| 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 | 87.9 | Confident | 96.1 | Very high | 115 Ų | 115 | 99.9 Ų | 99.9 | 57% | 0.567 | 48% | 0.482 | S | S | * | . | 0 | 122.6 | 0 | -177.7 | -167 | -84.5 | 0 | 0 | 107.5 | E5 L6 W53 | M1-E5 WeakPolarHBondContact CA-OE2 3.35Å; M1-E5 HydrophobicContact CG-CB 3.54Å; M1-L6 HydrophobicContact SD-CB 3.92Å; M1-L6 HydrophobicContact SD-CD1 4.5Å; M1-W53 HydrophobicContact CE-CD2 4.24Å; M1-W53 HydrophobicContact CE-CH2 4.19Å; M1-W53 HydrophobicContact CE-CZ2 3.1Å | |||
| 2 | E | 93.2 | Very high | 96.2 | Very high | 134 Ų | 134 | 98.1 Ų | 98.1 | 63% | 0.626 | 48% | 0.476 | S | S | * | . | trans | -94.8 | 164.9 | 173.9 | -64.5 | -55.1 | 134.9 | 0 | 0 | 111.9 | E4 E5 L6 | E2-E4 PolarHBondContact O-N 3.07Å; E2-E4 VanDerWaalsContact O-N 3.1Å; E2-E5 PolarHBondContact N-OE2 2.91Å; E2-E5 WeakPolarHBondContact O-CB 3.25Å; E2-E5 PolarHBondContact O-N 3.15Å; E2-L6 PolarHBondContact O-N 3.26Å; E2-L6 VanDerWaalsContact O-N 3.13Å | ||
| 3 | P | 96.5 | Very high | 96.3 | Very high | 84 Ų | 84 | 95.4 Ų | 95.4 | 55% | 0.545 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -53.5 | -33.1 | -178.3 | -30.1 | 36.6 | 0 | 0 | 0 | 115.5 | L6 R7 | P3-L6 WeakPolarHBondContact O-CB 3.46Å; P3-L6 PolarHBondContact O-N 3.39Å; P3-R7 WeakPolarHBondContact O-CG 3.28Å; P3-R7 PolarHBondContact O-N 3.15Å |
| 4 | E | 97.7 | Very high | 96.4 | Very high | 124 Ų | 124 | 94.3 Ų | 94.3 | 58% | 0.579 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -72.8 | -31.4 | 177.8 | -68.5 | -52.8 | 133.9 | 0 | 0 | 112.9 | E2 R7 K8 | E2-E4 PolarHBondContact O-N 3.07Å; E2-E4 VanDerWaalsContact O-N 3.1Å; E4-R7 PolarHBondContact O-N 3.19Å; E4-R7 IonicContact OE1-NE 3.81Å; E4-R7 PolarHBondContact OE1-NE 3.12Å; E4-R7 VanDerWaalsContact OE1-NE 3.13Å; E4-R7 WeakPolarHBondContact OE2-CD 3.42Å; E4-R7 IonicContact OE2-NE 3.15Å; E4-K8 PolarHBondContact O-N 3.49Å |
| 5 | E | 96.4 | Very high | 96.5 | Very high | 80 Ų | 80 | 94.1 Ų | 94.1 | 37% | 0.374 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.8 | -39.5 | 170.2 | -66.7 | -179.3 | 93.9 | 0 | 0 | 110.7 | M1 E2 R7 K8 W9 | M1-E5 WeakPolarHBondContact CA-OE2 3.35Å; M1-E5 HydrophobicContact CG-CB 3.54Å; E2-E5 PolarHBondContact N-OE2 2.91Å; E2-E5 WeakPolarHBondContact O-CB 3.25Å; E2-E5 PolarHBondContact O-N 3.15Å; E5-R7 VanDerWaalsContact C-N 3.31Å; E5-R7 PolarHBondContact O-N 3.02Å; E5-K8 PolarHBondContact O-N 3.09Å; E5-W9 WeakPolarHBondContact O-CB 3.34Å; E5-W9 PolarHBondContact O-N 3.4Å |
| 6 | L | 96.6 | Very high | 96.6 | Very high | 110 Ų | 110 | 91.5 Ų | 91.5 | 58% | 0.576 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -58.8 | -42.4 | 171.9 | 174.2 | 64 | 0 | 0 | 0 | 111.2 | M1 E2 P3 G10 | M1-L6 HydrophobicContact SD-CB 3.92Å; M1-L6 HydrophobicContact SD-CD1 4.5Å; E2-L6 PolarHBondContact O-N 3.26Å; E2-L6 VanDerWaalsContact O-N 3.13Å; P3-L6 WeakPolarHBondContact O-CB 3.46Å; P3-L6 PolarHBondContact O-N 3.39Å; L6-G10 WeakPolarHBondContact O-CA 3.41Å; L6-G10 PolarHBondContact O-N 3.19Å |
| 7 | R | 97.8 | Very high | 96.6 | Very high | 148 Ų | 148 | 88.8 Ų | 88.8 | 56% | 0.558 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -62.8 | -44.6 | 175.1 | -69.7 | -173.4 | -160.9 | -80.6 | -1.7 | 112 | P3 E4 E5 K11 | P3-R7 WeakPolarHBondContact O-CG 3.28Å; P3-R7 PolarHBondContact O-N 3.15Å; E4-R7 PolarHBondContact O-N 3.19Å; E4-R7 IonicContact OE1-NE 3.81Å; E4-R7 PolarHBondContact OE1-NE 3.12Å; E4-R7 VanDerWaalsContact OE1-NE 3.13Å; E4-R7 WeakPolarHBondContact OE2-CD 3.42Å; E4-R7 IonicContact OE2-NE 3.15Å; E5-R7 VanDerWaalsContact C-N 3.31Å; E5-R7 PolarHBondContact O-N 3.02Å; R7-K11 WeakPolarHBondContact O-CB 3.21Å; R7-K11 WeakPolarHBondContact O-CD 3.35Å; R7-K11 WeakPolarHBondContact O-CG 3.45Å; R7-K11 PolarHBondContact O-N 2.84Å; R7-K11 VanDerWaalsContact O-N 3.16Å |
| 8 | K | 98 | Very high | 96.7 | Very high | 115 Ų | 115 | 86.3 Ų | 86.3 | 50% | 0.5 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.7 | -60.5 | 179.5 | 179.1 | -169.8 | 172.8 | -164.1 | 0 | 110.7 | E4 E5 K11 L12 E54 | E4-K8 PolarHBondContact O-N 3.49Å; E5-K8 PolarHBondContact O-N 3.09Å; K8-K11 PolarHBondContact O-N 2.88Å; K8-L12 PolarHBondContact O-N 3.33Å; K8-L12 VanDerWaalsContact O-N 3.16Å; K8-E54 IonicContact NZ-OE1 3.13Å; K8-E54 PolarHBondContact NZ-OE1 2.86Å |
| 9 | W | 97.6 | Very high | 96.7 | Very high | 18 Ų | 18 | 86.9 Ų | 86.9 | 7% | 0.068 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -73.8 | -34.1 | -173.2 | -62.4 | 120.5 | 0 | 0 | 0 | 112.6 | E5 L12 M13 W53 E54 F57 | E5-W9 WeakPolarHBondContact O-CB 3.34Å; E5-W9 PolarHBondContact O-N 3.4Å; W9-L12 HydrophobicContact CE3-CD2 3.74Å; W9-L12 HydrophobicContact CZ3-CD2 3.63Å; W9-L12 PolarHBondContact O-N 2.94Å; W9-M13 WeakPolarHBondContact O-CB 3.49Å; W9-M13 PolarHBondContact O-N 3.31Å; W9-W53 HydrophobicContact CB-CD2 4.25Å; W9-W53 HydrophobicContact CB-CE3 4.32Å; W9-W53 AromaticContact CD1-CD1 3.62Å; W9-W53 AromaticContact CD1-CG 3.6Å; W9-W53 HydrophobicContact CD2-CB 3.48Å; W9-W53 VanDerWaalsContact CD2-CB 3.48Å; W9-W53 HydrophobicContact CD2-CD2 4.25Å; W9-W53 AromaticContact CD2-CG 3.79Å; W9-W53 HydrophobicContact CD2-CG 3.79Å; W9-W53 AromaticContact CE2-CG 3.66Å; W9-W53 HydrophobicContact CE3-CB 3.89Å; W9-W53 HydrophobicContact CG-CB 4.03Å; W9-W53 AromaticContact CG-CD2 3.94Å; W9-W53 HydrophobicContact CG-CD2 3.94Å; W9-W53 HydrophobicContact CG-CE3 4.35Å; W9-W53 AromaticContact CG-CG 3.77Å; W9-W53 HydrophobicContact CG-CG 3.77Å; W9-W53 HydrophobicContact CH2-CB 3.71Å; W9-W53 HydrophobicContact CZ2-CB 3.29Å; W9-W53 HydrophobicContact CZ2-CG 4.26Å; W9-W53 HydrophobicContact CZ3-CB 3.99Å; W9-W53 AromaticContact NE1-CD1 3.53Å; W9-W53 AromaticContact NE1-CG 3.52Å; W9-E54 HydrophobicContact CH2-CG 3.88Å; W9-E54 WeakPolarHBondContact CH2-OE1 3.34Å; W9-E54 VanDerWaalsContact CZ2-CD 3.49Å; W9-E54 HydrophobicContact CZ2-CG 4.46Å; W9-E54 WeakPolarHBondContact CZ2-OE1 3.44Å; W9-F57 HydrophobicContact CB-CE2 4.36Å; W9-F57 HydrophobicContact CD2-CE2 4.28Å; W9-F57 AromaticContact CE3-CD2 3.72Å; W9-F57 HydrophobicContact CE3-CD2 3.72Å; W9-F57 AromaticContact CE3-CE2 3.45Å; W9-F57 HydrophobicContact CE3-CE2 3.45Å; W9-F57 VanDerWaalsContact CE3-CE2 3.45Å; W9-F57 HydrophobicContact CE3-CZ 4.27Å; W9-F57 AromaticContact CZ3-CD2 3.86Å; W9-F57 HydrophobicContact CZ3-CD2 3.86Å; W9-F57 HydrophobicContact CZ3-CE2 4.07Å |
