG2-CG1 4.07Å; K95-I98 PolarHBondContact O-N 3.1Å; C96-I98 VanDerWaalsContact C-N 3.3Å; C96-I98 PolarHBondContact O-N 2.71Å; I98-A100 VanDerWaalsContact C-N 3.3Å; I98-A100 PolarHBondContact O-N 3.18Å; I98-R101 PolarHBondContact O-N 3.07Å; I98-L102 HydrophobicContact CG2-CD1 3.82Å; I98-L102 HydrophobicContact CG2-CG 4.14Å; I98-L102 WeakPolarHBondContact O-CB 3.34Å; I98-L102 WeakPolarHBondContact O-CG 3.19Å; I98-L102 PolarHBondContact O-N 3.04Å; I98-C161 HydrophobicContact CG2-CB 4.38Å |
| 99 | A | 78.6 | Confident | 76.6 | Confident | 46 Ų | 46 | 80.6 Ų | 80.6 | 38% | 0.38 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61 | -40.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | K95 C96 L102 K103 | K95-A99 WeakPolarHBondContact O-CB 3.28Å; K95-A99 PolarHBondContact O-N 3.37Å; C96-A99 PolarHBondContact O-N 3.09Å; A99-L102 PolarHBondContact O-N 2.89Å; A99-K103 VanDerWaalsContact O-CG 3.3Å; A99-K103 WeakPolarHBondContact O-CG 3.21Å; A99-K103 PolarHBondContact O-N 2.96Å |
| 100 | A | 81.2 | Confident | 75.3 | Confident | 50 Ų | 50 | 83.9 Ų | 83.9 | 41% | 0.413 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62 | -46.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | C96 I98 L102 K103 N104 | C96-A100 PolarHBondContact O-N 3.17Å; I98-A100 VanDerWaalsContact C-N 3.3Å; I98-A100 PolarHBondContact O-N 3.18Å; A100-L102 PolarHBondContact O-N 2.77Å; A100-K103 PolarHBondContact O-N 2.74Å; A100-N104 PolarHBondContact O-N 3.41Å |
| 101 | R | 77 | Confident | 73.6 | Confident | 100 Ų | 100 | 87.8 Ų | 87.8 | 38% | 0.377 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.2 | -40.9 | 177.4 | -169.9 | 174.8 | -176.8 | 155 | 3.5 | 112.3 | P97 I98 N104 C105 D169 | P97-R101 WeakPolarHBondContact O-CB 3.25Å; P97-R101 PolarHBondContact O-N 2.93Å; I98-R101 PolarHBondContact O-N 3.07Å; R101-N104 PolarHBondContact O-N 2.71Å; R101-C105 PolarHBondContact O-N 2.68Å; R101-C105 PolarHBondContact O-SG 3.42Å; R101-D169 PolarHBondContact NH1-O 2.75Å |
| 102 | L | 77 | Confident | 71.8 | Confident | 39 Ų | 39 | 97 Ų | 97 | 20% | 0.204 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 176.9 | -75.2 | 178 | 0 | 0 | 0 | 112.1 | I98 A99 A100 N104 C105 S106 L159 P174 | I98-L102 HydrophobicContact CG2-CD1 3.82Å; I98-L102 HydrophobicContact CG2-CG 4.14Å; I98-L102 WeakPolarHBondContact O-CB 3.34Å; I98-L102 WeakPolarHBondContact O-CG 3.19Å; I98-L102 PolarHBondContact O-N 3.04Å; A99-L102 PolarHBondContact O-N 2.89Å; A100-L102 PolarHBondContact O-N 2.77Å; L102-N104 VanDerWaalsContact C-N 3.32Å; L102-N104 PolarHBondContact O-N 3.47Å; L102-C105 PolarHBondContact O-N 2.88Å; L102-S106 PolarHBondContact O-N 2.83Å; L102-S106 VanDerWaalsContact O-N 3.13Å; L102-L159 HydrophobicContact CD2-CD1 4.36Å; L102-L159 HydrophobicContact CD2-CD2 3.95Å; L102-L159 HydrophobicContact CD2-CG 4.12Å; L102-P174 HydrophobicContact CD2-CB 4.06Å |
| 103 | K | 76.3 | Confident | 70.1 | Confident | 159 Ų | 159 | 100.4 Ų | 100.4 | 69% | 0.691 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.1 | -42.8 | 172.6 | -74 | 175.7 | -178.7 | -175.1 | 0 | 111.4 | A99 A100 S106 | A99-K103 VanDerWaalsContact O-CG 3.3Å; A99-K103 WeakPolarHBondContact O-CG 3.21Å; A99-K103 PolarHBondContact O-N 2.96Å; A100-K103 PolarHBondContact O-N 2.74Å; K103-S106 CarbonylContact O-C 3.44Å; K103-S106 PolarHBondContact O-N 3.44Å |
| 104 | N | 73.3 | Confident | 68 | Low | 132 Ų | 132 | 103 Ų | 103 | 71% | 0.706 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -68.6 | -32.5 | 176.8 | -66.6 | -9.2 | 0 | 0 | 0 | 113.1 | A100 R101 L102 S106 | A100-N104 PolarHBondContact O-N 3.41Å; R101-N104 PolarHBondContact O-N 2.71Å; L102-N104 VanDerWaalsContact C-N 3.32Å; L102-N104 PolarHBondContact O-N 3.47Å; N104-S106 VanDerWaalsContact C-N 3.29Å |
| 105 | C | 64 | Low | 66.3 | Low | 77 Ų | 77 | 105.9 Ų | 105.9 | 52% | 0.52 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.1 | -31 | 174.1 | -72.3 | 0 | 0 | 0 | 0 | 112.4 | R101 L102 A107 | R101-C105 PolarHBondContact O-N 2.68Å; R101-C105 PolarHBondContact O-SG 3.42Å; L102-C105 PolarHBondContact O-N 2.88Å; C105-A107 PolarHBondContact O-N 3.21Å |
| 106 | S | 62.7 | Low | 64.2 | Low | 62 Ų | 62 | 105 Ų | 105 | 43% | 0.434 | 58% | 0.584 | S | S | . | * | trans | -78.3 | 71.6 | 168.8 | -158.5 | 0 | 0 | 0 | 0 | 109 | L102 K103 N104 R108 | L102-S106 PolarHBondContact O-N 2.83Å; L102-S106 VanDerWaalsContact O-N 3.13Å; K103-S106 CarbonylContact O-C 3.44Å; K103-S106 PolarHBondContact O-N 3.44Å; N104-S106 VanDerWaalsContact C-N 3.29Å; S106-R108 CarbonylContact O-C 3.59Å; S106-R108 PolarHBondContact O-N 3.44Å; S106-R108 PolarHBondContact OG-O 2.91Å | ||
| 107 | A | 55.3 | Low | 62.1 | Low | 97 Ų | 97 | 107.4 Ų | 107.4 | 80% | 0.802 | 59% | 0.59 | S | S | * | * | trans | -54.9 | -14.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | C105 | C105-A107 PolarHBondContact O-N 3.21Š| ||
| 108 | R | 55.2 | Low | 60.4 | Low | 207 Ų | 207 | 108.2 Ų | 108.2 | 78% | 0.781 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -112.2 | 124.6 | 166.6 | -60 | -176.2 | -177.8 | -170.7 | -0.9 | 107.1 | S106 | S106-R108 CarbonylContact O-C 3.59Å; S106-R108 PolarHBondContact O-N 3.44Å; S106-R108 PolarHBondContact OG-O 2.91Å |
| 109 | Q | 54.8 | Low | 58.5 | Low | 172 Ų | 172 | 115.2 Ų | 115.2 | 80% | 0.804 | 62% | 0.623 | S | S | * | * | trans | -47.5 | 139.6 | 156.9 | -69.7 | -174.6 | 5 | 0 | 0 | 106.9 | V111 | Q109-V111 VanDerWaalsContact C-N 3.33Å; Q109-V111 PolarHBondContact O-N 2.91Å | ||
| 110 | P | 55.2 | Low | 56.8 | Low | 118 Ų | 118 | 118.3 Ų | 118.3 | 77% | 0.766 | 64% | 0.638 | S | S | * | * | trans | -53.1 | 106.8 | 173.7 | 20.5 | -29.4 | 0 | 0 | 0 | 106.7 | R112 | P110-R112 VanDerWaalsContact C-N 3.28Å; P110-R112 PolarHBondContact O-N 3.21Å | ||
| 111 | V | 52.6 | Low | 55.2 | Low | 114 Ų | 114 | 120.7 Ų | 120.7 | 69% | 0.691 | 65% | 0.648 | S | S | * | * | trans | -63.7 | 104.6 | 173.9 | 176.1 | 0 | 0 | 0 | 0 | 102.8 | Q109 I113 | Q109-V111 VanDerWaalsContact C-N 3.33Å; Q109-V111 PolarHBondContact O-N 2.91Å; V111-I113 VanDerWaalsContact C-N 3.34Å; V111-I113 PolarHBondContact O-N 3.25Å | ||
| 112 | R | 49.3 | Very low | 54.1 | Low | 223 Ų | 223 | 120.7 Ų | 120.7 | 84% | 0.842 | 66% | 0.661 | S | S | * | * | trans | -55 | 111.7 | 164.1 | -136.1 | -177.9 | 178.8 | 108.6 | -1.1 | 103.2 | P110 P114 | P110-R112 VanDerWaalsContact C-N 3.28Å; P110-R112 PolarHBondContact O-N 3.21Å; R112-P114 WeakPolarHBondContact O-CD 3.43Å | ||
| 113 | I | 52.5 | Low | 53.3 | Low | 131 Ų | 131 | 123.7 Ų | 123.7 | 67% | 0.672 | 67% | 0.672 | S | S | * | * | trans | -56.9 | 111.7 | 173 | -60.2 | 174.5 | 0 | 0 | 0 | 103.6 | V111 D115 | V111-I113 VanDerWaalsContact C-N 3.34Å; V111-I113 PolarHBondContact O-N 3.25Å; I113-D115 PolarHBondContact O-N 3.35Å | ||
| 114 | P | 42.3 | Very low | 53.1 | Low | 71 Ų | 71 | 119 Ų | 119 | 46% | 0.461 | 66% | 0.659 | S | S | . | * | trans | -61.4 | 131.9 | -175.1 | -19.5 | 31.7 | 0 | 0 | 0 | 107.6 | R112 G116 L117 | R112-P114 WeakPolarHBondContact O-CD 3.43Å; P114-G116 PolarHBondContact O-N 2.77Å; P114-L117 PolarHBondContact O-N 3.46Å | ||
| 115 | D | 54.2 | Low | 53.2 | Low | 155 Ų | 155 | 115.3 Ų | 115.3 | 83% | 0.829 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -7.9 | -177 | -63.4 | -49.3 | 0 | 0 | 0 | 113.4 | I113 | I113-D115 PolarHBondContact O-N 3.35Š|
| 116 | G | 41.2 | Very low | 53.9 | Low | 71 Ų | 71 | 113.4 Ų | 113.4 | 73% | 0.732 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.3 | -1.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 118 | P114 | P114-G116 PolarHBondContact O-N 2.77Š|
| 117 | L | 40.8 | Very low | 54.9 | Low | 150 Ų | 150 | 114.4 Ų | 114.4 | 79% | 0.785 | 63% | 0.625 | S | S | * | * | trans | -110.2 | 32.5 | 174.6 | -70.8 | 175.1 | 0 | 0 | 0 | 112.1 | P114 E119 | P114-L117 PolarHBondContact O-N 3.46Å; L117-E119 PolarHBondContact O-N 2.91Å; L117-E119 VanDerWaalsContact O-N 3.12Å | ||
| 118 | I | 45.3 | Very low | 56.3 | Low | 76 Ų | 76 | 113.4 Ų | 113.4 | 39% | 0.39 | 61% | 0.606 | S | S | . | * | trans | -78.1 | 94.5 | 174.9 | -62.6 | 172.1 | 0 | 0 | 0 | 106.5 | P122 | I118-P122 HydrophobicContact CG2-CG 4.2Š| ||