| 10 | G | 97.3 | Very high | 96.7 | Very high | 28 Ų | 28 | 84.1 Ų | 84.1 | 29% | 0.289 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | L6 M13 I14 | L6-G10 WeakPolarHBondContact O-CA 3.41Å; L6-G10 PolarHBondContact O-N 3.19Å; G10-M13 PolarHBondContact O-N 3.25Å; G10-I14 VanDerWaalsContact O-CG1 3.27Å; G10-I14 WeakPolarHBondContact O-CG1 3.22Å; G10-I14 PolarHBondContact O-N 3.36Å |
| 11 | K | 97.8 | Very high | 96.7 | Very high | 143 Ų | 143 | 82.8 Ų | 82.8 | 62% | 0.622 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -61.4 | -46.4 | 173.9 | -76.3 | 173.4 | -179.3 | -178.3 | 0 | 111.7 | R7 K8 M13 I14 D15 | R7-K11 WeakPolarHBondContact O-CB 3.21Å; R7-K11 WeakPolarHBondContact O-CD 3.35Å; R7-K11 WeakPolarHBondContact O-CG 3.45Å; R7-K11 PolarHBondContact O-N 2.84Å; R7-K11 VanDerWaalsContact O-N 3.16Å; K8-K11 PolarHBondContact O-N 2.88Å; K11-M13 VanDerWaalsContact C-N 3.28Å; K11-M13 PolarHBondContact O-N 2.99Å; K11-I14 WeakPolarHBondContact O-CB 3.45Å; K11-I14 PolarHBondContact O-N 3.41Å; K11-I14 VanDerWaalsContact O-N 3.09Å; K11-D15 PolarHBondContact O-N 3.08Å |
| 12 | L | 97.6 | Very high | 97 | Very high | 78 Ų | 78 | 81.9 Ų | 81.9 | 41% | 0.408 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.9 | -39.7 | 178.6 | -171.9 | 65.7 | 0 | 0 | 0 | 112.2 | K8 W9 D15 Y16 F57 | K8-L12 PolarHBondContact O-N 3.33Å; K8-L12 VanDerWaalsContact O-N 3.16Å; W9-L12 HydrophobicContact CE3-CD2 3.74Å; W9-L12 HydrophobicContact CZ3-CD2 3.63Å; W9-L12 PolarHBondContact O-N 2.94Å; L12-D15 PolarHBondContact O-N 2.97Å; L12-Y16 WeakPolarHBondContact O-CB 3.44Å; L12-Y16 PolarHBondContact O-N 3.3Å; L12-F57 HydrophobicContact CB-CE1 4.24Å; L12-F57 HydrophobicContact CB-CZ 3.99Å; L12-F57 HydrophobicContact CD2-CD1 3.88Å; L12-F57 HydrophobicContact CD2-CD2 4.25Å; L12-F57 HydrophobicContact CD2-CE1 3.69Å; L12-F57 HydrophobicContact CD2-CE2 4.09Å; L12-F57 HydrophobicContact CD2-CG 4.15Å; L12-F57 HydrophobicContact CD2-CZ 3.79Å; L12-F57 HydrophobicContact CG-CD1 4.26Å; L12-F57 HydrophobicContact CG-CE1 3.68Å; L12-F57 HydrophobicContact CG-CZ 3.9Å |
| 13 | M | 97.8 | Very high | 97.2 | Very high | 63 Ų | 63 | 78.6 Ų | 78.6 | 31% | 0.31 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -67.3 | -37.3 | 175.7 | -172.4 | 60.7 | 70.8 | 0 | 0 | 112.1 | W9 G10 K11 Y16 V17 F57 L60 | W9-M13 WeakPolarHBondContact O-CB 3.49Å; W9-M13 PolarHBondContact O-N 3.31Å; G10-M13 PolarHBondContact O-N 3.25Å; K11-M13 VanDerWaalsContact C-N 3.28Å; K11-M13 PolarHBondContact O-N 2.99Å; M13-Y16 WeakPolarHBondContact O-CB 3.46Å; M13-Y16 PolarHBondContact O-N 3.03Å; M13-Y16 HydrophobicContact SD-CD1 4.2Å; M13-V17 WeakPolarHBondContact O-CG2 3.46Å; M13-V17 PolarHBondContact O-N 3.34Å; M13-F57 HydrophobicContact CB-CZ 4.1Å; M13-F57 HydrophobicContact CE-CE1 3.92Å; M13-F57 HydrophobicContact CE-CE2 4.35Å; M13-F57 HydrophobicContact CE-CZ 3.72Å; M13-F57 HydrophobicContact SD-CE1 4.49Å; M13-L60 HydrophobicContact CE-CD1 3.97Å |
| 14 | I | 97.7 | Very high | 97.2 | Very high | 80 Ų | 80 | 74.8 Ų | 74.8 | 41% | 0.41 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 175.5 | -69.3 | -70.6 | 0 | 0 | 0 | 111 | G10 K11 Y16 V17 A18 I93 | G10-I14 VanDerWaalsContact O-CG1 3.27Å; G10-I14 WeakPolarHBondContact O-CG1 3.22Å; G10-I14 PolarHBondContact O-N 3.36Å; K11-I14 WeakPolarHBondContact O-CB 3.45Å; K11-I14 PolarHBondContact O-N 3.41Å; K11-I14 VanDerWaalsContact O-N 3.09Å; I14-Y16 VanDerWaalsContact C-N 3.34Å; I14-V17 PolarHBondContact O-N 3.37Å; I14-A18 WeakPolarHBondContact O-CB 3.42Å; I14-A18 PolarHBondContact O-N 2.92Å; I14-I93 HydrophobicContact CD1-CD1 3.46Å; I14-I93 VanDerWaalsContact CD1-CD1 3.46Å |
| 15 | D | 97.7 | Very high | 97.2 | Very high | 92 Ų | 92 | 72.8 Ų | 72.8 | 49% | 0.492 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 175 | -66.8 | -22.8 | 0 | 0 | 0 | 110.3 | K11 L12 V17 A18 D19 | K11-D15 PolarHBondContact O-N 3.08Å; L12-D15 PolarHBondContact O-N 2.97Å; D15-V17 PolarHBondContact O-N 3.01Å; D15-A18 PolarHBondContact O-N 2.9Å; D15-D19 WeakPolarHBondContact O-CB 3.37Å; D15-D19 PolarHBondContact O-N 3.48Å |
| 16 | Y | 97.5 | Very high | 97.2 | Very high | 52 Ų | 52 | 73.7 Ų | 73.7 | 20% | 0.204 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -57 | -45.5 | 175.5 | 179.6 | -92.6 | 0 | 0 | 0 | 113 | L12 M13 I14 D19 Y20 E61 M65 | L12-Y16 WeakPolarHBondContact O-CB 3.44Å; L12-Y16 PolarHBondContact O-N 3.3Å; M13-Y16 WeakPolarHBondContact O-CB 3.46Å; M13-Y16 PolarHBondContact O-N 3.03Å; M13-Y16 HydrophobicContact SD-CD1 4.2Å; I14-Y16 VanDerWaalsContact C-N 3.34Å; Y16-D19 PolarHBondContact O-N 3.08Å; Y16-Y20 VanDerWaalsContact O-CB 3.3Å; Y16-Y20 WeakPolarHBondContact O-CB 3.4Å; Y16-Y20 PolarHBondContact O-N 3.1Å; Y16-E61 WeakPolarHBondContact CE2-OE1 3.18Å; Y16-E61 PolarHBondContact OH-OE1 3.37Å; Y16-M65 WeakPolarHBondContact OH-CG 3.26Å |
| 17 | V | 97.4 | Very high | 97.1 | Very high | 45 Ų | 45 | 71.2 Ų | 71.2 | 27% | 0.273 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.1 | -43 | 177.2 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | M13 I14 D15 Y20 W21 I89 | M13-V17 WeakPolarHBondContact O-CG2 3.46Å; M13-V17 PolarHBondContact O-N 3.34Å; I14-V17 PolarHBondContact O-N 3.37Å; D15-V17 PolarHBondContact O-N 3.01Å; V17-Y20 WeakPolarHBondContact O-CB 3.27Å; V17-Y20 PolarHBondContact O-N 3.43Å; V17-W21 PolarHBondContact O-N 2.92Å; V17-I89 HydrophobicContact CG1-CD1 4.42Å |
| 18 | A | 97.5 | Very high | 97 | Very high | 44 Ų | 44 | 70 Ų | 70 | 36% | 0.364 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I14 D15 W21 T22 | I14-A18 WeakPolarHBondContact O-CB 3.42Å; I14-A18 PolarHBondContact O-N 2.92Å; D15-A18 PolarHBondContact O-N 2.9Å; A18-W21 PolarHBondContact O-N 3.05Å; A18-T22 WeakPolarHBondContact O-CG2 3.44Å; A18-T22 PolarHBondContact O-N 3.36Å; A18-T22 VanDerWaalsContact O-N 3.11Å; A18-T22 PolarHBondContact O-OG1 3.21Å |
| 19 | D | 97.6 | Very high | 97 | Very high | 98 Ų | 98 | 66.1 Ų | 66.1 | 52% | 0.524 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 176.3 | -73.2 | -12.8 | 0 | 0 | 0 | 111.6 | D15 Y16 W21 T22 T23 | D15-D19 WeakPolarHBondContact O-CB 3.37Å; D15-D19 PolarHBondContact O-N 3.48Å; Y16-D19 PolarHBondContact O-N 3.08Å; D19-W21 VanDerWaalsContact C-N 3.32Å; D19-W21 PolarHBondContact O-N 3.03Å; D19-T22 WeakPolarHBondContact CA-OG1 3.29Å; D19-T22 PolarHBondContact O-N 3.19Å; D19-T22 PolarHBondContact O-OG1 3.01Å; D19-T23 WeakPolarHBondContact O-CB 3.31Å; D19-T23 WeakPolarHBondContact O-CG2 3.25Å; D19-T23 PolarHBondContact O-N 3.39Å; D19-T23 PolarHBondContact O-OG1 3.34Å |
| 20 | Y | 97 | Very high | 96.9 | Very high | 31 Ų | 31 | 68.6 Ų | 68.6 | 12% | 0.122 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -55.5 | -46.8 | 173.5 | 164.8 | -108.4 | 0 | 0 | 0 | 111.7 | Y16 V17 L24 M65 H70 | Y16-Y20 VanDerWaalsContact O-CB 3.3Å; Y16-Y20 WeakPolarHBondContact O-CB 3.4Å; Y16-Y20 PolarHBondContact O-N 3.1Å; V17-Y20 WeakPolarHBondContact O-CB 3.27Å; V17-Y20 PolarHBondContact O-N 3.43Å; Y20-L24 HydrophobicContact CE2-CD1 3.64Å; Y20-L24 WeakPolarHBondContact O-CA 3.42Å; Y20-L24 VanDerWaalsContact O-CB 3.28Å; Y20-L24 WeakPolarHBondContact O-CB 3.48Å; Y20-L24 PolarHBondContact O-N 3.27Å; Y20-M65 HydrophobicContact CD2-CE 3.32Å; Y20-M65 HydrophobicContact CE2-CE 3.35Å; Y20-M65 HydrophobicContact CG-CE 4.11Å; Y20-H70 AromaticContact CE2-CE1 3.69Å; Y20-H70 AromaticContact CE2-ND1 3.37Å; Y20-H70 WeakPolarHBondContact CE2-ND1 3.45Å; Y20-H70 AromaticContact CZ-ND1 3.58Å; Y20-H70 PolarHBondContact OH-ND1 3.18Å |
| 21 | W | 95.3 | Very high | 96.8 | Very high | 56 Ų | 56 | 69.1 Ų | 69.1 | 21% | 0.212 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.8 | -40.3 | 180 | -86.1 | 97 | 0 | 0 | 0 | 113.2 | V17 A18 D19 H72 N84 Y86 | V17-W21 PolarHBondContact O-N 2.92Å; A18-W21 PolarHBondContact O-N 3.05Å; D19-W21 VanDerWaalsContact C-N 3.32Å; D19-W21 PolarHBondContact O-N 3.03Å; W21-H72 HydrophobicContact CH2-CB 3.49Å; W21-H72 VanDerWaalsContact CH2-CB 3.49Å; W21-H72 AromaticContact CH2-CD2 3.43Å; W21-H72 VanDerWaalsContact CH2-CD2 3.43Å; W21-H72 WeakPolarHBondContact CH2-CD2 3.32Å; W21-H72 AromaticContact CH2-CE1 3.93Å; W21-H72 AromaticContact CH2-CG 3.21Å; W21-H72 AromaticContact CH2-ND1 3.56Å; W21-H72 AromaticContact CH2-NE2 3.88Å; W21-H72 HydrophobicContact CZ2-CB 4.25Å; W21-H72 AromaticContact CZ2-CD2 3.52Å; W21-H72 AromaticContact CZ2-CG 3.81Å; W21-H72 AromaticContact CZ2-NE2 3.92Å; W21-H72 HydrophobicContact CZ3-CB 3.63Å; W21-H72 AromaticContact CZ3-CG 3.89Å; W21-N84 HydrophobicContact CH2-CB 4.21Å; W21-N84 HydrophobicContact CZ2-CB 4.12Å; W21-N84 WeakPolarHBondContact CZ2-ND2 3.5Å; W21-Y86 HydrophobicContact CB-CE1 4.37Å; W21-Y86 HydrophobicContact CD2-CE1 4.42Å; W21-Y86 HydrophobicContact CG-CE1 4.11Å |
| 22 | T | 95.7 | Very high | 96.6 | Very high | 97 Ų | 97 | 69.6 Ų | 69.6 | 60% | 0.595 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -73.2 | -31.7 | -179.8 | 57.2 | 0 | 0 | 0 | 0 | 112.5 | A18 D19 | A18-T22 WeakPolarHBondContact O-CG2 3.44Å; A18-T22 PolarHBondContact O-N 3.36Å; A18-T22 VanDerWaalsContact O-N 3.11Å; A18-T22 PolarHBondContact O-OG1 3.21Å; D19-T22 WeakPolarHBondContact CA-OG1 3.29Å; D19-T22 PolarHBondContact O-N 3.19Å; D19-T22 PolarHBondContact O-OG1 3.01Å |
| 23 | T | 96.9 | Very high | 96.5 | Very high | 64 Ų | 64 | 68.1 Ų | 68.1 | 39% | 0.393 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -95.2 | -3.6 | 179.4 | 63.1 | 0 | 0 | 0 | 0 | 113.6 | D19 P25 S26 | D19-T23 WeakPolarHBondContact O-CB 3.31Å; D19-T23 WeakPolarHBondContact O-CG2 3.25Å; D19-T23 PolarHBondContact O-N 3.39Å; D19-T23 PolarHBondContact O-OG1 3.34Å; T23-P25 VanDerWaalsContact C-N 3.31Å; T23-P25 VanDerWaalsContact O-N 3.11Å; T23-S26 WeakPolarHBondContact O-CB 3.46Å; T23-S26 PolarHBondContact O-N 2.71Å; T23-S26 PolarHBondContact O-OG 3.11Å |
| 24 | L | 96.7 | Very high | 96.4 | Very high | 4 Ų | 4 | 69.4 Ų | 69.4 | 2% | 0.021 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -48.2 | -42.1 | -175.6 | -177.3 | 55 | 0 | 0 | 0 | 114.7 | Y20 S26 R27 H70 H72 H73 | Y20-L24 HydrophobicContact CE2-CD1 3.64Å; Y20-L24 WeakPolarHBondContact O-CA 3.42Å; Y20-L24 VanDerWaalsContact O-CB 3.28Å; Y20-L24 WeakPolarHBondContact O-CB 3.48Å; Y20-L24 PolarHBondContact O-N 3.27Å; L24-S26 PolarHBondContact O-N 2.95Å; L24-R27 PolarHBondContact O-N 2.89Å; L24-H70 HydrophobicContact CD1-CB 3.92Å; L24-H72 HydrophobicContact CD2-CB 3.77Å; L24-H72 VanDerWaalsContact CD2-O 3.32Å; L24-H72 WeakPolarHBondContact CD2-O 3.43Å; L24-H73 HydrophobicContact CD1-CB 4.41Å; L24-H73 HydrophobicContact CG-CB 4.38Å; L24-H73 PolarHBondContact O-CD2 3.29Å |
| 25 | P | 97 | Very high | 96.4 | Very high | 83 Ų | 83 | 72.3 Ų | 72.3 | 54% | 0.539 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -61 | -12.6 | 178.5 | -22.7 | 34.4 | 0 | 0 | 0 | 115.3 | T23 P74 | T23-P25 VanDerWaalsContact C-N 3.31Å; T23-P25 VanDerWaalsContact O-N 3.11Å; P25-P74 HydrophobicContact CB-CG 4.42Å; P25-P74 HydrophobicContact CG-CG 4.03Å |
| 26 | S | 96.4 | Very high | 96.2 | Very high | 99 Ų | 99 | 70.3 Ų | 70.3 | 69% | 0.692 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -85.9 | -11.3 | 176.1 | 71.5 | 0 | 0 | 0 | 0 | 114 | T23 L24 | T23-S26 WeakPolarHBondContact O-CB 3.46Å; T23-S26 PolarHBondContact O-N 2.71Å; T23-S26 PolarHBondContact O-OG 3.11Å; L24-S26 PolarHBondContact O-N 2.95Å |
| 27 | R | 95.9 | Very high | 96.1 | Very high | 58 Ų | 58 | 70.6 Ų | 70.6 | 22% | 0.219 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -90 | 158 | 179.7 | -61.6 | -172.6 | 177.8 | -107.6 | 2.9 | 111 | L24 E61 H70 H73 | L24-R27 PolarHBondContact O-N 2.89Å; R27-E61 IonicContact CZ-OE1 2.76Å; R27-E61 IonicContact CZ-OE2 3.16Å; R27-E61 IonicContact NH1-OE1 3.44Å; R27-E61 IonicContact NH1-OE2 2.75Å; R27-E61 PolarHBondContact NH1-OE2 2.84Å; R27-E61 IonicContact NH2-OE1 3.8Å; R27-E61 PolarHBondContact NH2-OE1 3.39Å; R27-E61 IonicContact NH2-OE2 2.78Å; R27-E61 PolarHBondContact NH2-OE2 3.2Å; R27-E61 VanDerWaalsContact NH2-OE2 3.16Å; R27-H70 VanDerWaalsContact CD-CE1 3.48Å; R27-H70 WeakPolarHBondContact CD-CE1 3.42Å; R27-H73 PolarHBondContact O-CD2 3.02Å; R27-H73 PolarHBondContact O-NE2 3.32Å; R27-H73 VanDerWaalsContact O-NE2 3.09Å |
| 28 | K | 95.9 | Very high | 96 | Very high | 122 Ų | 122 | 71.7 Ų | 71.7 | 53% | 0.53 | 42% | 0.419 | S | S | . | . | trans | -73.9 | 135.9 | 168.2 | -68.4 | -175.1 | -179.2 | -177.5 | 0 | 108.9 | C30 E32 H70 | K28-C30 VanDerWaalsContact C-N 3.32Å; K28-C30 PolarHBondContact O-N 3.27Å; K28-E32 IonicContact NZ-OE1 3.82Å; K28-E32 PolarHBondContact NZ-OE1 3.41Å; K28-E32 IonicContact NZ-OE2 3.74Å; K28-E32 PolarHBondContact NZ-OE2 3.41Å; K28-H70 PolarHBondContact O-CD2 3.32Å | ||
| 29 | P | 96 | Very high | 95.8 | Very high | 34 Ų | 34 | 78.8 Ų | 78.8 | 22% | 0.221 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -61.4 | -37.2 | -179.9 | -16.4 | 22.4 | 0 | 0 | 0 | 113.9 | T69 H70 H73 H75 F76 | P29-T69 CarbonylContact O-C 3.55Å; P29-H70 PolarHBondContact O-N 2.84Å; P29-H73 HydrophobicContact CB-CB 4.2Å; P29-H75 HydrophobicContact CG-CB 4.3Å; P29-F76 HydrophobicContact CB-CB 4.5Å |