| 119 | E | 40 | Very low | 57.7 | Low | 170 Ų | 170 | 103.9 Ų | 103.9 | 79% | 0.794 | 57% | 0.57 | S | S | * | * | trans | -34.1 | 122.9 | 143.4 | -84.6 | -74.6 | 144.1 | 0 | 0 | 107.7 | L117 T121 | L117-E119 PolarHBondContact O-N 2.91Å; L117-E119 VanDerWaalsContact O-N 3.12Å; E119-T121 CarbonylContact O-C 3.58Å; E119-T121 PolarHBondContact O-N 3.24Å | ||
| 120 | P | 43.6 | Very low | 59.2 | Low | 110 Ų | 110 | 96.8 Ų | 96.8 | 71% | 0.714 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -57.6 | 117.2 | -154.8 | 21.1 | -31.5 | 0 | 0 | 0 | 109.8 | ||
| 121 | T | 46.9 | Very low | 60.8 | Low | 101 Ų | 101 | 93 Ų | 93 | 62% | 0.62 | 52% | 0.517 | S | S | * | . | trans | 76.6 | 108.7 | -175.6 | -17.1 | 0 | 0 | 0 | 0 | 113 | E119 K123 | E119-T121 CarbonylContact O-C 3.58Å; E119-T121 PolarHBondContact O-N 3.24Å; T121-K123 PolarHBondContact O-N 3Å | ||
| 122 | P | 53.1 | Low | 62.4 | Low | 99 Ų | 99 | 94.6 Ų | 94.6 | 64% | 0.643 | 51% | 0.512 | S | S | * | . | trans | -64.3 | 90.7 | 150.9 | 17.3 | -2.3 | 0 | 0 | 0 | 103.8 | I118 S124 | I118-P122 HydrophobicContact CG2-CG 4.2Å; P122-S124 PolarHBondContact O-N 2.84Å | ||
| 123 | K | 60.7 | Low | 64.2 | Low | 102 Ų | 102 | 84 Ų | 84 | 44% | 0.443 | 47% | 0.472 | S | S | . | . | trans | -45.5 | 117.7 | 176.5 | -79.6 | 178.1 | 168.1 | -166.6 | 0 | 105.4 | T121 H127 L128 | T121-K123 PolarHBondContact O-N 3Å; K123-H127 HydrophobicContact CB-CB 4.48Å; K123-H127 VanDerWaalsContact CD-CD2 3.49Å; K123-H127 WeakPolarHBondContact CD-CD2 3.29Å; K123-H127 VanDerWaalsContact CG-CD2 3.46Å; K123-H127 WeakPolarHBondContact CG-CD2 3.46Å; K123-L128 HydrophobicContact CB-CD2 3.75Å; K123-L128 HydrophobicContact CB-CG 3.83Å; K123-L128 HydrophobicContact CD-CD2 3.84Å; K123-L128 HydrophobicContact CG-CD2 4.44Å | ||
| 124 | S | 71.9 | Confident | 66 | Low | 60 Ų | 60 | 85 Ų | 85 | 42% | 0.42 | 47% | 0.474 | S | S | . | . | trans | -51.4 | 143.6 | -177.3 | 68.4 | 0 | 0 | 0 | 0 | 107.5 | P122 L126 H127 L128 | P122-S124 PolarHBondContact O-N 2.84Å; S124-L126 CarbonylContact O-C 3.57Å; S124-L126 PolarHBondContact O-N 3.21Å; S124-H127 WeakPolarHBondContact O-CA 3.24Å; S124-H127 WeakPolarHBondContact O-CB 3.5Å; S124-H127 PolarHBondContact O-N 3.27Å; S124-H127 WeakPolarHBondContact OG-CB 3.27Å; S124-H127 PolarHBondContact OG-N 3.24Å; S124-L128 PolarHBondContact O-N 3.35Å | ||
| 125 | P | 76.2 | Confident | 68.4 | Low | 56 Ų | 56 | 89.5 Ų | 89.5 | 36% | 0.364 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -49.8 | -33 | 179.6 | -29.5 | 34.8 | 0 | 0 | 0 | 112.2 | L128 I129 F181 T183 | P125-L128 PolarHBondContact O-N 3.35Å; P125-I129 WeakPolarHBondContact O-CG1 3.49Å; P125-I129 PolarHBondContact O-N 2.91Å; P125-F181 HydrophobicContact CG-CZ 4.44Å; P125-T183 HydrophobicContact CB-CG2 4.27Å |
| 126 | L | 78.9 | Confident | 70 | Confident | 36 Ų | 36 | 85.4 Ų | 85.4 | 19% | 0.188 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -64 | -43.9 | 172.1 | -69.2 | 178.8 | 0 | 0 | 0 | 114.1 | S124 L128 I129 A130 T150 M182 | S124-L126 CarbonylContact O-C 3.57Å; S124-L126 PolarHBondContact O-N 3.21Å; L126-L128 VanDerWaalsContact C-N 3.3Å; L126-L128 PolarHBondContact O-N 2.83Å; L126-I129 PolarHBondContact O-N 3.24Å; L126-A130 PolarHBondContact O-N 2.97Å; L126-T150 HydrophobicContact CD1-CG2 4.34Å; L126-T150 HydrophobicContact CD2-CG2 4.06Å; L126-T150 WeakPolarHBondContact CD2-OG1 3.35Å; L126-M182 HydrophobicContact CD1-CE 3.94Å; L126-M182 HydrophobicContact CD1-SD 3.45Å; L126-M182 WeakPolarHBondContact CD1-SD 3.1Å; L126-M182 HydrophobicContact CD2-CB 4.23Å; L126-M182 HydrophobicContact CD2-SD 4.07Å; L126-M182 HydrophobicContact CG-CB 4.43Å; L126-M182 HydrophobicContact CG-SD 3.5Å; L126-M182 WeakPolarHBondContact CG-SD 3.49Å |
| 127 | H | 82.4 | Confident | 72.2 | Confident | 84 Ų | 84 | 84.9 Ų | 84.9 | 39% | 0.389 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 175.7 | 179.8 | 86.4 | 0 | 0 | 0 | 111.3 | K123 S124 I129 A130 C131 | K123-H127 HydrophobicContact CB-CB 4.48Å; K123-H127 VanDerWaalsContact CD-CD2 3.49Å; K123-H127 WeakPolarHBondContact CD-CD2 3.29Å; K123-H127 VanDerWaalsContact CG-CD2 3.46Å; K123-H127 WeakPolarHBondContact CG-CD2 3.46Å; S124-H127 WeakPolarHBondContact O-CA 3.24Å; S124-H127 WeakPolarHBondContact O-CB 3.5Å; S124-H127 PolarHBondContact O-N 3.27Å; S124-H127 WeakPolarHBondContact OG-CB 3.27Å; S124-H127 PolarHBondContact OG-N 3.24Å; H127-I129 PolarHBondContact O-N 2.83Å; H127-A130 WeakPolarHBondContact O-CB 3.3Å; H127-A130 PolarHBondContact O-N 2.78Å; H127-C131 PolarHBondContact NE2-SG 2.9Å; H127-C131 VanDerWaalsContact NE2-SG 3.41Å; H127-C131 PolarHBondContact O-N 3.15Å; H127-C131 PolarHBondContact O-SG 2.99Å; H127-C131 VanDerWaalsContact O-SG 3.34Å |
| 128 | L | 84.9 | Confident | 74.6 | Confident | 76 Ų | 76 | 79.7 Ų | 79.7 | 40% | 0.398 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 174 | -67.9 | 175.3 | 0 | 0 | 0 | 111.5 | K123 S124 P125 L126 A130 C131 Y132 | K123-L128 HydrophobicContact CB-CD2 3.75Å; K123-L128 HydrophobicContact CB-CG 3.83Å; K123-L128 HydrophobicContact CD-CD2 3.84Å; K123-L128 HydrophobicContact CG-CD2 4.44Å; S124-L128 PolarHBondContact O-N 3.35Å; P125-L128 PolarHBondContact O-N 3.35Å; L126-L128 VanDerWaalsContact C-N 3.3Å; L126-L128 PolarHBondContact O-N 2.83Å; L128-A130 VanDerWaalsContact C-N 3.29Å; L128-A130 PolarHBondContact O-N 3.05Å; L128-C131 PolarHBondContact O-N 3.4Å; L128-Y132 WeakPolarHBondContact O-CD2 3.5Å; L128-Y132 PolarHBondContact O-N 3.48Å |
| 129 | I | 85.2 | Confident | 76.7 | Confident | 7 Ų | 7 | 84.1 Ų | 84.1 | 4% | 0.036 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -60.6 | -40.6 | 175.8 | -63.3 | 167.5 | 0 | 0 | 0 | 110.8 | P125 L126 H127 Y132 G133 I141 I144 T183 L186 | P125-I129 WeakPolarHBondContact O-CG1 3.49Å; P125-I129 PolarHBondContact O-N 2.91Å; L126-I129 PolarHBondContact O-N 3.24Å; H127-I129 PolarHBondContact O-N 2.83Å; I129-Y132 PolarHBondContact O-N 2.79Å; I129-G133 PolarHBondContact O-N 3.01Å; I129-I141 HydrophobicContact CG2-CG2 4Å; I129-I144 HydrophobicContact CG2-CG2 4.35Å; I129-T183 HydrophobicContact CD1-CG2 4.23Å; I129-L186 HydrophobicContact CD1-CD2 4.42Å; I129-L186 HydrophobicContact CG1-CD2 4.04Å |
| 130 | A | 86.2 | Confident | 79 | Confident | 23 Ų | 23 | 83.4 Ų | 83.4 | 19% | 0.19 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61.6 | -50.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L126 H127 L128 Y132 G133 E134 | L126-A130 PolarHBondContact O-N 2.97Å; H127-A130 WeakPolarHBondContact O-CB 3.3Å; H127-A130 PolarHBondContact O-N 2.78Å; L128-A130 VanDerWaalsContact C-N 3.29Å; L128-A130 PolarHBondContact O-N 3.05Å; A130-Y132 VanDerWaalsContact C-N 3.3Å; A130-Y132 PolarHBondContact O-N 2.85Å; A130-G133 WeakPolarHBondContact O-CA 3.31Å; A130-G133 PolarHBondContact O-N 3.49Å; A130-E134 WeakPolarHBondContact O-CG 3.37Å; A130-E134 PolarHBondContact O-N 3.13Å |
| 131 | C | 87.9 | Confident | 81.2 | Confident | 38 Ų | 38 | 79.3 Ų | 79.3 | 26% | 0.257 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -57.3 | -42.9 | 176.1 | -67.3 | 0 | 0 | 0 | 0 | 112 | H127 L128 G133 E134 Q135 | H127-C131 PolarHBondContact NE2-SG 2.9Å; H127-C131 VanDerWaalsContact NE2-SG 3.41Å; H127-C131 PolarHBondContact O-N 3.15Å; H127-C131 PolarHBondContact O-SG 2.99Å; H127-C131 VanDerWaalsContact O-SG 3.34Å; L128-C131 PolarHBondContact O-N 3.4Å; C131-G133 VanDerWaalsContact C-N 3.35Å; C131-E134 PolarHBondContact O-N 3.17Å; C131-Q135 WeakPolarHBondContact O-CB 3.14Å; C131-Q135 PolarHBondContact O-N 3Å |
| 132 | Y | 87.1 | Confident | 83.2 | Confident | 148 Ų | 148 | 77.1 Ų | 77.1 | 58% | 0.58 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -66 | -37.1 | 176 | -81.5 | -63.1 | 0 | 0 | 0 | 112.5 | L128 I129 A130 S136 | L128-Y132 WeakPolarHBondContact O-CD2 3.5Å; L128-Y132 PolarHBondContact O-N 3.48Å; I129-Y132 PolarHBondContact O-N 2.79Å; A130-Y132 VanDerWaalsContact C-N 3.3Å; A130-Y132 PolarHBondContact O-N 2.85Å; Y132-S136 WeakPolarHBondContact O-CB 3.39Å; Y132-S136 PolarHBondContact O-N 2.84Å; Y132-S136 PolarHBondContact O-OG 3.38Å |
| 133 | G | 87.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.1 | -45.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | I129 A130 C131 S136 G137 I141 V142 | I129-G133 PolarHBondContact O-N 3.01Å; A130-G133 WeakPolarHBondContact O-CA 3.31Å; A130-G133 PolarHBondContact O-N 3.49Å; C131-G133 VanDerWaalsContact C-N 3.35Å; G133-S136 PolarHBondContact O-OG 3.12Å; G133-G137 PolarHBondContact O-N 3.27Å; G133-G137 VanDerWaalsContact O-N 3.11Å; G133-I141 VanDerWaalsContact CA-CG2 3.48Å; G133-V142 VanDerWaalsContact C-CG2 3.47Å; G133-V142 WeakPolarHBondContact O-CG2 3.44Å |