| 30 | C | 96.6 | Very high | 95.5 | Very high | 69 Ų | 69 | 82.4 Ų | 82.4 | 47% | 0.466 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -116.9 | 141.6 | -179.6 | -61.1 | 0 | 0 | 0 | 0 | 109.9 | K28 | K28-C30 VanDerWaalsContact C-N 3.32Å; K28-C30 PolarHBondContact O-N 3.27Å |
| 31 | P | 95.6 | Very high | 95.3 | Very high | 40 Ų | 40 | 84.1 Ų | 84.1 | 26% | 0.26 | 46% | 0.461 | S | S | . | . | trans | -76.5 | 151 | -179.6 | 33.8 | -37.7 | 0 | 0 | 0 | 111.7 | V33 K66 T69 | P31-V33 HydrophobicContact CB-CG2 4.06Å; P31-V33 HydrophobicContact CG-CG2 4.21Å; P31-V33 PolarHBondContact O-N 2.93Å; P31-K66 WeakPolarHBondContact CB-O 3.35Å; P31-T69 WeakPolarHBondContact CD-OG1 3.41Å | ||
| 32 | E | 93.8 | Very high | 95.1 | Very high | 153 Ų | 153 | 85.2 Ų | 85.2 | 72% | 0.715 | 47% | 0.473 | S | S | * | . | trans | -101.3 | 64 | 175 | -69.3 | 173.5 | 169.5 | 0 | 0 | 109.8 | K28 | K28-E32 IonicContact NZ-OE1 3.82Å; K28-E32 PolarHBondContact NZ-OE1 3.41Å; K28-E32 IonicContact NZ-OE2 3.74Å; K28-E32 PolarHBondContact NZ-OE2 3.41Å | ||
| 33 | V | 95 | Very high | 95 | Very high | 47 Ų | 47 | 85.4 Ų | 85.4 | 29% | 0.285 | 48% | 0.476 | S | S | . | . | trans | -128.3 | 152.5 | -178.9 | -60.5 | 0 | 0 | 0 | 0 | 111.1 | P31 Y37 K66 | P31-V33 HydrophobicContact CB-CG2 4.06Å; P31-V33 HydrophobicContact CG-CG2 4.21Å; P31-V33 PolarHBondContact O-N 2.93Å; V33-Y37 HydrophobicContact CB-CD1 3.67Å; V33-Y37 HydrophobicContact CB-CD2 4.2Å; V33-Y37 HydrophobicContact CB-CE1 4.12Å; V33-Y37 HydrophobicContact CB-CG 3.73Å; V33-Y37 HydrophobicContact CG1-CD1 4.32Å; V33-Y37 HydrophobicContact CG1-CD2 3.99Å; V33-Y37 HydrophobicContact CG1-CE2 4.26Å; V33-Y37 HydrophobicContact CG1-CG 4.04Å; V33-Y37 HydrophobicContact CG2-CD1 3.6Å; V33-Y37 HydrophobicContact CG2-CE1 3.62Å; V33-Y37 HydrophobicContact CG2-CG 4.17Å; V33-K66 HydrophobicContact CG1-CG 4.3Å | ||
| 34 | S | 95.7 | Very high | 95 | Very high | 90 Ų | 90 | 90.5 Ų | 90.5 | 63% | 0.629 | 50% | 0.495 | S | S | * | . | trans | -100 | 155.5 | 175.4 | -55.6 | 0 | 0 | 0 | 0 | 111.7 | G36 Y37 | S34-G36 PolarHBondContact O-N 2.75Å; S34-Y37 WeakPolarHBondContact O-CB 3.4Å; S34-Y37 WeakPolarHBondContact O-CD1 3.22Å; S34-Y37 PolarHBondContact O-N 3.23Å; S34-Y37 VanDerWaalsContact O-N 3.15Å | ||
| 35 | P | 96.9 | Very high | 95 | Very high | 140 Ų | 140 | 96.7 Ų | 96.7 | 91% | 0.909 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | 129.9 | 173.5 | -28.1 | 35.8 | 0 | 0 | 0 | 112.1 | ||
| 36 | G | 94.5 | Very high | 95 | Very high | 50 Ų | 50 | 97 Ų | 97 | 52% | 0.515 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.2 | -6.6 | -179 | 0 | 0 | 0 | 0 | 0 | 116.1 | S34 I38 R39 | S34-G36 PolarHBondContact O-N 2.75Å; G36-I38 VanDerWaalsContact C-N 3.25Å; G36-I38 PolarHBondContact O-N 3.18Å; G36-I38 VanDerWaalsContact O-N 3.13Å; G36-R39 WeakPolarHBondContact O-CB 3.36Å; G36-R39 PolarHBondContact O-N 2.6Å; G36-R39 VanDerWaalsContact O-N 3.08Å |
| 37 | Y | 94.9 | Very high | 95 | Very high | 58 Ų | 58 | 96.9 Ų | 96.9 | 23% | 0.227 | 54% | 0.535 | C | S | . | . | G | 310 helix | trans | -52.7 | -38.5 | -176.8 | 80.7 | -80 | 0 | 0 | 0 | 114 | V33 S34 R39 Q40 L41 G67 | V33-Y37 HydrophobicContact CB-CD1 3.67Å; V33-Y37 HydrophobicContact CB-CD2 4.2Å; V33-Y37 HydrophobicContact CB-CE1 4.12Å; V33-Y37 HydrophobicContact CB-CG 3.73Å; V33-Y37 HydrophobicContact CG1-CD1 4.32Å; V33-Y37 HydrophobicContact CG1-CD2 3.99Å; V33-Y37 HydrophobicContact CG1-CE2 4.26Å; V33-Y37 HydrophobicContact CG1-CG 4.04Å; V33-Y37 HydrophobicContact CG2-CD1 3.6Å; V33-Y37 HydrophobicContact CG2-CE1 3.62Å; V33-Y37 HydrophobicContact CG2-CG 4.17Å; S34-Y37 WeakPolarHBondContact O-CB 3.4Å; S34-Y37 WeakPolarHBondContact O-CD1 3.22Å; S34-Y37 PolarHBondContact O-N 3.23Å; S34-Y37 VanDerWaalsContact O-N 3.15Å; Y37-R39 VanDerWaalsContact C-N 3.28Å; Y37-R39 PolarHBondContact O-N 3.37Å; Y37-Q40 WeakPolarHBondContact O-CB 3.17Å; Y37-Q40 PolarHBondContact O-N 3.33Å; Y37-L41 HydrophobicContact CD2-CD1 4.27Å; Y37-L41 HydrophobicContact CE2-CD1 4.45Å; Y37-G67 WeakPolarHBondContact OH-CA 3.35Å |
| 38 | I | 94.6 | Very high | 95.1 | Very high | 69 Ų | 69 | 103.8 Ų | 103.8 | 35% | 0.354 | 57% | 0.57 | S | S | . | * | G | 310 helix | trans | -67.3 | -28.7 | -176.4 | -160.8 | 166.5 | 0 | 0 | 0 | 112.6 | G36 Q40 L41 V42 | G36-I38 VanDerWaalsContact C-N 3.25Å; G36-I38 PolarHBondContact O-N 3.18Å; G36-I38 VanDerWaalsContact O-N 3.13Å; I38-Q40 PolarHBondContact O-N 2.98Å; I38-L41 PolarHBondContact O-N 3.38Å; I38-V42 HydrophobicContact CG1-CG2 3.9Å; I38-V42 PolarHBondContact O-N 3.12Å |
| 39 | R | 93.9 | Very high | 95.1 | Very high | 193 Ų | 193 | 106.3 Ų | 106.3 | 73% | 0.728 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -65.7 | -18.5 | 178.4 | -171.3 | 169.7 | -178 | 154.4 | 3.3 | 112.4 | G36 Y37 E44 | G36-R39 WeakPolarHBondContact O-CB 3.36Å; G36-R39 PolarHBondContact O-N 2.6Å; G36-R39 VanDerWaalsContact O-N 3.08Å; Y37-R39 VanDerWaalsContact C-N 3.28Å; Y37-R39 PolarHBondContact O-N 3.37Å; R39-E44 IonicContact NH2-OE1 3.94Å |
| 40 | Q | 91.7 | Very high | 95 | Very high | 173 Ų | 173 | 108.7 Ų | 108.7 | 81% | 0.808 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -86.1 | -13.5 | 174.6 | -58.1 | 177.4 | -2.4 | 0 | 0 | 112.7 | Y37 I38 | Y37-Q40 WeakPolarHBondContact O-CB 3.17Å; Y37-Q40 PolarHBondContact O-N 3.33Å; I38-Q40 PolarHBondContact O-N 2.98Å |
| 41 | L | 92.4 | Very high | 95 | Very high | 68 Ų | 68 | 109.4 Ų | 109.4 | 36% | 0.356 | 61% | 0.611 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.5 | -31.1 | -177.1 | -60.2 | 177.5 | 0 | 0 | 0 | 112.3 | Y37 I38 N62 | Y37-L41 HydrophobicContact CD2-CD1 4.27Å; Y37-L41 HydrophobicContact CE2-CD1 4.45Å; I38-L41 PolarHBondContact O-N 3.38Å; L41-N62 WeakPolarHBondContact CD1-O 3.35Å |
| 42 | V | 92.2 | Very high | 95 | Very high | 79 Ų | 79 | 109.6 Ų | 109.6 | 48% | 0.479 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -95 | 136 | 179.9 | -178 | 0 | 0 | 0 | 0 | 109.5 | I38 | I38-V42 HydrophobicContact CG1-CG2 3.9Å; I38-V42 PolarHBondContact O-N 3.12Å |
| 43 | P | 93.6 | Very high | 95.1 | Very high | 101 Ų | 101 | 106 Ų | 106 | 66% | 0.656 | 59% | 0.593 | S | S | * | * | trans | -53.3 | 149.7 | 172.8 | -26.5 | 35.5 | 0 | 0 | 0 | 112.7 | D45 | P43-D45 VanDerWaalsContact C-N 3.28Å; P43-D45 PolarHBondContact O-N 3.18Å | ||
| 44 | E | 95.7 | Very high | 95.1 | Very high | 170 Ų | 170 | 108.7 Ų | 108.7 | 79% | 0.794 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -65.3 | -34.3 | 179.1 | -175.4 | 161 | -151.6 | 0 | 0 | 112.2 | R39 | R39-E44 IonicContact NH2-OE1 3.94Š|
| 45 | D | 96.6 | Very high | 95.2 | Very high | 134 Ų | 134 | 108.1 Ų | 108.1 | 72% | 0.717 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -113 | 150 | 178.3 | -61.8 | -65.5 | 0 | 0 | 0 | 111.7 | P43 | P43-D45 VanDerWaalsContact C-N 3.28Å; P43-D45 PolarHBondContact O-N 3.18Å |
| 46 | A | 96.9 | Very high | 95.1 | Very high | 90 Ų | 90 | 104.6 Ų | 104.6 | 74% | 0.744 | 57% | 0.565 | S | S | * | * | trans | -66.8 | 149 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 47 | P | 96.5 | Very high | 95.2 | Very high | 97 Ų | 97 | 103.9 Ų | 103.9 | 63% | 0.63 | 55% | 0.548 | S | S | * | . | trans | -71.1 | 134.7 | -179.2 | 31.7 | -36.7 | 0 | 0 | 0 | 111.2 | K49 | P47-K49 WeakPolarHBondContact CB-O 3.38Å; P47-K49 PolarHBondContact O-N 2.92Å | ||
| 48 | E | 97.5 | Very high | 95.2 | Very high | 203 Ų | 203 | 104.6 Ų | 104.6 | 95% | 0.949 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -67 | -25.7 | 176.2 | -66.9 | -173.2 | 168.1 | 0 | 0 | 113 | ||
| 49 | K | 96.5 | Very high | 95.3 | Very high | 175 Ų | 175 | 105.6 Ų | 105.6 | 76% | 0.761 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -118.6 | 145.4 | 178 | -62.7 | -178 | -176.2 | 176.1 | 0 | 108.9 | P47 D51 | P47-K49 WeakPolarHBondContact CB-O 3.38Å; P47-K49 PolarHBondContact O-N 2.92Å; K49-D51 PolarHBondContact O-N 3.27Å |
| 50 | G | 94.3 | Very high | 95.3 | Very high | 83 Ų | 83 | 97.9 Ų | 97.9 | 86% | 0.856 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 135.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 51 | D | 95.3 | Very high | 95.4 | Very high | 85 Ų | 85 | 93.3 Ų | 93.3 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -81.8 | 162.1 | 175.3 | -156.4 | -6.9 | 0 | 0 | 0 | 110.9 | K49 N55 | K49-D51 PolarHBondContact O-N 3.27Å; D51-N55 PolarHBondContact OD1-ND2 3.39Å |
| 52 | S | 95.8 | Very high | 95.3 | Very high | 43 Ų | 43 | 94 Ų | 94 | 30% | 0.301 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 146.6 | 174 | 71 | 0 | 0 | 0 | 0 | 111.3 | E54 N55 I56 | S52-E54 PolarHBondContact O-N 3.5Å; S52-N55 PolarHBondContact O-N 3.34Å; S52-N55 WeakPolarHBondContact OG-CB 3.31Å; S52-N55 PolarHBondContact OG-N 3.03Å; S52-N55 PolarHBondContact OG-ND2 3.43Å; S52-N55 VanDerWaalsContact OG-ND2 3.09Å; S52-I56 WeakPolarHBondContact O-CG1 2.97Å; S52-I56 PolarHBondContact O-N 2.98Å; S52-I56 VanDerWaalsContact O-N 3.14Å |
| 53 | W | 95.7 | Very high | 95.4 | Very high | 79 Ų | 79 | 90.9 Ų | 90.9 | 30% | 0.299 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.8 | -30.2 | 173.8 | -85.6 | 95 | 0 | 0 | 0 | 112.3 | M1 W9 N55 I56 F57 | M1-W53 HydrophobicContact CE-CD2 4.24Å; M1-W53 HydrophobicContact CE-CH2 4.19Å; M1-W53 HydrophobicContact CE-CZ2 3.1Å; W9-W53 HydrophobicContact CB-CD2 4.25Å; W9-W53 HydrophobicContact CB-CE3 4.32Å; W9-W53 AromaticContact CD1-CD1 3.62Å; W9-W53 AromaticContact CD1-CG 3.6Å; W9-W53 HydrophobicContact CD2-CB 3.48Å; W9-W53 VanDerWaalsContact CD2-CB 3.48Å; W9-W53 HydrophobicContact CD2-CD2 4.25Å; W9-W53 AromaticContact CD2-CG 3.79Å; W9-W53 HydrophobicContact CD2-CG 3.79Å; W9-W53 AromaticContact CE2-CG 3.66Å; W9-W53 HydrophobicContact CE3-CB 3.89Å; W9-W53 HydrophobicContact CG-CB 4.03Å; W9-W53 AromaticContact CG-CD2 3.94Å; W9-W53 HydrophobicContact CG-CD2 3.94Å; W9-W53 HydrophobicContact CG-CE3 4.35Å; W9-W53 AromaticContact CG-CG 3.77Å; W9-W53 HydrophobicContact CG-CG 3.77Å; W9-W53 HydrophobicContact CH2-CB 3.71Å; W9-W53 HydrophobicContact CZ2-CB 3.29Å; W9-W53 HydrophobicContact CZ2-CG 4.26Å; W9-W53 HydrophobicContact CZ3-CB 3.99Å; W9-W53 AromaticContact NE1-CD1 3.53Å; W9-W53 AromaticContact NE1-CG 3.52Å; W53-N55 VanDerWaalsContact C-N 3.31Å; W53-N55 PolarHBondContact O-N 3.26Å; W53-I56 HydrophobicContact CD2-CD1 4.37Å; W53-I56 HydrophobicContact CE3-CB 4.45Å; W53-I56 HydrophobicContact CE3-CD1 4.41Å; W53-I56 HydrophobicContact CE3-CG2 4.31Å; W53-I56 HydrophobicContact CZ3-CG2 4.33Å; W53-I56 PolarHBondContact O-N 2.93Å; W53-F57 AromaticContact CE3-CD2 3.9Å; W53-F57 HydrophobicContact CE3-CD2 3.9Å; W53-F57 AromaticContact CE3-CE2 3.64Å; W53-F57 HydrophobicContact CE3-CE2 3.64Å; W53-F57 HydrophobicContact CZ3-CE2 4.1Å; W53-F57 WeakPolarHBondContact O-CB 3.4Å; W53-F57 WeakPolarHBondContact O-CD2 3.44Å; W53-F57 PolarHBondContact O-N 2.85Å |
| 54 | E | 96.7 | Very high | 95.4 | Very high | 102 Ų | 102 | 90.2 Ų | 90.2 | 48% | 0.477 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -55.4 | -46 | 171.5 | -70 | 76.2 | -171.9 | 0 | 0 | 111.5 | K8 W9 S52 A58 | K8-E54 IonicContact NZ-OE1 3.13Å; K8-E54 PolarHBondContact NZ-OE1 2.86Å; W9-E54 HydrophobicContact CH2-CG 3.88Å; W9-E54 WeakPolarHBondContact CH2-OE1 3.34Å; W9-E54 VanDerWaalsContact CZ2-CD 3.49Å; W9-E54 HydrophobicContact CZ2-CG 4.46Å; W9-E54 WeakPolarHBondContact CZ2-OE1 3.44Å; S52-E54 PolarHBondContact O-N 3.5Å; E54-A58 WeakPolarHBondContact O-CB 3.49Å; E54-A58 PolarHBondContact O-N 3.4Å |
| 55 | N | 96 | Very high | 95.4 | Very high | 79 Ų | 79 | 83.1 Ų | 83.1 | 42% | 0.422 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.6 | -45.6 | 176 | -68.7 | -16.4 | 0 | 0 | 0 | 111.5 | D51 S52 W53 F57 A58 D59 | D51-N55 PolarHBondContact OD1-ND2 3.39Å; S52-N55 PolarHBondContact O-N 3.34Å; S52-N55 WeakPolarHBondContact OG-CB 3.31Å; S52-N55 PolarHBondContact OG-N 3.03Å; S52-N55 PolarHBondContact OG-ND2 3.43Å; S52-N55 VanDerWaalsContact OG-ND2 3.09Å; W53-N55 VanDerWaalsContact C-N 3.31Å; W53-N55 PolarHBondContact O-N 3.26Å; N55-F57 VanDerWaalsContact C-N 3.34Å; N55-F57 PolarHBondContact O-N 3Å; N55-A58 WeakPolarHBondContact O-CB 3.3Å; N55-A58 PolarHBondContact O-N 2.94Å; N55-A58 VanDerWaalsContact O-N 3.1Å; N55-D59 PolarHBondContact O-N 3.34Å |
| 56 | I | 96 | Very high | 95.3 | Very high | 66 Ų | 66 | 82.1 Ų | 82.1 | 34% | 0.338 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -57.4 | -46.8 | 178.2 | -64.9 | 168.2 | 0 | 0 | 0 | 111.1 | S52 W53 D59 L60 | S52-I56 WeakPolarHBondContact O-CG1 2.97Å; S52-I56 PolarHBondContact O-N 2.98Å; S52-I56 VanDerWaalsContact O-N 3.14Å; W53-I56 HydrophobicContact CD2-CD1 4.37Å; W53-I56 HydrophobicContact CE3-CB 4.45Å; W53-I56 HydrophobicContact CE3-CD1 4.41Å; W53-I56 HydrophobicContact CE3-CG2 4.31Å; W53-I56 HydrophobicContact CZ3-CG2 4.33Å; W53-I56 PolarHBondContact O-N 2.93Å; I56-D59 PolarHBondContact O-N 3.13Å; I56-L60 WeakPolarHBondContact O-CG 3.5Å; I56-L60 PolarHBondContact O-N 3.06Å |