| 134 | E | 89.4 | Confident | 86 | Confident | 152 Ų | 152 | 70.5 Ų | 70.5 | 71% | 0.71 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63.5 | -45.8 | 176.5 | -70.8 | 170.4 | -172.1 | 0 | 0 | 111.8 | A130 C131 | A130-E134 WeakPolarHBondContact O-CG 3.37Å; A130-E134 PolarHBondContact O-N 3.13Å; C131-E134 PolarHBondContact O-N 3.17Å |
| 135 | Q | 91.7 | Very high | 86.4 | Confident | 166 Ų | 166 | 68.7 Ų | 68.7 | 78% | 0.776 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -70.4 | -35.1 | -178.6 | -172.2 | 177.8 | -3.2 | 0 | 0 | 113.1 | C131 | C131-Q135 WeakPolarHBondContact O-CB 3.14Å; C131-Q135 PolarHBondContact O-N 3Å |
| 136 | S | 89.2 | Confident | 86.7 | Confident | 69 Ų | 69 | 71.3 Ų | 71.3 | 48% | 0.483 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -81.7 | -20.2 | -179.7 | 61 | 0 | 0 | 0 | 0 | 113.7 | Y132 G133 D138 | Y132-S136 WeakPolarHBondContact O-CB 3.39Å; Y132-S136 PolarHBondContact O-N 2.84Å; Y132-S136 PolarHBondContact O-OG 3.38Å; G133-S136 PolarHBondContact O-OG 3.12Å; S136-D138 PolarHBondContact O-N 3.37Å; S136-D138 PolarHBondContact OG-N 2.8Å |
| 137 | G | 87.4 | Confident | 86.3 | Confident | 60 Ų | 60 | 74.9 Ų | 74.9 | 62% | 0.619 | 39% | 0.394 | S | S | * | . | trans | 68.2 | 7.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114 | G133 Q139 | G133-G137 PolarHBondContact O-N 3.27Å; G133-G137 VanDerWaalsContact O-N 3.11Å; G137-Q139 PolarHBondContact O-N 2.94Å | ||
| 138 | D | 89.8 | Confident | 85.5 | Confident | 41 Ų | 41 | 76 Ų | 76 | 22% | 0.219 | 41% | 0.412 | C | S | . | . | trans | -79.4 | 107.4 | -178.8 | -171 | -28.2 | 0 | 0 | 0 | 110.8 | S136 R140 I141 V142 Y189 | S136-D138 PolarHBondContact O-N 3.37Å; S136-D138 PolarHBondContact OG-N 2.8Å; D138-R140 PolarHBondContact O-N 2.97Å; D138-R140 VanDerWaalsContact O-N 3.13Å; D138-R140 WeakPolarHBondContact OD1-CA 3.44Å; D138-R140 VanDerWaalsContact OD1-CB 3.31Å; D138-R140 WeakPolarHBondContact OD1-CB 3.25Å; D138-R140 PolarHBondContact OD1-N 3.35Å; D138-I141 HydrophobicContact CB-CB 4.22Å; D138-I141 HydrophobicContact CB-CD1 3.88Å; D138-I141 HydrophobicContact CB-CG1 3.89Å; D138-I141 PolarHBondContact O-N 2.74Å; D138-V142 PolarHBondContact O-N 3.23Å; D138-V142 VanDerWaalsContact O-N 3.08Å; D138-Y189 PolarHBondContact OD1-OH 2.78Å; D138-Y189 WeakPolarHBondContact OD2-CE1 3.47Å; D138-Y189 VanDerWaalsContact OD2-CZ 3.25Å; D138-Y189 PolarHBondContact OD2-OH 2.87Å | ||
| 139 | Q | 90.1 | Very high | 84.3 | Confident | 169 Ų | 169 | 76 Ų | 76 | 79% | 0.79 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -57.4 | -28.7 | 179.8 | -64.3 | -174.8 | 8.2 | 0 | 0 | 113.2 | G137 A143 | G137-Q139 PolarHBondContact O-N 2.94Å; Q139-A143 WeakPolarHBondContact O-CB 3.36Å; Q139-A143 PolarHBondContact O-N 3.3Å |
| 140 | R | 88.6 | Confident | 83.2 | Confident | 155 Ų | 155 | 76.8 Ų | 76.8 | 59% | 0.585 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -71.9 | -38.7 | 177.4 | -65.8 | -177.3 | 176.6 | -172.8 | 5.1 | 111.2 | D138 A143 I144 Y189 | D138-R140 PolarHBondContact O-N 2.97Å; D138-R140 VanDerWaalsContact O-N 3.13Å; D138-R140 WeakPolarHBondContact OD1-CA 3.44Å; D138-R140 VanDerWaalsContact OD1-CB 3.31Å; D138-R140 WeakPolarHBondContact OD1-CB 3.25Å; D138-R140 PolarHBondContact OD1-N 3.35Å; R140-A143 PolarHBondContact O-N 3.21Å; R140-I144 WeakPolarHBondContact O-CD1 3.34Å; R140-I144 WeakPolarHBondContact O-CG1 3.43Å; R140-I144 PolarHBondContact O-N 2.96Å; R140-Y189 HydrophobicContact CB-CD2 4.49Å; R140-Y189 HydrophobicContact CB-CE1 4.16Å; R140-Y189 HydrophobicContact CB-CE2 4.12Å; R140-Y189 HydrophobicContact CG-CE2 4.34Å |
| 141 | I | 90.6 | Very high | 82.1 | Confident | 24 Ų | 24 | 78 Ų | 78 | 12% | 0.123 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -67.2 | -43.2 | 176.3 | -59.1 | -179.1 | 0 | 0 | 0 | 110.1 | I129 G133 D138 A143 I144 S145 L186 Y189 | I129-I141 HydrophobicContact CG2-CG2 4Å; G133-I141 VanDerWaalsContact CA-CG2 3.48Å; D138-I141 HydrophobicContact CB-CB 4.22Å; D138-I141 HydrophobicContact CB-CD1 3.88Å; D138-I141 HydrophobicContact CB-CG1 3.89Å; D138-I141 PolarHBondContact O-N 2.74Å; I141-A143 VanDerWaalsContact C-N 3.29Å; I141-A143 PolarHBondContact O-N 2.97Å; I141-I144 PolarHBondContact O-N 3.44Å; I141-I144 VanDerWaalsContact O-N 3.16Å; I141-S145 PolarHBondContact O-N 2.92Å; I141-L186 HydrophobicContact CD1-CD1 4.44Å; I141-L186 HydrophobicContact CG1-CD1 4.15Å; I141-L186 HydrophobicContact CG2-CD1 4.25Å; I141-Y189 HydrophobicContact CD1-CE1 4.22Å; I141-Y189 HydrophobicContact CG1-CD1 4Å; I141-Y189 HydrophobicContact CG1-CE1 3.71Å |
| 142 | V | 87.4 | Confident | 81 | Confident | 54 Ų | 54 | 81.6 Ų | 81.6 | 33% | 0.327 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.1 | -36.7 | 174.1 | 177.8 | 0 | 0 | 0 | 0 | 111.6 | G133 D138 S145 | G133-V142 VanDerWaalsContact C-CG2 3.47Å; G133-V142 WeakPolarHBondContact O-CG2 3.44Å; D138-V142 PolarHBondContact O-N 3.23Å; D138-V142 VanDerWaalsContact O-N 3.08Å; V142-S145 PolarHBondContact O-OG 3.31Å |
| 143 | A | 87.5 | Confident | 80.1 | Confident | 40 Ų | 40 | 80.3 Ų | 80.3 | 33% | 0.331 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66 | -41.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q139 R140 I141 S145 K146 T149 | Q139-A143 WeakPolarHBondContact O-CB 3.36Å; Q139-A143 PolarHBondContact O-N 3.3Å; R140-A143 PolarHBondContact O-N 3.21Å; I141-A143 VanDerWaalsContact C-N 3.29Å; I141-A143 PolarHBondContact O-N 2.97Å; A143-S145 VanDerWaalsContact C-N 3.33Å; A143-S145 PolarHBondContact O-N 3.05Å; A143-K146 WeakPolarHBondContact O-CB 3.46Å; A143-K146 PolarHBondContact O-N 3.11Å; A143-T149 PolarHBondContact O-OG1 2.91Å |
| 144 | I | 85.4 | Confident | 79.3 | Confident | 22 Ų | 22 | 82.5 Ų | 82.5 | 11% | 0.113 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -64.5 | -35.3 | -179.7 | -70.9 | 162.4 | 0 | 0 | 0 | 112.2 | I129 R140 I141 K146 T149 A185 L186 Y189 | I129-I144 HydrophobicContact CG2-CG2 4.35Å; R140-I144 WeakPolarHBondContact O-CD1 3.34Å; R140-I144 WeakPolarHBondContact O-CG1 3.43Å; R140-I144 PolarHBondContact O-N 2.96Å; I141-I144 PolarHBondContact O-N 3.44Å; I141-I144 VanDerWaalsContact O-N 3.16Å; I144-K146 PolarHBondContact O-N 3.41Å; I144-T149 PolarHBondContact O-OG1 3.41Å; I144-A185 HydrophobicContact CG1-CB 4.3Å; I144-A185 HydrophobicContact CG2-CB 3.76Å; I144-L186 HydrophobicContact CG2-CB 4.34Å; I144-Y189 HydrophobicContact CD1-CD1 4.37Å; I144-Y189 HydrophobicContact CD1-CG 4.28Å |
| 145 | S | 81.5 | Confident | 78.8 | Confident | 22 Ų | 22 | 80.2 Ų | 80.2 | 15% | 0.154 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -14.7 | 179.1 | 69.3 | 0 | 0 | 0 | 0 | 113.5 | I141 V142 A143 | I141-S145 PolarHBondContact O-N 2.92Å; V142-S145 PolarHBondContact O-OG 3.31Å; A143-S145 VanDerWaalsContact C-N 3.33Å; A143-S145 PolarHBondContact O-N 3.05Å |
| 146 | K | 81.7 | Confident | 78.2 | Confident | 112 Ų | 112 | 76.9 Ų | 76.9 | 49% | 0.487 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -67 | 141.2 | 179.8 | -65.5 | 179 | -177.9 | -179.5 | 0 | 110.6 | A143 I144 S148 T149 T150 | A143-K146 WeakPolarHBondContact O-CB 3.46Å; A143-K146 PolarHBondContact O-N 3.11Å; I144-K146 PolarHBondContact O-N 3.41Å; K146-S148 PolarHBondContact O-N 3.35Å; K146-T149 PolarHBondContact O-N 3.47Å; K146-T149 PolarHBondContact O-OG1 2.71Å; K146-T150 PolarHBondContact O-N 3.17Å; K146-T150 PolarHBondContact O-OG1 3.38Å |
| 147 | P | 69.8 | Low | 77.9 | Confident | 110 Ų | 110 | 76.6 Ų | 76.6 | 71% | 0.714 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -31.2 | 176.1 | -26 | 34.3 | 0 | 0 | 0 | 113.3 | T149 T150 | P147-T149 VanDerWaalsContact C-N 3.33Å; P147-T149 PolarHBondContact O-N 3.37Å; P147-T150 PolarHBondContact O-N 3.18Å; P147-T150 VanDerWaalsContact O-O 3.09Å |
| 148 | S | 65.9 | Low | 77.8 | Confident | 109 Ų | 109 | 79 Ų | 79 | 76% | 0.762 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -29.9 | -178.1 | 56.7 | 0 | 0 | 0 | 0 | 114.3 | K146 | K146-S148 PolarHBondContact O-N 3.35Š|
| 149 | T | 61 | Low | 77.4 | Confident | 76 Ų | 76 | 81.3 Ų | 81.3 | 47% | 0.466 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -19.2 | 174.8 | 33.2 | 0 | 0 | 0 | 0 | 112.8 | A143 I144 K146 P147 | A143-T149 PolarHBondContact O-OG1 2.91Å; I144-T149 PolarHBondContact O-OG1 3.41Å; K146-T149 PolarHBondContact O-N 3.47Å; K146-T149 PolarHBondContact O-OG1 2.71Å; P147-T149 VanDerWaalsContact C-N 3.33Å; P147-T149 PolarHBondContact O-N 3.37Å |
| 150 | T | 61.6 | Low | 77.1 | Confident | 22 Ų | 22 | 78 Ų | 78 | 14% | 0.135 | 44% | 0.441 | C | S | . | . | S | Bend | trans | -84.3 | 126.2 | -179.4 | -53.4 | 0 | 0 | 0 | 0 | 109.1 | L126 K146 P147 S152 M182 | L126-T150 HydrophobicContact CD1-CG2 4.34Å; L126-T150 HydrophobicContact CD2-CG2 4.06Å; L126-T150 WeakPolarHBondContact CD2-OG1 3.35Å; K146-T150 PolarHBondContact O-N 3.17Å; K146-T150 PolarHBondContact O-OG1 3.38Å; P147-T150 PolarHBondContact O-N 3.18Å; P147-T150 VanDerWaalsContact O-O 3.09Å; T150-S152 PolarHBondContact O-N 2.73Å; T150-S152 VanDerWaalsContact O-N 3.13Å; T150-M182 HydrophobicContact CG2-CE 3.31Å; T150-M182 HydrophobicContact CG2-CG 4.36Å; T150-M182 HydrophobicContact CG2-SD 4.08Å |
| 151 | A | 62.1 | Low | 76.8 | Confident | 48 Ų | 48 | 72 Ų | 72 | 40% | 0.397 | 42% | 0.423 | S | S | . | . | trans | -56.9 | 123.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | N153 S154 | A151-N153 PolarHBondContact O-N 3.46Å; A151-S154 PolarHBondContact O-N 3.36Å; A151-S154 VanDerWaalsContact O-N 3.1Å | ||
| 152 | S | 65.1 | Low | 76.5 | Confident | 114 Ų | 114 | 73.9 Ų | 73.9 | 80% | 0.797 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -26.4 | 173.1 | 65.7 | 0 | 0 | 0 | 0 | 111.8 | T150 | T150-S152 PolarHBondContact O-N 2.73Å; T150-S152 VanDerWaalsContact O-N 3.13Å |
| 153 | N | 69 | Low | 76.3 | Confident | 122 Ų | 122 | 71.5 Ų | 71.5 | 65% | 0.652 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | 50.9 | 179.3 | -55.2 | -32.6 | 0 | 0 | 0 | 111 | A151 K155 | A151-N153 PolarHBondContact O-N 3.46Å; N153-K155 PolarHBondContact O-N 3.29Å |
| 154 | S | 71.6 | Confident | 76 | Confident | 46 Ų | 46 | 71.4 Ų | 71.4 | 32% | 0.322 | 41% | 0.411 | S | S | . | . | trans | -57.1 | 125.6 | 174.9 | 166.9 | 0 | 0 | 0 | 0 | 110.1 | A151 N180 M182 | A151-S154 PolarHBondContact O-N 3.36Å; A151-S154 VanDerWaalsContact O-N 3.1Å; S154-N180 VanDerWaalsContact CA-O 3.3Å; S154-N180 WeakPolarHBondContact CA-O 3.41Å; S154-M182 VanDerWaalsContact CB-CE 3.47Å; S154-M182 WeakPolarHBondContact OG-CG 3.41Å | ||
| 155 | K | 77.5 | Confident | 75.3 | Confident | 104 Ų | 104 | 73.7 Ų | 73.7 | 45% | 0.452 | 44% | 0.439 | S | S | . | . | trans | -105.7 | 135.1 | 178.6 | -64.7 | -172.6 | 178.7 | -174.2 | 0 | 110.2 | N153 N180 F181 | N153-K155 PolarHBondContact O-N 3.29Å; K155-N180 PolarHBondContact N-O 3.13Å; K155-F181 WeakPolarHBondContact O-CA 3.13Å; K155-F181 WeakPolarHBondContact O-CB 3.2Å; K155-F181 WeakPolarHBondContact O-CD2 3.35Å | ||
| 156 | S | 80.4 | Confident | 74.9 | Confident | 95 Ų | 95 | 77.8 Ų | 77.8 | 66% | 0.664 | 46% | 0.456 | S | S | * | . | trans | -59.8 | 148 | 169 | -64.3 | 0 | 0 | 0 | 0 | 110.2 | E158 | S156-E158 PolarHBondContact O-N 2.83Š| ||
| 157 | P | 82.2 | Confident | 74.8 | Confident | 63 Ų | 63 | 77.3 Ų | 77.3 | 41% | 0.409 | 45% | 0.454 | S | S | . | . | trans | -57.1 | 133.1 | 175.8 | -24.2 | 34 | 0 | 0 | 0 | 111.8 | V176 S177 F181 | P157-V176 HydrophobicContact CB-CG1 3.87Å; P157-S177 CarbonylContact C-O 3.57Å; P157-S177 WeakPolarHBondContact CA-O 3.23Å; P157-F181 HydrophobicContact CG-CD1 4.39Å; P157-F181 HydrophobicContact CG-CD2 4.31Å; P157-F181 HydrophobicContact CG-CG 4.17Å | ||
| 158 | E | 84.5 | Confident | 74.8 | Confident | 110 Ų | 110 | 77.6 Ų | 77.6 | 51% | 0.514 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 126.9 | -177.1 | -68.7 | 175.6 | -169.7 | 0 | 0 | 109.9 | S156 V176 S177 | S156-E158 PolarHBondContact O-N 2.83Å; E158-V176 CarbonylContact O-C 3.59Å; E158-V176 WeakPolarHBondContact O-CA 3.4Å; E158-S177 PolarHBondContact N-O 2.84Å; E158-S177 PolarHBondContact O-N 2.75Å |
| 159 | L | 82.7 | Confident | 75.2 | Confident | 91 Ų | 91 | 79.1 Ų | 79.1 | 48% | 0.476 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 119.2 | 171.4 | 178.2 | 64.5 | 0 | 0 | 0 | 109.2 | L102 P174 I175 V176 | L102-L159 HydrophobicContact CD2-CD1 4.36Å; L102-L159 HydrophobicContact CD2-CD2 3.95Å; L102-L159 HydrophobicContact CD2-CG 4.12Å; L159-P174 HydrophobicContact CD1-CB 4.13Å; L159-I175 WeakPolarHBondContact CA-O 3.36Å; L159-V176 HydrophobicContact CD1-CG2 3.77Å |
| 160 | Y | 83.4 | Confident | 75.7 | Confident | 99 Ų | 99 | 78.6 Ų | 78.6 | 39% | 0.388 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 170.9 | 176 | 73.1 | -77.5 | 0 | 0 | 0 | 110.9 | L162 I175 | Y160-L162 HydrophobicContact CD2-CD2 4.36Å; Y160-L162 HydrophobicContact CE2-CD2 3.77Å; Y160-L162 HydrophobicContact CE2-CG 4Å; Y160-I175 HydrophobicContact CD1-CB 4.21Å; Y160-I175 HydrophobicContact CD1-CG2 4.44Å; Y160-I175 WeakPolarHBondContact CD1-O 3.48Å; Y160-I175 HydrophobicContact CE1-CB 3.69Å; Y160-I175 HydrophobicContact CE1-CG2 3.53Å; Y160-I175 HydrophobicContact CE2-CB 4.26Å; Y160-I175 HydrophobicContact CE2-CD1 4.37Å; Y160-I175 PolarHBondContact N-O 2.8Å; Y160-I175 PolarHBondContact O-N 3.18Å; Y160-I175 VanDerWaalsContact O-O 3.12Å |
| 161 | C | 82.6 | Confident | 76.1 | Confident | 29 Ų | 29 | 81.6 Ų | 81.6 | 20% | 0.196 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 135.6 | -176.5 | -82.3 | 0 | 0 | 0 | 0 | 111.3 | I98 R173 | I98-C161 HydrophobicContact CG2-CB 4.38Å; C161-R173 WeakPolarHBondContact CA-O 3.3Å |
| 162 | L | 84 | Confident | 76.8 | Confident | 63 Ų | 63 | 79.5 Ų | 79.5 | 33% | 0.33 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 133.7 | 166 | -69.4 | -172.8 | 0 | 0 | 0 | 110.9 | Y160 S172 R173 I175 | Y160-L162 HydrophobicContact CD2-CD2 4.36Å; Y160-L162 HydrophobicContact CE2-CD2 3.77Å; Y160-L162 HydrophobicContact CE2-CG 4Å; L162-S172 CarbonylContact O-C 3.52Å; L162-S172 WeakPolarHBondContact O-CA 3.39Å; L162-S172 WeakPolarHBondContact O-CB 3.34Å; L162-R173 PolarHBondContact N-O 2.95Å; L162-R173 PolarHBondContact O-N 2.85Å; L162-I175 HydrophobicContact CB-CD1 4.35Å; L162-I175 HydrophobicContact CD1-CD1 3.32Å; L162-I175 HydrophobicContact CG-CD1 3.57Å; L162-I175 HydrophobicContact CG-CG1 4.46Å |
| 163 | S | 82.5 | Confident | 77.6 | Confident | 4 Ų | 4 | 81.2 Ų | 81.2 | 3% | 0.028 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 135.8 | -179.1 | 72.1 | 0 | 0 | 0 | 0 | 111.7 | K83 D85 L171 | K83-S163 PolarHBondContact O-OG 3.31Å; D85-S163 WeakPolarHBondContact CB-O 3.22Å; S163-L171 WeakPolarHBondContact CA-O 3.45Å |
| 164 | K | 80.8 | Confident | 78.3 | Confident | 39 Ų | 39 | 78.1 Ų | 78.1 | 17% | 0.17 | 42% | 0.422 | C | S | . | . | trans | -116.7 | 63.7 | 174.9 | -68 | -64.1 | -174.8 | -168.5 | 0 | 109.9 | D85 H166 K167 I170 L171 R173 | D85-K164 HydrophobicContact CB-CD 4.39Å; D85-K164 IonicContact OD1-NZ 3.67Å; D85-K164 PolarHBondContact OD1-NZ 3.17Å; D85-K164 IonicContact OD2-NZ 3.94Å; D85-K164 PolarHBondContact OD2-NZ 3.32Å; K164-H166 PolarHBondContact O-N 3.31Å; K164-K167 PolarHBondContact O-N 2.74Å; K164-I170 WeakPolarHBondContact CB-O 3.06Å; K164-L171 PolarHBondContact N-O 3.48Å; K164-R173 HydrophobicContact CG-CB 4.47Å | ||
| 165 | G | 71 | Confident | 79 | Confident | 69 Ų | 69 | 77.9 Ų | 77.9 | 71% | 0.711 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -9.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 166 | H | 73.7 | Confident | 79.4 | Confident | 108 Ų | 108 | 77.5 Ų | 77.5 | 50% | 0.5 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | 0.7 | 175.5 | 67.5 | -83.4 | 0 | 0 | 0 | 113.9 | K164 | K164-H166 PolarHBondContact O-N 3.31Š|
| 167 | K | 79 | Confident | 79.7 | Confident | 103 Ų | 103 | 74.4 Ų | 74.4 | 45% | 0.448 | 40% | 0.401 | S | S | . | . | trans | -115.5 | 110 | 177.8 | -65.4 | -168.4 | 177 | -166 | 0 | 109 | K164 D169 I170 | K164-K167 PolarHBondContact O-N 2.74Å; K167-D169 VanDerWaalsContact C-N 3.32Å; K167-D169 PolarHBondContact O-N 3.27Å; K167-I170 HydrophobicContact CB-CB 4.21Å; K167-I170 HydrophobicContact CD-CD1 4.47Å; K167-I170 CarbonylContact O-C 3.53Å; K167-I170 PolarHBondContact O-N 3.2Å | ||
| 168 | P | 70.5 | Confident | 79.8 | Confident | 116 Ų | 116 | 73.9 Ų | 73.9 | 75% | 0.753 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -39.2 | -174.7 | 23 | -32.1 | 0 | 0 | 0 | 112.5 | ||