| 57 | F | 96.4 | Very high | 95.2 | Very high | 35 Ų | 35 | 78.7 Ų | 78.7 | 15% | 0.154 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -65.7 | -36.8 | 177 | -92 | -90.6 | 0 | 0 | 0 | 112.3 | W9 L12 M13 W53 N55 D59 L60 | W9-F57 HydrophobicContact CB-CE2 4.36Å; W9-F57 HydrophobicContact CD2-CE2 4.28Å; W9-F57 AromaticContact CE3-CD2 3.72Å; W9-F57 HydrophobicContact CE3-CD2 3.72Å; W9-F57 AromaticContact CE3-CE2 3.45Å; W9-F57 HydrophobicContact CE3-CE2 3.45Å; W9-F57 VanDerWaalsContact CE3-CE2 3.45Å; W9-F57 HydrophobicContact CE3-CZ 4.27Å; W9-F57 AromaticContact CZ3-CD2 3.86Å; W9-F57 HydrophobicContact CZ3-CD2 3.86Å; W9-F57 HydrophobicContact CZ3-CE2 4.07Å; L12-F57 HydrophobicContact CB-CE1 4.24Å; L12-F57 HydrophobicContact CB-CZ 3.99Å; L12-F57 HydrophobicContact CD2-CD1 3.88Å; L12-F57 HydrophobicContact CD2-CD2 4.25Å; L12-F57 HydrophobicContact CD2-CE1 3.69Å; L12-F57 HydrophobicContact CD2-CE2 4.09Å; L12-F57 HydrophobicContact CD2-CG 4.15Å; L12-F57 HydrophobicContact CD2-CZ 3.79Å; L12-F57 HydrophobicContact CG-CD1 4.26Å; L12-F57 HydrophobicContact CG-CE1 3.68Å; L12-F57 HydrophobicContact CG-CZ 3.9Å; M13-F57 HydrophobicContact CB-CZ 4.1Å; M13-F57 HydrophobicContact CE-CE1 3.92Å; M13-F57 HydrophobicContact CE-CE2 4.35Å; M13-F57 HydrophobicContact CE-CZ 3.72Å; M13-F57 HydrophobicContact SD-CE1 4.49Å; W53-F57 AromaticContact CE3-CD2 3.9Å; W53-F57 HydrophobicContact CE3-CD2 3.9Å; W53-F57 AromaticContact CE3-CE2 3.64Å; W53-F57 HydrophobicContact CE3-CE2 3.64Å; W53-F57 HydrophobicContact CZ3-CE2 4.1Å; W53-F57 WeakPolarHBondContact O-CB 3.4Å; W53-F57 WeakPolarHBondContact O-CD2 3.44Å; W53-F57 PolarHBondContact O-N 2.85Å; N55-F57 VanDerWaalsContact C-N 3.34Å; N55-F57 PolarHBondContact O-N 3Å; F57-D59 VanDerWaalsContact C-N 3.25Å; F57-D59 PolarHBondContact O-N 3.5Å; F57-L60 HydrophobicContact CD1-CD1 3.73Å; F57-L60 HydrophobicContact CE1-CD1 4.17Å; F57-L60 HydrophobicContact CG-CD1 4.21Å; F57-L60 PolarHBondContact O-N 3.2Å |
| 58 | A | 95.1 | Very high | 95.3 | Very high | 72 Ų | 72 | 76 Ų | 76 | 60% | 0.595 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -64 | -31.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | E54 N55 | E54-A58 WeakPolarHBondContact O-CB 3.49Å; E54-A58 PolarHBondContact O-N 3.4Å; N55-A58 WeakPolarHBondContact O-CB 3.3Å; N55-A58 PolarHBondContact O-N 2.94Å; N55-A58 VanDerWaalsContact O-N 3.1Å |
| 59 | D | 95.5 | Very high | 95.3 | Very high | 90 Ų | 90 | 68.8 Ų | 68.8 | 48% | 0.481 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -80 | -23.2 | 179.8 | -74 | -21.6 | 0 | 0 | 0 | 113.8 | N55 I56 F57 E61 N62 A63 | N55-D59 PolarHBondContact O-N 3.34Å; I56-D59 PolarHBondContact O-N 3.13Å; F57-D59 VanDerWaalsContact C-N 3.25Å; F57-D59 PolarHBondContact O-N 3.5Å; D59-E61 PolarHBondContact O-N 2.99Å; D59-N62 PolarHBondContact O-N 3.28Å; D59-A63 HydrophobicContact CB-CB 4.27Å; D59-A63 VanDerWaalsContact O-CB 3.24Å; D59-A63 WeakPolarHBondContact O-CB 3.36Å; D59-A63 PolarHBondContact O-N 3.25Å |
| 60 | L | 95 | Very high | 95.3 | Very high | 31 Ų | 31 | 60.9 Ų | 60.9 | 16% | 0.162 | 35% | 0.347 | C | S | . | . | I | π-helix | trans | -50.6 | -49 | -170.9 | -71.1 | 176.3 | 0 | 0 | 0 | 113.6 | M13 I56 F57 I64 M65 | M13-L60 HydrophobicContact CE-CD1 3.97Å; I56-L60 WeakPolarHBondContact O-CG 3.5Å; I56-L60 PolarHBondContact O-N 3.06Å; F57-L60 HydrophobicContact CD1-CD1 3.73Å; F57-L60 HydrophobicContact CE1-CD1 4.17Å; F57-L60 HydrophobicContact CG-CD1 4.21Å; F57-L60 PolarHBondContact O-N 3.2Å; L60-I64 WeakPolarHBondContact O-CA 3.49Å; L60-I64 VanDerWaalsContact O-CB 3.3Å; L60-I64 WeakPolarHBondContact O-CB 3.34Å; L60-I64 PolarHBondContact O-N 3.44Å; L60-M65 PolarHBondContact O-N 3.32Å |
| 61 | E | 94.3 | Very high | 95.5 | Very high | 78 Ų | 78 | 62.1 Ų | 62.1 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | I | π-helix | trans | -68 | -44.9 | -176.9 | -74 | -65.8 | 160.8 | 0 | 0 | 112.3 | Y16 R27 D59 M65 K66 | Y16-E61 WeakPolarHBondContact CE2-OE1 3.18Å; Y16-E61 PolarHBondContact OH-OE1 3.37Å; R27-E61 IonicContact CZ-OE1 2.76Å; R27-E61 IonicContact CZ-OE2 3.16Å; R27-E61 IonicContact NH1-OE1 3.44Å; R27-E61 IonicContact NH1-OE2 2.75Å; R27-E61 PolarHBondContact NH1-OE2 2.84Å; R27-E61 IonicContact NH2-OE1 3.8Å; R27-E61 PolarHBondContact NH2-OE1 3.39Å; R27-E61 IonicContact NH2-OE2 2.78Å; R27-E61 PolarHBondContact NH2-OE2 3.2Å; R27-E61 VanDerWaalsContact NH2-OE2 3.16Å; D59-E61 PolarHBondContact O-N 2.99Å; E61-M65 PolarHBondContact O-N 2.76Å; E61-M65 WeakPolarHBondContact OE2-CB 3.46Å; E61-K66 PolarHBondContact O-N 3.49Å |
| 62 | N | 90.7 | Very high | 95.5 | Very high | 82 Ų | 82 | 60.4 Ų | 60.4 | 44% | 0.439 | 32% | 0.315 | S | S | . | . | I | π-helix | trans | -80.3 | -41.4 | -174 | -174.3 | 40.8 | 0 | 0 | 0 | 112.6 | L41 D59 K66 | L41-N62 WeakPolarHBondContact CD1-O 3.35Å; D59-N62 PolarHBondContact O-N 3.28Å; N62-K66 WeakPolarHBondContact O-CB 3.43Å |
| 63 | A | 92.5 | Very high | 95.6 | Very high | 14 Ų | 14 | 58.8 Ų | 58.8 | 12% | 0.116 | 30% | 0.303 | C | S | . | . | I | π-helix | trans | -83.2 | -39.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D59 | D59-A63 HydrophobicContact CB-CB 4.27Å; D59-A63 VanDerWaalsContact O-CB 3.24Å; D59-A63 WeakPolarHBondContact O-CB 3.36Å; D59-A63 PolarHBondContact O-N 3.25Å |
| 64 | I | 95.1 | Very high | 95.5 | Very high | 86 Ų | 86 | 58.4 Ų | 58.4 | 44% | 0.441 | 31% | 0.31 | S | S | . | . | I | π-helix | trans | -104.9 | -66.2 | -174.1 | -52.3 | -58.3 | 0 | 0 | 0 | 110.9 | L60 K66 G67 V68 | L60-I64 WeakPolarHBondContact O-CA 3.49Å; L60-I64 VanDerWaalsContact O-CB 3.3Å; L60-I64 WeakPolarHBondContact O-CB 3.34Å; L60-I64 PolarHBondContact O-N 3.44Å; I64-K66 VanDerWaalsContact C-N 3.27Å; I64-K66 PolarHBondContact O-N 3.24Å; I64-G67 PolarHBondContact O-N 2.85Å; I64-V68 HydrophobicContact CG2-CG2 4.11Å; I64-V68 WeakPolarHBondContact O-CG2 3.3Å; I64-V68 PolarHBondContact O-N 2.98Å |
| 65 | M | 95.6 | Very high | 95.4 | Very high | 22 Ų | 22 | 59.9 Ų | 59.9 | 11% | 0.108 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -62.9 | -31.9 | -168 | -61.5 | -60.4 | -83.1 | 0 | 0 | 113.9 | Y16 Y20 L60 E61 G67 V68 | Y16-M65 WeakPolarHBondContact OH-CG 3.26Å; Y20-M65 HydrophobicContact CD2-CE 3.32Å; Y20-M65 HydrophobicContact CE2-CE 3.35Å; Y20-M65 HydrophobicContact CG-CE 4.11Å; L60-M65 PolarHBondContact O-N 3.32Å; E61-M65 PolarHBondContact O-N 2.76Å; E61-M65 WeakPolarHBondContact OE2-CB 3.46Å; M65-G67 PolarHBondContact O-N 3.4Å; M65-G67 VanDerWaalsContact O-N 3.16Å; M65-V68 PolarHBondContact O-N 3.15Å; M65-V68 VanDerWaalsContact O-N 3.09Å; M65-V68 HydrophobicContact SD-CG2 4.15Å |