| 169 | D | 74.3 | Confident | 79.6 | Confident | 141 Ų | 141 | 71.5 Ų | 71.5 | 75% | 0.754 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -13.1 | -175 | -55.2 | -28.4 | 0 | 0 | 0 | 114.1 | R101 K167 | R101-D169 PolarHBondContact NH1-O 2.75Å; K167-D169 VanDerWaalsContact C-N 3.32Å; K167-D169 PolarHBondContact O-N 3.27Å |
| 170 | I | 71.2 | Confident | 79.4 | Confident | 65 Ų | 65 | 71.1 Ų | 71.1 | 33% | 0.333 | 39% | 0.393 | S | S | . | . | trans | -124.6 | 88.5 | -176.5 | -53 | 177.3 | 0 | 0 | 0 | 108.4 | K164 K167 S172 | K164-I170 WeakPolarHBondContact CB-O 3.06Å; K167-I170 HydrophobicContact CB-CB 4.21Å; K167-I170 HydrophobicContact CD-CD1 4.47Å; K167-I170 CarbonylContact O-C 3.53Å; K167-I170 PolarHBondContact O-N 3.2Å; I170-S172 WeakPolarHBondContact CG2-O 3.42Å; I170-S172 PolarHBondContact O-N 3.03Å | ||
| 171 | L | 69.7 | Low | 79.3 | Confident | 84 Ų | 84 | 68.8 Ų | 68.8 | 44% | 0.44 | 39% | 0.385 | S | S | . | . | trans | -60.1 | -34.9 | 176.6 | -66.9 | 172.2 | 0 | 0 | 0 | 112.3 | S163 K164 | S163-L171 WeakPolarHBondContact CA-O 3.45Å; K164-L171 PolarHBondContact N-O 3.48Å | ||
| 172 | S | 76.8 | Confident | 79.1 | Confident | 5 Ų | 5 | 69.9 Ų | 69.9 | 4% | 0.035 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 152.6 | -173.9 | 56 | 0 | 0 | 0 | 0 | 115.9 | L162 I170 | L162-S172 CarbonylContact O-C 3.52Å; L162-S172 WeakPolarHBondContact O-CA 3.39Å; L162-S172 WeakPolarHBondContact O-CB 3.34Å; I170-S172 WeakPolarHBondContact CG2-O 3.42Å; I170-S172 PolarHBondContact O-N 3.03Å |
| 173 | R | 81.9 | Confident | 78.9 | Confident | 150 Ų | 150 | 69 Ų | 69 | 57% | 0.566 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 119.1 | 167.1 | -172.6 | -179.8 | -140.1 | -88.5 | 1.9 | 109 | C161 L162 K164 I175 | C161-R173 WeakPolarHBondContact CA-O 3.3Å; L162-R173 PolarHBondContact N-O 2.95Å; L162-R173 PolarHBondContact O-N 2.85Å; K164-R173 HydrophobicContact CG-CB 4.47Å; R173-I175 HydrophobicContact CG-CG1 4.46Å |
| 174 | P | 85.1 | Confident | 79 | Confident | 57 Ų | 57 | 70 Ų | 70 | 37% | 0.37 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 136.5 | 170.1 | 28.1 | -32.3 | 0 | 0 | 0 | 109.9 | L102 L159 | L102-P174 HydrophobicContact CD2-CB 4.06Å; L159-P174 HydrophobicContact CD1-CB 4.13Å |
| 175 | I | 86 | Confident | 79.3 | Confident | 41 Ų | 41 | 69.9 Ų | 69.9 | 21% | 0.21 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 131.2 | 176.8 | -56.5 | -170.9 | 0 | 0 | 0 | 108.2 | L159 Y160 L162 R173 | L159-I175 WeakPolarHBondContact CA-O 3.36Å; Y160-I175 HydrophobicContact CD1-CB 4.21Å; Y160-I175 HydrophobicContact CD1-CG2 4.44Å; Y160-I175 WeakPolarHBondContact CD1-O 3.48Å; Y160-I175 HydrophobicContact CE1-CB 3.69Å; Y160-I175 HydrophobicContact CE1-CG2 3.53Å; Y160-I175 HydrophobicContact CE2-CB 4.26Å; Y160-I175 HydrophobicContact CE2-CD1 4.37Å; Y160-I175 PolarHBondContact N-O 2.8Å; Y160-I175 PolarHBondContact O-N 3.18Å; Y160-I175 VanDerWaalsContact O-O 3.12Å; L162-I175 HydrophobicContact CB-CD1 4.35Å; L162-I175 HydrophobicContact CD1-CD1 3.32Å; L162-I175 HydrophobicContact CG-CD1 3.57Å; L162-I175 HydrophobicContact CG-CG1 4.46Å; R173-I175 HydrophobicContact CG-CG1 4.46Å |
| 176 | V | 85.9 | Confident | 80.1 | Confident | 96 Ų | 96 | 68.1 Ų | 68.1 | 58% | 0.582 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 111.2 | 168.5 | -178.9 | 0 | 0 | 0 | 0 | 107.4 | P157 E158 L159 | P157-V176 HydrophobicContact CB-CG1 3.87Å; E158-V176 CarbonylContact O-C 3.59Å; E158-V176 WeakPolarHBondContact O-CA 3.4Å; L159-V176 HydrophobicContact CD1-CG2 3.77Å |
| 177 | S | 86.3 | Confident | 80.8 | Confident | 29 Ų | 29 | 66.1 Ų | 66.1 | 20% | 0.203 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 118.4 | 169.1 | -171.1 | 0 | 0 | 0 | 0 | 109.2 | P157 E158 S179 | P157-S177 CarbonylContact C-O 3.57Å; P157-S177 WeakPolarHBondContact CA-O 3.23Å; E158-S177 PolarHBondContact N-O 2.84Å; E158-S177 PolarHBondContact O-N 2.75Å; S177-S179 VanDerWaalsContact C-N 3.3Å; S177-S179 VanDerWaalsContact OG-CB 3.26Å; S177-S179 WeakPolarHBondContact OG-CB 3.38Å; S177-S179 PolarHBondContact OG-N 2.86Å; S177-S179 PolarHBondContact OG-OG 2.87Å |
| 178 | S | 83.1 | Confident | 81.3 | Confident | 52 Ų | 52 | 68.2 Ų | 68.2 | 36% | 0.364 | 38% | 0.38 | S | S | . | . | trans | -98.2 | 25.6 | 165.1 | 53.9 | 0 | 0 | 0 | 0 | 111.6 | N180 F181 | S178-N180 PolarHBondContact O-N 2.76Å; S178-F181 VanDerWaalsContact O-CB 3.28Å; S178-F181 WeakPolarHBondContact O-CB 3.49Å; S178-F181 PolarHBondContact O-N 2.83Å | ||
| 179 | S | 80.9 | Confident | 82.3 | Confident | 60 Ų | 60 | 64.1 Ų | 64.1 | 42% | 0.42 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 129.9 | 177.4 | 57.5 | 0 | 0 | 0 | 0 | 110.9 | S177 F181 | S177-S179 VanDerWaalsContact C-N 3.3Å; S177-S179 VanDerWaalsContact OG-CB 3.26Å; S177-S179 WeakPolarHBondContact OG-CB 3.38Å; S177-S179 PolarHBondContact OG-N 2.86Å; S177-S179 PolarHBondContact OG-OG 2.87Å; S179-F181 PolarHBondContact O-N 3.3Å |
| 180 | N | 79.2 | Confident | 83.1 | Confident | 83 Ų | 83 | 61 Ų | 61 | 44% | 0.444 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 17 | -176.3 | -56.8 | -16 | 0 | 0 | 0 | 114.6 | S154 K155 S178 | S154-N180 VanDerWaalsContact CA-O 3.3Å; S154-N180 WeakPolarHBondContact CA-O 3.41Å; K155-N180 PolarHBondContact N-O 3.13Å; S178-N180 PolarHBondContact O-N 2.76Å |
| 181 | F | 81.8 | Confident | 84 | Confident | 51 Ų | 51 | 60.5 Ų | 60.5 | 22% | 0.224 | 34% | 0.337 | C | S | . | . | trans | -72 | 157.6 | 165.2 | -173.1 | -122.3 | 0 | 0 | 0 | 109.8 | P125 K155 P157 S178 S179 T183 S184 | P125-F181 HydrophobicContact CG-CZ 4.44Å; K155-F181 WeakPolarHBondContact O-CA 3.13Å; K155-F181 WeakPolarHBondContact O-CB 3.2Å; K155-F181 WeakPolarHBondContact O-CD2 3.35Å; P157-F181 HydrophobicContact CG-CD1 4.39Å; P157-F181 HydrophobicContact CG-CD2 4.31Å; P157-F181 HydrophobicContact CG-CG 4.17Å; S178-F181 VanDerWaalsContact O-CB 3.28Å; S178-F181 WeakPolarHBondContact O-CB 3.49Å; S178-F181 PolarHBondContact O-N 2.83Å; S179-F181 PolarHBondContact O-N 3.3Å; F181-T183 HydrophobicContact CD1-CG2 4.09Å; F181-T183 WeakPolarHBondContact CD1-OG1 3.38Å; F181-T183 HydrophobicContact CE1-CG2 3.76Å; F181-T183 PolarHBondContact O-N 3.13Å; F181-T183 VanDerWaalsContact O-N 3.09Å; F181-S184 WeakPolarHBondContact O-CB 3.48Å; F181-S184 PolarHBondContact O-N 3.27Å; F181-S184 PolarHBondContact O-OG 2.85Å | ||
| 182 | M | 76.6 | Confident | 85.1 | Confident | 51 Ų | 51 | 60.3 Ų | 60.3 | 25% | 0.251 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -30.7 | -176.1 | -60.3 | -134.1 | 129.1 | 0 | 0 | 113.4 | L126 T150 S154 | L126-M182 HydrophobicContact CD1-CE 3.94Å; L126-M182 HydrophobicContact CD1-SD 3.45Å; L126-M182 WeakPolarHBondContact CD1-SD 3.1Å; L126-M182 HydrophobicContact CD2-CB 4.23Å; L126-M182 HydrophobicContact CD2-SD 4.07Å; L126-M182 HydrophobicContact CG-CB 4.43Å; L126-M182 HydrophobicContact CG-SD 3.5Å; L126-M182 WeakPolarHBondContact CG-SD 3.49Å; T150-M182 HydrophobicContact CG2-CE 3.31Å; T150-M182 HydrophobicContact CG2-CG 4.36Å; T150-M182 HydrophobicContact CG2-SD 4.08Å; S154-M182 VanDerWaalsContact CB-CE 3.47Å; S154-M182 WeakPolarHBondContact OG-CG 3.41Å |
| 183 | T | 81.2 | Confident | 85.7 | Confident | 45 Ų | 45 | 64 Ų | 64 | 28% | 0.276 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -0.4 | 178.8 | 67.9 | 0 | 0 | 0 | 0 | 113.8 | P125 I129 F181 A185 L186 S187 | P125-T183 HydrophobicContact CB-CG2 4.27Å; I129-T183 HydrophobicContact CD1-CG2 4.23Å; F181-T183 HydrophobicContact CD1-CG2 4.09Å; F181-T183 WeakPolarHBondContact CD1-OG1 3.38Å; F181-T183 HydrophobicContact CE1-CG2 3.76Å; F181-T183 PolarHBondContact O-N 3.13Å; F181-T183 VanDerWaalsContact O-N 3.09Å; T183-A185 PolarHBondContact O-N 2.93Å; T183-L186 PolarHBondContact O-N 3.33Å; T183-S187 WeakPolarHBondContact O-CB 3.42Å; T183-S187 PolarHBondContact O-N 3.35Å |
| 184 | S | 84.8 | Confident | 86 | Confident | 25 Ų | 25 | 62.1 Ų | 62.1 | 18% | 0.175 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.2 | -37 | -173.9 | 63.6 | 0 | 0 | 0 | 0 | 113 | F181 S187 K188 | F181-S184 WeakPolarHBondContact O-CB 3.48Å; F181-S184 PolarHBondContact O-N 3.27Å; F181-S184 PolarHBondContact O-OG 2.85Å; S184-S187 PolarHBondContact O-N 2.95Å; S184-K188 WeakPolarHBondContact O-CG 3.37Å; S184-K188 PolarHBondContact O-N 2.88Å |
| 185 | A | 85.7 | Confident | 86.2 | Confident | 37 Ų | 37 | 65.1 Ų | 65.1 | 31% | 0.306 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.6 | -44 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I144 T183 K188 Y189 | I144-A185 HydrophobicContact CG1-CB 4.3Å; I144-A185 HydrophobicContact CG2-CB 3.76Å; T183-A185 PolarHBondContact O-N 2.93Å; A185-K188 PolarHBondContact O-N 3.31Å; A185-Y189 PolarHBondContact O-N 2.92Å |
| 186 | L | 88 | Confident | 86 | Confident | 31 Ų | 31 | 69.1 Ų | 69.1 | 16% | 0.162 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 174 | -178.1 | 69.5 | 0 | 0 | 0 | 111.3 | I129 I141 I144 T183 K188 Y189 I190 | I129-L186 HydrophobicContact CD1-CD2 4.42Å; I129-L186 HydrophobicContact CG1-CD2 4.04Å; I141-L186 HydrophobicContact CD1-CD1 4.44Å; I141-L186 HydrophobicContact CG1-CD1 4.15Å; I141-L186 HydrophobicContact CG2-CD1 4.25Å; I144-L186 HydrophobicContact CG2-CB 4.34Å; T183-L186 PolarHBondContact O-N 3.33Å; L186-K188 VanDerWaalsContact C-N 3.34Å; L186-K188 PolarHBondContact O-N 3.37Å; L186-Y189 WeakPolarHBondContact O-CB 3.27Å; L186-Y189 PolarHBondContact O-N 3.34Å; L186-Y189 VanDerWaalsContact O-N 3.13Å; L186-I190 HydrophobicContact CD1-CD1 4.21Å; L186-I190 HydrophobicContact CD1-CG1 4.39Å; L186-I190 HydrophobicContact CD2-CD1 4.22Å; L186-I190 HydrophobicContact CG-CD1 3.81Å; L186-I190 HydrophobicContact CG-CG1 4.36Å; L186-I190 WeakPolarHBondContact O-CG1 3.37Å; L186-I190 PolarHBondContact O-N 3.1Å |
| 187 | S | 89.2 | Confident | 85.9 | Confident | 67 Ų | 67 | 70 Ų | 70 | 47% | 0.469 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 179.1 | 178.6 | 0 | 0 | 0 | 0 | 112 | T183 S184 I190 A191 | T183-S187 WeakPolarHBondContact O-CB 3.42Å; T183-S187 PolarHBondContact O-N 3.35Å; S184-S187 PolarHBondContact O-N 2.95Å; S187-I190 PolarHBondContact O-N 3.11Å; S187-A191 VanDerWaalsContact O-CB 3.32Å; S187-A191 WeakPolarHBondContact O-CB 3.37Å; S187-A191 PolarHBondContact O-N 2.98Å |
| 188 | K | 89.7 | Confident | 85.7 | Confident | 147 Ų | 147 | 71.4 Ų | 71.4 | 64% | 0.639 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -61 | -44.8 | 173.2 | -74.2 | 174.8 | -177.9 | 178.1 | 0 | 111.4 | S184 A185 L186 A191 T192 | S184-K188 WeakPolarHBondContact O-CG 3.37Å; S184-K188 PolarHBondContact O-N 2.88Å; A185-K188 PolarHBondContact O-N 3.31Å; L186-K188 VanDerWaalsContact C-N 3.34Å; L186-K188 PolarHBondContact O-N 3.37Å; K188-A191 WeakPolarHBondContact O-CB 3.13Å; K188-A191 PolarHBondContact O-N 3.12Å; K188-T192 WeakPolarHBondContact O-CG2 3.14Å; K188-T192 PolarHBondContact O-N 3.36Å |
| 189 | Y | 90.9 | Very high | 85.5 | Confident | 29 Ų | 29 | 70.9 Ų | 70.9 | 11% | 0.114 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.9 | -49.7 | 177.8 | 175.9 | -124.6 | 0 | 0 | 0 | 111.8 | D138 R140 I141 I144 A185 L186 A191 T192 L193 | D138-Y189 PolarHBondContact OD1-OH 2.78Å; D138-Y189 WeakPolarHBondContact OD2-CE1 3.47Å; D138-Y189 VanDerWaalsContact OD2-CZ 3.25Å; D138-Y189 PolarHBondContact OD2-OH 2.87Å; R140-Y189 HydrophobicContact CB-CD2 4.49Å; R140-Y189 HydrophobicContact CB-CE1 4.16Å; R140-Y189 HydrophobicContact CB-CE2 4.12Å; R140-Y189 HydrophobicContact CG-CE2 4.34Å; I141-Y189 HydrophobicContact CD1-CE1 4.22Å; I141-Y189 HydrophobicContact CG1-CD1 4Å; I141-Y189 HydrophobicContact CG1-CE1 3.71Å; I144-Y189 HydrophobicContact CD1-CD1 4.37Å; I144-Y189 HydrophobicContact CD1-CG 4.28Å; A185-Y189 PolarHBondContact O-N 2.92Å; L186-Y189 WeakPolarHBondContact O-CB 3.27Å; L186-Y189 PolarHBondContact O-N 3.34Å; L186-Y189 VanDerWaalsContact O-N 3.13Å; Y189-A191 VanDerWaalsContact C-N 3.28Å; Y189-A191 PolarHBondContact O-N 2.93Å; Y189-T192 PolarHBondContact O-N 2.76Å; Y189-T192 PolarHBondContact O-OG1 2.73Å; Y189-L193 HydrophobicContact CD1-CD1 4.42Å; Y189-L193 HydrophobicContact CE1-CD1 3.84Å; Y189-L193 HydrophobicContact CE2-CD1 4.16Å; Y189-L193 HydrophobicContact CE2-CD2 4.04Å; Y189-L193 HydrophobicContact CE2-CG 4.01Å; Y189-L193 PolarHBondContact O-N 3.17Å; Y189-L193 VanDerWaalsContact O-N 3.12Å |
| 190 | I | 90.5 | Very high | 85.4 | Confident | 77 Ų | 77 | 74.4 Ų | 74.4 | 40% | 0.395 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -58.6 | -42.3 | 175.9 | -66.4 | 170.3 | 0 | 0 | 0 | 110.8 | L186 S187 T192 L193 L194 | L186-I190 HydrophobicContact CD1-CD1 4.21Å; L186-I190 HydrophobicContact CD1-CG1 4.39Å; L186-I190 HydrophobicContact CD2-CD1 4.22Å; L186-I190 HydrophobicContact CG-CD1 3.81Å; L186-I190 HydrophobicContact CG-CG1 4.36Å; L186-I190 WeakPolarHBondContact O-CG1 3.37Å; L186-I190 PolarHBondContact O-N 3.1Å; S187-I190 PolarHBondContact O-N 3.11Å; I190-T192 VanDerWaalsContact C-N 3.29Å; I190-T192 PolarHBondContact O-N 3.47Å; I190-L193 WeakPolarHBondContact O-CB 3.4Å; I190-L193 PolarHBondContact O-N 2.94Å; I190-L193 VanDerWaalsContact O-N 3.14Å; I190-L194 HydrophobicContact CG2-CD1 3.87Å; I190-L194 HydrophobicContact CG2-CG 4.19Å; I190-L194 WeakPolarHBondContact O-CG 2.89Å; I190-L194 PolarHBondContact O-N 3.21Å |
| 191 | A | 91.7 | Very high | 85.5 | Confident | 53 Ų | 53 | 78.4 Ų | 78.4 | 44% | 0.438 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60 | -38.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S187 K188 Y189 L194 N195 | S187-A191 VanDerWaalsContact O-CB 3.32Å; S187-A191 WeakPolarHBondContact O-CB 3.37Å; S187-A191 PolarHBondContact O-N 2.98Å; K188-A191 WeakPolarHBondContact O-CB 3.13Å; K188-A191 PolarHBondContact O-N 3.12Å; Y189-A191 VanDerWaalsContact C-N 3.28Å; Y189-A191 PolarHBondContact O-N 2.93Å; A191-L194 PolarHBondContact O-N 3.49Å; A191-N195 VanDerWaalsContact O-CB 3.29Å; A191-N195 WeakPolarHBondContact O-CB 3.5Å; A191-N195 PolarHBondContact O-N 2.96Å |
| 192 | T | 91.1 | Very high | 85.4 | Confident | 81 Ų | 81 | 85.8 Ų | 85.8 | 50% | 0.497 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.4 | -38 | 174.8 | 61.8 | 0 | 0 | 0 | 0 | 112.8 | K188 Y189 I190 N195 | K188-T192 WeakPolarHBondContact O-CG2 3.14Å; K188-T192 PolarHBondContact O-N 3.36Å; Y189-T192 PolarHBondContact O-N 2.76Å; Y189-T192 PolarHBondContact O-OG1 2.73Å; I190-T192 VanDerWaalsContact C-N 3.29Å; I190-T192 PolarHBondContact O-N 3.47Å; T192-N195 PolarHBondContact O-N 3.06Å |
| 193 | L | 90.1 | Very high | 85.6 | Confident | 81 Ų | 81 | 88.1 Ų | 88.1 | 42% | 0.424 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.7 | -43.5 | 174.9 | -63.8 | 177.8 | 0 | 0 | 0 | 111.5 | Y189 I190 N195 F196 | Y189-L193 HydrophobicContact CD1-CD1 4.42Å; Y189-L193 HydrophobicContact CE1-CD1 3.84Å; Y189-L193 HydrophobicContact CE2-CD1 4.16Å; Y189-L193 HydrophobicContact CE2-CD2 4.04Å; Y189-L193 HydrophobicContact CE2-CG 4.01Å; Y189-L193 PolarHBondContact O-N 3.17Å; Y189-L193 VanDerWaalsContact O-N 3.12Å; I190-L193 WeakPolarHBondContact O-CB 3.4Å; I190-L193 PolarHBondContact O-N 2.94Å; I190-L193 VanDerWaalsContact O-N 3.14Å; L193-N195 VanDerWaalsContact C-N 3.33Å; L193-N195 PolarHBondContact O-N 3.34Å; L193-F196 WeakPolarHBondContact O-CB 3.26Å; L193-F196 PolarHBondContact O-N 2.79Å |
| 194 | L | 88.8 | Confident | 85.8 | Confident | 112 Ų | 112 | 89.5 Ų | 89.5 | 59% | 0.586 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -67 | -34.6 | 177.8 | -68 | 175.7 | 0 | 0 | 0 | 112.1 | I190 A191 F196 F197 A198 | I190-L194 HydrophobicContact CG2-CD1 3.87Å; I190-L194 HydrophobicContact CG2-CG 4.19Å; I190-L194 WeakPolarHBondContact O-CG 2.89Å; I190-L194 PolarHBondContact O-N 3.21Å; A191-L194 PolarHBondContact O-N 3.49Å; L194-F196 PolarHBondContact O-N 2.86Å; L194-F197 PolarHBondContact O-N 3.28Å; L194-A198 PolarHBondContact O-N 3.45Å |
| 195 | N | 88.1 | Confident | 85.9 | Confident | 119 Ų | 119 | 90.9 Ų | 90.9 | 64% | 0.636 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.2 | -26.3 | 178.3 | -164.7 | 49.5 | 0 | 0 | 0 | 112.4 | A191 T192 L193 F197 A198 | A191-N195 VanDerWaalsContact O-CB 3.29Å; A191-N195 WeakPolarHBondContact O-CB 3.5Å; A191-N195 PolarHBondContact O-N 2.96Å; T192-N195 PolarHBondContact O-N 3.06Å; L193-N195 VanDerWaalsContact C-N 3.33Å; L193-N195 PolarHBondContact O-N 3.34Å; N195-F197 PolarHBondContact O-N 2.99Å; N195-A198 WeakPolarHBondContact O-CB 3.34Å; N195-A198 PolarHBondContact O-N 3.4Å |