| 66 | K | 93.7 | Very high | 95.5 | Very high | 112 Ų | 112 | 57.4 Ų | 57.4 | 49% | 0.487 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -53.8 | -31.6 | 174.1 | -174.9 | 178.8 | -179.8 | 179.6 | 0 | 113.4 | P31 V33 E61 N62 I64 | P31-K66 WeakPolarHBondContact CB-O 3.35Å; V33-K66 HydrophobicContact CG1-CG 4.3Å; E61-K66 PolarHBondContact O-N 3.49Å; N62-K66 WeakPolarHBondContact O-CB 3.43Å; I64-K66 VanDerWaalsContact C-N 3.27Å; I64-K66 PolarHBondContact O-N 3.24Å |
| 67 | G | 96.1 | Very high | 95.4 | Very high | 18 Ų | 18 | 62.1 Ų | 62.1 | 19% | 0.186 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -106.4 | 7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y37 I64 M65 | Y37-G67 WeakPolarHBondContact OH-CA 3.35Å; I64-G67 PolarHBondContact O-N 2.85Å; M65-G67 PolarHBondContact O-N 3.4Å; M65-G67 VanDerWaalsContact O-N 3.16Å |
| 68 | V | 97.1 | Very high | 95.4 | Very high | 42 Ų | 42 | 63.3 Ų | 63.3 | 26% | 0.255 | 33% | 0.334 | S | S | . | . | trans | -78.8 | 124.5 | 177.6 | 169.1 | 0 | 0 | 0 | 0 | 109.6 | I64 M65 H70 | I64-V68 HydrophobicContact CG2-CG2 4.11Å; I64-V68 WeakPolarHBondContact O-CG2 3.3Å; I64-V68 PolarHBondContact O-N 2.98Å; M65-V68 PolarHBondContact O-N 3.15Å; M65-V68 VanDerWaalsContact O-N 3.09Å; M65-V68 HydrophobicContact SD-CG2 4.15Å; V68-H70 PolarHBondContact O-CD2 2.77Å; V68-H70 VanDerWaalsContact O-CD2 3.3Å; V68-H70 PolarHBondContact O-N 3.05Å; V68-H70 PolarHBondContact O-NE2 2.97Å | ||
| 69 | T | 97.9 | Very high | 95.4 | Very high | 50 Ų | 50 | 69 Ų | 69 | 31% | 0.307 | 34% | 0.341 | S | S | . | . | trans | -73.8 | 119.8 | 158.2 | -62.7 | 0 | 0 | 0 | 0 | 108.2 | P29 P31 W71 F76 | P29-T69 CarbonylContact O-C 3.55Å; P31-T69 WeakPolarHBondContact CD-OG1 3.41Å; T69-W71 PolarHBondContact O-N 3.43Å; T69-W71 VanDerWaalsContact O-N 3.08Å; T69-F76 HydrophobicContact CG2-CD2 4.03Å; T69-F76 HydrophobicContact CG2-CE2 3.4Å; T69-F76 HydrophobicContact CG2-CZ 4.14Å | ||
| 70 | H | 97.4 | Very high | 95.5 | Very high | 9 Ų | 9 | 65.8 Ų | 65.8 | 4% | 0.042 | 32% | 0.323 | C | S | . | . | trans | -86.3 | 82 | -173.6 | -65.7 | -74.5 | 0 | 0 | 0 | 111.6 | Y20 L24 R27 K28 P29 V68 H72 H73 | Y20-H70 AromaticContact CE2-CE1 3.69Å; Y20-H70 AromaticContact CE2-ND1 3.37Å; Y20-H70 WeakPolarHBondContact CE2-ND1 3.45Å; Y20-H70 AromaticContact CZ-ND1 3.58Å; Y20-H70 PolarHBondContact OH-ND1 3.18Å; L24-H70 HydrophobicContact CD1-CB 3.92Å; R27-H70 VanDerWaalsContact CD-CE1 3.48Å; R27-H70 WeakPolarHBondContact CD-CE1 3.42Å; K28-H70 PolarHBondContact O-CD2 3.32Å; P29-H70 PolarHBondContact O-N 2.84Å; V68-H70 PolarHBondContact O-CD2 2.77Å; V68-H70 VanDerWaalsContact O-CD2 3.3Å; V68-H70 PolarHBondContact O-N 3.05Å; V68-H70 PolarHBondContact O-NE2 2.97Å; H70-H72 PolarHBondContact O-N 2.97Å; H70-H73 HydrophobicContact CB-CB 3.98Å; H70-H73 WeakPolarHBondContact O-CB 3.38Å; H70-H73 PolarHBondContact O-N 3.31Å | ||
| 71 | W | 97.3 | Very high | 95.4 | Very high | 109 Ų | 109 | 66.8 Ų | 66.8 | 41% | 0.413 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -22 | -176.1 | -76.6 | 80.1 | 0 | 0 | 0 | 115.8 | T69 F76 Y79 T82 | T69-W71 PolarHBondContact O-N 3.43Å; T69-W71 VanDerWaalsContact O-N 3.08Å; W71-F76 AromaticContact CD2-CE1 3.76Å; W71-F76 HydrophobicContact CD2-CE1 3.76Å; W71-F76 AromaticContact CD2-CZ 3.81Å; W71-F76 HydrophobicContact CD2-CZ 3.81Å; W71-F76 HydrophobicContact CE3-CD1 4.4Å; W71-F76 AromaticContact CE3-CE1 3.44Å; W71-F76 HydrophobicContact CE3-CE1 3.44Å; W71-F76 VanDerWaalsContact CE3-CE1 3.44Å; W71-F76 AromaticContact CE3-CZ 3.86Å; W71-F76 HydrophobicContact CE3-CZ 3.86Å; W71-F76 HydrophobicContact CG-CE1 4.25Å; W71-F76 HydrophobicContact CG-CZ 4.32Å; W71-F76 HydrophobicContact CH2-CZ 4.43Å; W71-F76 HydrophobicContact CZ2-CZ 4.39Å; W71-F76 AromaticContact CZ3-CE1 3.92Å; W71-F76 HydrophobicContact CZ3-CE1 3.92Å; W71-F76 HydrophobicContact CZ3-CZ 4.18Å; W71-F76 WeakPolarHBondContact O-CD1 3.32Å; W71-Y79 AromaticContact CH2-CD2 3.34Å; W71-Y79 HydrophobicContact CH2-CD2 3.34Å; W71-Y79 AromaticContact CH2-CE2 3.89Å; W71-Y79 HydrophobicContact CH2-CE2 3.89Å; W71-Y79 HydrophobicContact CH2-CG 4.08Å; W71-Y79 HydrophobicContact CZ2-CD2 4.06Å; W71-Y79 HydrophobicContact CZ2-CE2 4.19Å; W71-Y79 AromaticContact CZ3-CD2 3.85Å; W71-Y79 HydrophobicContact CZ3-CD2 3.85Å; W71-Y79 HydrophobicContact CZ3-CG 4.44Å; W71-T82 HydrophobicContact CB-CG2 3.81Å; W71-T82 HydrophobicContact CD2-CG2 4.43Å; W71-T82 HydrophobicContact CE3-CG2 4.13Å; W71-T82 HydrophobicContact CG-CG2 4.34Å |
| 72 | H | 95.6 | Very high | 95.4 | Very high | 50 Ų | 50 | 64.7 Ų | 64.7 | 23% | 0.231 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 3.2 | 178.3 | -61.8 | -64.6 | 0 | 0 | 0 | 113.5 | W21 L24 H70 T82 N84 | W21-H72 HydrophobicContact CH2-CB 3.49Å; W21-H72 VanDerWaalsContact CH2-CB 3.49Å; W21-H72 AromaticContact CH2-CD2 3.43Å; W21-H72 VanDerWaalsContact CH2-CD2 3.43Å; W21-H72 WeakPolarHBondContact CH2-CD2 3.32Å; W21-H72 AromaticContact CH2-CE1 3.93Å; W21-H72 AromaticContact CH2-CG 3.21Å; W21-H72 AromaticContact CH2-ND1 3.56Å; W21-H72 AromaticContact CH2-NE2 3.88Å; W21-H72 HydrophobicContact CZ2-CB 4.25Å; W21-H72 AromaticContact CZ2-CD2 3.52Å; W21-H72 AromaticContact CZ2-CG 3.81Å; W21-H72 AromaticContact CZ2-NE2 3.92Å; W21-H72 HydrophobicContact CZ3-CB 3.63Å; W21-H72 AromaticContact CZ3-CG 3.89Å; L24-H72 HydrophobicContact CD2-CB 3.77Å; L24-H72 VanDerWaalsContact CD2-O 3.32Å; L24-H72 WeakPolarHBondContact CD2-O 3.43Å; H70-H72 PolarHBondContact O-N 2.97Å; H72-T82 PolarHBondContact CE1-O 3.42Å; H72-N84 WeakPolarHBondContact CE1-CB 3.46Å; H72-N84 VanDerWaalsContact NE2-CB 3.27Å; H72-N84 WeakPolarHBondContact NE2-CB 3.43Å; H72-N84 PolarHBondContact NE2-ND2 2.93Å |
| 73 | H | 97.3 | Very high | 95.6 | Very high | 8 Ų | 8 | 61 Ų | 61 | 4% | 0.037 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -61.9 | 136.7 | 177.8 | -174.2 | -78.7 | 0 | 0 | 0 | 109.6 | L24 R27 P29 H70 H75 F76 | L24-H73 HydrophobicContact CD1-CB 4.41Å; L24-H73 HydrophobicContact CG-CB 4.38Å; L24-H73 PolarHBondContact O-CD2 3.29Å; R27-H73 PolarHBondContact O-CD2 3.02Å; R27-H73 PolarHBondContact O-NE2 3.32Å; R27-H73 VanDerWaalsContact O-NE2 3.09Å; P29-H73 HydrophobicContact CB-CB 4.2Å; H70-H73 HydrophobicContact CB-CB 3.98Å; H70-H73 WeakPolarHBondContact O-CB 3.38Å; H70-H73 PolarHBondContact O-N 3.31Å; H73-H75 AromaticContact CE1-CG 3.72Å; H73-H75 AromaticContact CE1-ND1 3.65Å; H73-H75 AromaticContact ND1-CG 3.99Å; H73-H75 PolarHBondContact ND1-N 2.66Å; H73-H75 PolarHBondContact O-N 3.34Å; H73-F76 HydrophobicContact CB-CB 4.23Å; H73-F76 WeakPolarHBondContact O-CB 3.42Å; H73-F76 PolarHBondContact O-N 3.06Å |