| 196 | F | 83.4 | Confident | 85.8 | Confident | 125 Ų | 125 | 92.1 Ų | 92.1 | 55% | 0.548 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -31.1 | 173 | -178.8 | -93.8 | 0 | 0 | 0 | 112.9 | L193 L194 K200 | L193-F196 WeakPolarHBondContact O-CB 3.26Å; L193-F196 PolarHBondContact O-N 2.79Å; L194-F196 PolarHBondContact O-N 2.86Å; F196-K200 VanDerWaalsContact O-CD 3.3Å; F196-K200 WeakPolarHBondContact O-CD 3.12Å; F196-K200 VanDerWaalsContact O-CE 3.26Å; F196-K200 WeakPolarHBondContact O-CE 3.43Å |
| 197 | F | 82.5 | Confident | 85.8 | Confident | 115 Ų | 115 | 99 Ų | 99 | 50% | 0.504 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -15.8 | 178.3 | -62.9 | -74.2 | 0 | 0 | 0 | 113.1 | L194 N195 | L194-F197 PolarHBondContact O-N 3.28Å; N195-F197 PolarHBondContact O-N 2.99Å |
| 198 | A | 82 | Confident | 85.8 | Confident | 59 Ų | 59 | 100.1 Ų | 100.1 | 49% | 0.488 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 134.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | L194 N195 K200 | L194-A198 PolarHBondContact O-N 3.45Å; N195-A198 WeakPolarHBondContact O-CB 3.34Å; N195-A198 PolarHBondContact O-N 3.4Å; A198-K200 VanDerWaalsContact C-N 3.35Å; A198-K200 PolarHBondContact O-N 2.83Å |
| 199 | G | 78.8 | Confident | 85.7 | Confident | 40 Ų | 40 | 102.6 Ų | 102.6 | 41% | 0.412 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | -24.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | H204 | G199-H204 WeakPolarHBondContact CA-CD2 3.33Å; G199-H204 PolarHBondContact N-CD2 3.18Å |
| 200 | K | 78.8 | Confident | 85.5 | Confident | 135 Ų | 135 | 105.2 Ų | 105.2 | 59% | 0.587 | 54% | 0.542 | S | S | * | . | trans | -94.7 | -5.2 | -171.4 | -61 | -172.3 | -174.1 | 175.2 | 0 | 115.5 | F196 A198 | F196-K200 VanDerWaalsContact O-CD 3.3Å; F196-K200 WeakPolarHBondContact O-CD 3.12Å; F196-K200 VanDerWaalsContact O-CE 3.26Å; F196-K200 WeakPolarHBondContact O-CE 3.43Å; A198-K200 VanDerWaalsContact C-N 3.35Å; A198-K200 PolarHBondContact O-N 2.83Å | ||
| 201 | R | 81 | Confident | 85.4 | Confident | 166 Ų | 166 | 105.8 Ų | 105.8 | 63% | 0.626 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -80.5 | 145.9 | 179.5 | -67.7 | -167.3 | 175.3 | 117.6 | -0.2 | 110.2 | S203 H204 | R201-S203 PolarHBondContact O-N 3.32Å; R201-H204 WeakPolarHBondContact O-CB 3.42Å; R201-H204 PolarHBondContact O-N 3.37Å |
| 202 | Q | 79.7 | Confident | 85.2 | Confident | 206 Ų | 206 | 108.2 Ų | 108.2 | 96% | 0.963 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -28.1 | 174.4 | -169.4 | 176.3 | 16.2 | 0 | 0 | 112.7 | H204 | Q202-H204 VanDerWaalsContact C-N 3.29Š|
| 203 | S | 82 | Confident | 85.1 | Confident | 100 Ų | 100 | 109 Ų | 109 | 70% | 0.699 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | 5.4 | 174.2 | 57.7 | 0 | 0 | 0 | 0 | 114.1 | R201 V205 | R201-S203 PolarHBondContact O-N 3.32Å; S203-V205 PolarHBondContact O-N 2.91Å |
| 204 | H | 85.6 | Confident | 84.7 | Confident | 75 Ų | 75 | 107.1 Ų | 107.1 | 35% | 0.347 | 55% | 0.548 | S | S | . | . | trans | -67 | 132 | 177.4 | 177.4 | -94.9 | 0 | 0 | 0 | 110 | G199 R201 Q202 S206 | G199-H204 WeakPolarHBondContact CA-CD2 3.33Å; G199-H204 PolarHBondContact N-CD2 3.18Å; R201-H204 WeakPolarHBondContact O-CB 3.42Å; R201-H204 PolarHBondContact O-N 3.37Å; Q202-H204 VanDerWaalsContact C-N 3.29Å; H204-S206 PolarHBondContact CE1-OG 3.46Å | ||
| 205 | V | 85.7 | Confident | 84.6 | Confident | 53 Ų | 53 | 106.3 Ų | 106.3 | 32% | 0.321 | 55% | 0.547 | S | S | . | . | trans | -117.7 | 119.5 | 175.5 | -179.9 | 0 | 0 | 0 | 0 | 108.1 | S203 Y207 E210 L211 | S203-V205 PolarHBondContact O-N 2.91Å; V205-Y207 WeakPolarHBondContact CG1-O 3.45Å; V205-E210 HydrophobicContact CG1-CB 3.94Å; V205-E210 HydrophobicContact CG1-CG 4.27Å; V205-L211 HydrophobicContact CG1-CB 3.59Å; V205-L211 HydrophobicContact CG2-CB 4.37Å; V205-L211 HydrophobicContact CG2-CD1 4.07Å | ||
| 206 | S | 85.3 | Confident | 84.5 | Confident | 63 Ų | 63 | 108.7 Ų | 108.7 | 44% | 0.441 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -78.8 | -38.6 | -178.1 | -52 | 0 | 0 | 0 | 0 | 111.7 | H204 E210 | H204-S206 PolarHBondContact CE1-OG 3.46Å; S206-E210 WeakPolarHBondContact CB-OE2 3.34Å; S206-E210 PolarHBondContact N-OE2 3.45Å; S206-E210 PolarHBondContact OG-OE2 3.48Å |
| 207 | Y | 87.6 | Confident | 84.2 | Confident | 175 Ų | 175 | 107.9 Ų | 107.9 | 69% | 0.686 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -138.5 | 153.2 | -174.7 | -42.9 | -73.3 | 0 | 0 | 0 | 111.8 | V205 R209 E210 L211 | V205-Y207 WeakPolarHBondContact CG1-O 3.45Å; Y207-R209 PolarHBondContact O-N 3.27Å; Y207-R209 VanDerWaalsContact O-N 3.1Å; Y207-E210 WeakPolarHBondContact O-CB 3.3Å; Y207-E210 PolarHBondContact O-N 2.99Å; Y207-L211 PolarHBondContact O-N 3.26Å |
| 208 | S | 87.9 | Confident | 83.7 | Confident | 91 Ų | 91 | 106.3 Ų | 106.3 | 64% | 0.636 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -56.3 | -31.6 | 179.6 | 56.3 | 0 | 0 | 0 | 0 | 113.8 | L211 L212 | S208-L211 PolarHBondContact O-N 3.48Å; S208-L212 VanDerWaalsContact O-CG 3.31Å; S208-L212 WeakPolarHBondContact O-CG 3.37Å; S208-L212 PolarHBondContact O-N 3.03Å |
| 209 | R | 88.6 | Confident | 82.8 | Confident | 199 Ų | 199 | 110 Ų | 110 | 75% | 0.751 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.1 | -38.9 | 175.6 | -70.8 | -174.5 | -179.8 | 173.2 | -0.1 | 112.8 | Y207 L211 L212 N213 | Y207-R209 PolarHBondContact O-N 3.27Å; Y207-R209 VanDerWaalsContact O-N 3.1Å; R209-L211 VanDerWaalsContact C-N 3.32Å; R209-L212 PolarHBondContact O-N 3.34Å; R209-N213 WeakPolarHBondContact O-CB 3.39Å; R209-N213 PolarHBondContact O-N 3.38Å; R209-N213 PolarHBondContact O-OD1 3.03Å |
| 210 | E | 86.8 | Confident | 81.7 | Confident | 85 Ų | 85 | 116.4 Ų | 116.4 | 40% | 0.397 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.5 | -40.9 | 177.1 | -175.7 | 179.1 | -168.6 | 0 | 0 | 110.5 | V205 S206 Y207 N213 A214 | V205-E210 HydrophobicContact CG1-CB 3.94Å; V205-E210 HydrophobicContact CG1-CG 4.27Å; S206-E210 WeakPolarHBondContact CB-OE2 3.34Å; S206-E210 PolarHBondContact N-OE2 3.45Å; S206-E210 PolarHBondContact OG-OE2 3.48Å; Y207-E210 WeakPolarHBondContact O-CB 3.3Å; Y207-E210 PolarHBondContact O-N 2.99Å; E210-N213 PolarHBondContact O-N 3.44Å; E210-A214 WeakPolarHBondContact O-CB 3.32Å; E210-A214 PolarHBondContact O-N 3.16Å |
| 211 | L | 87.5 | Confident | 80.4 | Confident | 89 Ų | 89 | 114.6 Ų | 114.6 | 47% | 0.466 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.1 | -47.5 | 174.4 | -179.2 | 67.7 | 0 | 0 | 0 | 110.8 | V205 Y207 S208 R209 N213 A214 V215 | V205-L211 HydrophobicContact CG1-CB 3.59Å; V205-L211 HydrophobicContact CG2-CB 4.37Å; V205-L211 HydrophobicContact CG2-CD1 4.07Å; Y207-L211 PolarHBondContact O-N 3.26Å; S208-L211 PolarHBondContact O-N 3.48Å; R209-L211 VanDerWaalsContact C-N 3.32Å; L211-N213 VanDerWaalsContact C-N 3.27Å; L211-N213 PolarHBondContact O-N 3.24Å; L211-A214 PolarHBondContact O-N 3.38Å; L211-V215 HydrophobicContact CD1-CG2 4.2Å; L211-V215 HydrophobicContact CG-CG2 4.32Å; L211-V215 WeakPolarHBondContact O-CB 3.36Å; L211-V215 VanDerWaalsContact O-CG2 3.26Å; L211-V215 WeakPolarHBondContact O-CG2 3.46Å; L211-V215 PolarHBondContact O-N 3.4Å |
| 212 | L | 88.7 | Confident | 78.9 | Confident | 103 Ų | 103 | 112 Ų | 112 | 54% | 0.539 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -60.7 | -39 | 178.8 | -71.5 | 173.1 | 0 | 0 | 0 | 111.7 | S208 R209 K216 | S208-L212 VanDerWaalsContact O-CG 3.31Å; S208-L212 WeakPolarHBondContact O-CG 3.37Å; S208-L212 PolarHBondContact O-N 3.03Å; R209-L212 PolarHBondContact O-N 3.34Å; L212-K216 WeakPolarHBondContact O-CB 3.25Å; L212-K216 VanDerWaalsContact O-CG 3.23Å; L212-K216 WeakPolarHBondContact O-CG 3.36Å; L212-K216 PolarHBondContact O-N 2.89Å; L212-K216 VanDerWaalsContact O-N 3.08Å |
| 213 | N | 87.6 | Confident | 77.4 | Confident | 98 Ų | 98 | 111.5 Ų | 111.5 | 52% | 0.524 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.5 | -45.2 | 176 | -69 | -11.3 | 0 | 0 | 0 | 111.2 | R209 E210 L211 V215 K216 T217 | R209-N213 WeakPolarHBondContact O-CB 3.39Å; R209-N213 PolarHBondContact O-N 3.38Å; R209-N213 PolarHBondContact O-OD1 3.03Å; E210-N213 PolarHBondContact O-N 3.44Å; L211-N213 VanDerWaalsContact C-N 3.27Å; L211-N213 PolarHBondContact O-N 3.24Å; N213-V215 PolarHBondContact O-N 3.43Å; N213-K216 PolarHBondContact O-N 2.87Å; N213-T217 WeakPolarHBondContact O-CG2 3.3Å; N213-T217 PolarHBondContact O-N 3.42Å; N213-T217 PolarHBondContact O-OG1 3.44Å |
| 214 | A | 83.4 | Confident | 75.7 | Confident | 42 Ų | 42 | 114.2 Ų | 114.2 | 35% | 0.347 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62 | -41 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E210 L211 K216 T217 T218 | E210-A214 WeakPolarHBondContact O-CB 3.32Å; E210-A214 PolarHBondContact O-N 3.16Å; L211-A214 PolarHBondContact O-N 3.38Å; A214-K216 VanDerWaalsContact C-N 3.35Å; A214-T217 WeakPolarHBondContact CA-OG1 3.38Å; A214-T217 PolarHBondContact O-N 2.87Å; A214-T217 PolarHBondContact O-OG1 3.11Å; A214-T218 PolarHBondContact O-N 3.28Å; A214-T218 PolarHBondContact O-OG1 3.1Å |
| 215 | V | 85.4 | Confident | 73.4 | Confident | 94 Ų | 94 | 116.6 Ų | 116.6 | 57% | 0.57 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -66.2 | -37.7 | 176.1 | 172.2 | 0 | 0 | 0 | 0 | 111 | L211 N213 T218 | L211-V215 HydrophobicContact CD1-CG2 4.2Å; L211-V215 HydrophobicContact CG-CG2 4.32Å; L211-V215 WeakPolarHBondContact O-CB 3.36Å; L211-V215 VanDerWaalsContact O-CG2 3.26Å; L211-V215 WeakPolarHBondContact O-CG2 3.46Å; L211-V215 PolarHBondContact O-N 3.4Å; N213-V215 PolarHBondContact O-N 3.43Å; V215-T218 PolarHBondContact O-N 3.1Å |
| 216 | K | 85.6 | Confident | 71.3 | Confident | 169 Ų | 169 | 119.4 Ų | 119.4 | 74% | 0.735 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -67.4 | -35.6 | 175.2 | -75.3 | 174 | -179.9 | -174 | 0 | 113.2 | L212 N213 A214 T218 | L212-K216 WeakPolarHBondContact O-CB 3.25Å; L212-K216 VanDerWaalsContact O-CG 3.23Å; L212-K216 WeakPolarHBondContact O-CG 3.36Å; L212-K216 PolarHBondContact O-N 2.89Å; L212-K216 VanDerWaalsContact O-N 3.08Å; N213-K216 PolarHBondContact O-N 2.87Å; A214-K216 VanDerWaalsContact C-N 3.35Å; K216-T218 VanDerWaalsContact C-N 3.34Å |
| 217 | T | 78.1 | Confident | 69.3 | Low | 108 Ų | 108 | 121.8 Ų | 121.8 | 66% | 0.663 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -78.2 | -20.5 | 177.9 | 51.5 | 0 | 0 | 0 | 0 | 113.1 | N213 A214 V219 | N213-T217 WeakPolarHBondContact O-CG2 3.3Å; N213-T217 PolarHBondContact O-N 3.42Å; N213-T217 PolarHBondContact O-OG1 3.44Å; A214-T217 WeakPolarHBondContact CA-OG1 3.38Å; A214-T217 PolarHBondContact O-N 2.87Å; A214-T217 PolarHBondContact O-OG1 3.11Å; T217-V219 VanDerWaalsContact C-N 3.33Å; T217-V219 PolarHBondContact O-N 3.28Å |
| 218 | T | 71.7 | Confident | 67.1 | Low | 83 Ų | 83 | 120.3 Ų | 120.3 | 51% | 0.509 | 66% | 0.657 | S | S | . | * | S | Bend | trans | -76.7 | 89.4 | 176.2 | -50.1 | 0 | 0 | 0 | 0 | 108.2 | A214 V215 K216 E220 | A214-T218 PolarHBondContact O-N 3.28Å; A214-T218 PolarHBondContact O-OG1 3.1Å; V215-T218 PolarHBondContact O-N 3.1Å; K216-T218 VanDerWaalsContact C-N 3.34Å; T218-E220 PolarHBondContact O-N 2.91Å |
| 219 | V | 62 | Low | 64.7 | Low | 137 Ų | 137 | 121.7 Ų | 121.7 | 83% | 0.83 | 67% | 0.665 | S | S | * | * | trans | -47.8 | 120.3 | 166.3 | 179.2 | 0 | 0 | 0 | 0 | 107.7 | T217 | T217-V219 VanDerWaalsContact C-N 3.33Å; T217-V219 PolarHBondContact O-N 3.28Å | ||
| 220 | E | 56.1 | Low | 62.2 | Low | 173 Ų | 173 | 123.5 Ų | 123.5 | 81% | 0.808 | 67% | 0.672 | S | S | * | * | S | Bend | trans | 9.8 | 123.4 | -170.8 | -71.5 | -163.5 | 153.8 | 0 | 0 | 118.3 | T218 | T218-E220 PolarHBondContact O-N 2.91Š|
| 221 | P | 51.1 | Low | 60 | Low | 97 Ų | 97 | 124.8 Ų | 124.8 | 63% | 0.63 | 69% | 0.688 | S | S | * | * | trans | -60.2 | 128.8 | -178.9 | 26.9 | -32.2 | 0 | 0 | 0 | 109.4 | K223 | P221-K223 PolarHBondContact O-N 3.25Š| ||
| 222 | P | 50 | Low | 57.9 | Low | 112 Ų | 112 | 126 Ų | 126 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | trans | -55.2 | 123.4 | 171.3 | 22.8 | -30.3 | 0 | 0 | 0 | 106.2 | L224 | P222-L224 PolarHBondContact O-N 3Š| ||
| 223 | K | 49.2 | Very low | 55.7 | Low | 196 Ų | 196 | 126.9 Ų | 126.9 | 85% | 0.852 | 71% | 0.713 | S | S | * | * | trans | -35.6 | 104.2 | -179.7 | -73.3 | 176.3 | 178.8 | 175.4 | 0 | 107.9 | P221 T225 | P221-K223 PolarHBondContact O-N 3.25Å; K223-T225 PolarHBondContact O-N 2.87Å | ||
| 224 | L | 46.2 | Very low | 53.5 | Low | 156 Ų | 156 | 131.6 Ų | 131.6 | 82% | 0.817 | 73% | 0.729 | S | S | * | * | trans | -60.7 | 98.3 | 171.1 | -76.8 | 164 | 0 | 0 | 0 | 103.5 | P222 T226 | P222-L224 PolarHBondContact O-N 3Å; L224-T226 PolarHBondContact O-N 2.92Å | ||
| 225 | T | 37.7 | Very low | 51.6 | Low | 126 Ų | 126 | 137.7 Ų | 137.7 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | trans | -62.4 | 93.6 | 166.3 | 36.8 | 0 | 0 | 0 | 0 | 103.7 | K223 S227 | K223-T225 PolarHBondContact O-N 2.87Å; T225-S227 PolarHBondContact O-N 2.85Å | ||
| 226 | T | 40.6 | Very low | 49.7 | Very low | 111 Ų | 111 | 139.4 Ų | 139.4 | 68% | 0.681 | 77% | 0.766 | S | S | * | * | trans | -53.8 | 86.7 | 158.3 | 38.5 | 0 | 0 | 0 | 0 | 105.5 | L224 L228 | L224-T226 PolarHBondContact O-N 2.92Å; T226-L228 PolarHBondContact O-N 3.15Å | ||
| 227 | S | 42.7 | Very low | 47.6 | Very low | 113 Ų | 113 | 140.3 Ų | 140.3 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -63.6 | 72.9 | 145.9 | 46.9 | 0 | 0 | 0 | 0 | 104.8 | T225 C229 | T225-S227 PolarHBondContact O-N 2.85Å; S227-C229 PolarHBondContact O-N 3.5Å | ||
| 228 | L | 41.9 | Very low | 46.1 | Very low | 144 Ų | 144 | 147 Ų | 147 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | trans | -44.7 | 116.9 | 165.7 | -88.8 | 152.5 | 0 | 0 | 0 | 104.9 | T226 R230 | T226-L228 PolarHBondContact O-N 3.15Å; L228-R230 PolarHBondContact O-N 2.84Å | ||
| 229 | C | 37.9 | Very low | 44.9 | Very low | 120 Ų | 120 | 150.2 Ų | 150.2 | 81% | 0.811 | 82% | 0.818 | S | S | * | * | trans | -30.4 | 112.9 | 168.5 | -64.6 | 0 | 0 | 0 | 0 | 108.5 | S227 P231 | S227-C229 PolarHBondContact O-N 3.5Å; C229-P231 WeakPolarHBondContact O-CD 3.27Å | ||
| 230 | R | 36.1 | Very low | 44 | Very low | 237 Ų | 237 | 150.9 Ų | 150.9 | 89% | 0.894 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 121.2 | 168.9 | -94.3 | -176.1 | 179.4 | -179.2 | 0.1 | 106.1 | L228 | L228-R230 PolarHBondContact O-N 2.84Š|
| 231 | P | 39.8 | Very low | 43.3 | Very low | 113 Ų | 113 | 149.7 Ų | 149.7 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 141.5 | 174.2 | 22.8 | -30 | 0 | 0 | 0 | 108.2 | C229 | C229-P231 WeakPolarHBondContact O-CD 3.27Š|
| 232 | P | 43.7 | Very low | 42.8 | Very low | 114 Ų | 114 | 152.8 Ų | 152.8 | 74% | 0.74 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 146.8 | -176 | 24.3 | -32.6 | 0 | 0 | 0 | 110.4 | K234 | P232-K234 PolarHBondContact O-N 3.3Š|
| 233 | P | 42.1 | Very low | 42.4 | Very low | 121 Ų | 121 | 155.3 Ų | 155.3 | 79% | 0.786 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 130.3 | -178.4 | 23.8 | -31.4 | 0 | 0 | 0 | 109.8 | L235 | P233-L235 PolarHBondContact O-N 3.03Š|
| 234 | K | 43.3 | Very low | 41.9 | Very low | 197 Ų | 197 | 152.6 Ų | 152.6 | 86% | 0.857 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 122.3 | 169.5 | -74.5 | -178.8 | 175.4 | -178.2 | 0 | 107.6 | P232 T236 | P232-K234 PolarHBondContact O-N 3.3Å; K234-T236 PolarHBondContact O-N 2.58Å; K234-T236 VanDerWaalsContact O-N 3.12Å |
| 235 | L | 42.8 | Very low | 41.6 | Very low | 170 Ų | 170 | 152.4 Ų | 152.4 | 89% | 0.89 | 84% | 0.835 | S | S | * | * | trans | -60.2 | 112.4 | 164 | -85.4 | 121.3 | 0 | 0 | 0 | 107.2 | P233 E237 | P233-L235 PolarHBondContact O-N 3.03Å; L235-E237 PolarHBondContact O-N 3.44Å | ||
| 236 | T | 44.7 | Very low | 41.9 | Very low | 131 Ų | 131 | 154.4 Ų | 154.4 | 80% | 0.804 | 84% | 0.84 | S | S | * | * | trans | -69 | 116.6 | 167.4 | -42 | 0 | 0 | 0 | 0 | 106.7 | K234 L238 | K234-T236 PolarHBondContact O-N 2.58Å; K234-T236 VanDerWaalsContact O-N 3.12Å; T236-L238 PolarHBondContact O-N 2.6Å | ||
| 237 | E | 42.5 | Very low | 42 | Very low | 188 Ų | 188 | 158 Ų | 158 | 88% | 0.879 | 85% | 0.853 | S | S | * | * | trans | -60.1 | 123.3 | 169.1 | -65.9 | -178.8 | 162.9 | 0 | 0 | 108.3 | L235 | L235-E237 PolarHBondContact O-N 3.44Š| ||
| 238 | L | 46.9 | Very low | 42 | Very low | 248 Ų | 248 | 162.1 Ų | 162.1 | 100% | 1.298 | 86% | 0.859 | S | S | * | * | trans | -94.7 | 0 | 155.4 | -85.8 | 167.2 | 0 | 0 | 0 | 107.4 | T236 | T236-L238 PolarHBondContact O-N 2.6Š|
Retrieved 238 of 238 residues in 57.9 ms
(Link to these results)