| 74 | P | 94.8 | Very high | 95.7 | Very high | 71 Ų | 71 | 61.7 Ų | 61.7 | 46% | 0.461 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -17.6 | -177.3 | -26.7 | 34.6 | 0 | 0 | 0 | 115.7 | P25 F77 | P25-P74 HydrophobicContact CB-CG 4.42Å; P25-P74 HydrophobicContact CG-CG 4.03Å; P74-F77 WeakPolarHBondContact O-CZ 3.09Å |
| 75 | H | 95.1 | Very high | 95.8 | Very high | 134 Ų | 134 | 57.9 Ų | 57.9 | 62% | 0.62 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | 11.3 | 176.8 | -52.8 | 157.9 | 0 | 0 | 0 | 114.2 | P29 H73 F77 | P29-H75 HydrophobicContact CG-CB 4.3Å; H73-H75 AromaticContact CE1-CG 3.72Å; H73-H75 AromaticContact CE1-ND1 3.65Å; H73-H75 AromaticContact ND1-CG 3.99Å; H73-H75 PolarHBondContact ND1-N 2.66Å; H73-H75 PolarHBondContact O-N 3.34Å; H75-F77 VanDerWaalsContact CA-CE2 3.48Å; H75-F77 HydrophobicContact CB-CE2 4.25Å; H75-F77 WeakPolarHBondContact O-CD2 3.35Å |
| 76 | F | 96.2 | Very high | 95.9 | Very high | 27 Ų | 27 | 62.9 Ų | 62.9 | 12% | 0.118 | 31% | 0.306 | C | S | . | . | trans | -88.5 | 111.3 | 172.3 | -174.9 | -91.1 | 0 | 0 | 0 | 109.6 | P29 T69 W71 H73 S78 Y79 | P29-F76 HydrophobicContact CB-CB 4.5Å; T69-F76 HydrophobicContact CG2-CD2 4.03Å; T69-F76 HydrophobicContact CG2-CE2 3.4Å; T69-F76 HydrophobicContact CG2-CZ 4.14Å; W71-F76 AromaticContact CD2-CE1 3.76Å; W71-F76 HydrophobicContact CD2-CE1 3.76Å; W71-F76 AromaticContact CD2-CZ 3.81Å; W71-F76 HydrophobicContact CD2-CZ 3.81Å; W71-F76 HydrophobicContact CE3-CD1 4.4Å; W71-F76 AromaticContact CE3-CE1 3.44Å; W71-F76 HydrophobicContact CE3-CE1 3.44Å; W71-F76 VanDerWaalsContact CE3-CE1 3.44Å; W71-F76 AromaticContact CE3-CZ 3.86Å; W71-F76 HydrophobicContact CE3-CZ 3.86Å; W71-F76 HydrophobicContact CG-CE1 4.25Å; W71-F76 HydrophobicContact CG-CZ 4.32Å; W71-F76 HydrophobicContact CH2-CZ 4.43Å; W71-F76 HydrophobicContact CZ2-CZ 4.39Å; W71-F76 AromaticContact CZ3-CE1 3.92Å; W71-F76 HydrophobicContact CZ3-CE1 3.92Å; W71-F76 HydrophobicContact CZ3-CZ 4.18Å; W71-F76 WeakPolarHBondContact O-CD1 3.32Å; H73-F76 HydrophobicContact CB-CB 4.23Å; H73-F76 WeakPolarHBondContact O-CB 3.42Å; H73-F76 PolarHBondContact O-N 3.06Å; F76-S78 WeakPolarHBondContact CE1-O 3.41Å; F76-Y79 HydrophobicContact CZ-CD2 4.27Å | ||
| 77 | F | 95.1 | Very high | 96.1 | Very high | 165 Ų | 165 | 58 Ų | 58 | 72% | 0.724 | 29% | 0.287 | S | S | * | . | trans | -124.1 | 14.6 | -176.1 | -56.8 | -71.6 | 0 | 0 | 0 | 113.1 | P74 H75 | P74-F77 WeakPolarHBondContact O-CZ 3.09Å; H75-F77 VanDerWaalsContact CA-CE2 3.48Å; H75-F77 HydrophobicContact CB-CE2 4.25Å; H75-F77 WeakPolarHBondContact O-CD2 3.35Å | ||
| 78 | S | 95.3 | Very high | 96.2 | Very high | 60 Ų | 60 | 57.2 Ų | 57.2 | 42% | 0.42 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -80 | 149.8 | 177.9 | -58.8 | 0 | 0 | 0 | 0 | 111.3 | F76 | F76-S78 WeakPolarHBondContact CE1-O 3.41Š|
| 79 | Y | 96.4 | Very high | 96.2 | Very high | 191 Ų | 191 | 56.7 Ų | 56.7 | 75% | 0.749 | 27% | 0.273 | S | S | * | . | S | Bend | trans | 57.6 | -145.1 | 178.6 | -46.4 | -72 | 0 | 0 | 0 | 112.9 | W71 F76 | W71-Y79 AromaticContact CH2-CD2 3.34Å; W71-Y79 HydrophobicContact CH2-CD2 3.34Å; W71-Y79 AromaticContact CH2-CE2 3.89Å; W71-Y79 HydrophobicContact CH2-CE2 3.89Å; W71-Y79 HydrophobicContact CH2-CG 4.08Å; W71-Y79 HydrophobicContact CZ2-CD2 4.06Å; W71-Y79 HydrophobicContact CZ2-CE2 4.19Å; W71-Y79 AromaticContact CZ3-CD2 3.85Å; W71-Y79 HydrophobicContact CZ3-CD2 3.85Å; W71-Y79 HydrophobicContact CZ3-CG 4.44Å; F76-Y79 HydrophobicContact CZ-CD2 4.27Å |
| 80 | F | 96.3 | Very high | 96.2 | Very high | 22 Ų | 22 | 58.7 Ų | 58.7 | 10% | 0.096 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -99.6 | 157.8 | 163.4 | -79.4 | -55.3 | 0 | 0 | 0 | 110 | Y267 K296 V399 | F80-Y267 HydrophobicContact CB-CD2 4.32Å; F80-Y267 AromaticContact CD1-CD1 3.83Å; F80-Y267 HydrophobicContact CD1-CD1 3.83Å; F80-Y267 AromaticContact CD1-CD2 3.41Å; F80-Y267 HydrophobicContact CD1-CD2 3.41Å; F80-Y267 VanDerWaalsContact CD1-CD2 3.41Å; F80-Y267 HydrophobicContact CD1-CE1 4.06Å; F80-Y267 AromaticContact CD1-CE2 3.66Å; F80-Y267 HydrophobicContact CD1-CE2 3.66Å; F80-Y267 AromaticContact CD1-CG 3.49Å; F80-Y267 HydrophobicContact CD1-CG 3.49Å; F80-Y267 VanDerWaalsContact CD1-CG 3.49Å; F80-Y267 AromaticContact CD1-CZ 3.98Å; F80-Y267 HydrophobicContact CD2-CG 4.21Å; F80-Y267 AromaticContact CE1-CD1 3.17Å; F80-Y267 HydrophobicContact CE1-CD1 3.17Å; F80-Y267 AromaticContact CE1-CD2 3.71Å; F80-Y267 HydrophobicContact CE1-CD2 3.71Å; F80-Y267 AromaticContact CE1-CE1 3.46Å; F80-Y267 HydrophobicContact CE1-CE1 3.46Å; F80-Y267 VanDerWaalsContact CE1-CE1 3.46Å; F80-Y267 AromaticContact CE1-CE2 3.96Å; F80-Y267 HydrophobicContact CE1-CE2 3.96Å; F80-Y267 AromaticContact CE1-CG 3.3Å; F80-Y267 HydrophobicContact CE1-CG 3.3Å; F80-Y267 AromaticContact CE1-CZ 3.84Å; F80-Y267 HydrophobicContact CE2-CD1 4.34Å; F80-Y267 HydrophobicContact CE2-CG 4.04Å; F80-Y267 AromaticContact CG-CD2 3.88Å; F80-Y267 HydrophobicContact CG-CD2 3.88Å; F80-Y267 HydrophobicContact CG-CE2 4.48Å; F80-Y267 AromaticContact CG-CG 3.95Å; F80-Y267 HydrophobicContact CG-CG 3.95Å; F80-Y267 AromaticContact CZ-CD1 3.49Å; F80-Y267 HydrophobicContact CZ-CD1 3.49Å; F80-Y267 VanDerWaalsContact CZ-CD1 3.49Å; F80-Y267 HydrophobicContact CZ-CD2 4.4Å; F80-Y267 HydrophobicContact CZ-CE1 4.18Å; F80-Y267 AromaticContact CZ-CG 3.61Å; F80-Y267 HydrophobicContact CZ-CG 3.61Å; F80-K296 HydrophobicContact CB-CD 4.39Å; F80-V399 HydrophobicContact CD1-CG2 4.21Å; F80-V399 HydrophobicContact CE1-CG2 3.57Å |
| 81 | P | 94.2 | Very high | 96.3 | Very high | 53 Ų | 53 | 58.3 Ų | 58.3 | 34% | 0.344 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 152.2 | 174.1 | 27.6 | -35.5 | 0 | 0 | 0 | 111.3 | Y267 K296 | P81-Y267 HydrophobicContact CG-CE2 4.22Å; P81-K296 CarbonylContact C-O 3.58Å; P81-K296 CarbonylContact O-C 3.27Å; P81-K296 VanDerWaalsContact O-CA 3.28Å; P81-K296 WeakPolarHBondContact O-CA 3.43Å |
| 82 | T | 94.7 | Very high | 96.3 | Very high | 33 Ų | 33 | 53.8 Ų | 53.8 | 20% | 0.202 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -99.6 | 128.6 | 161 | -176.8 | 0 | 0 | 0 | 0 | 108.5 | W71 H72 H295 K296 | W71-T82 HydrophobicContact CB-CG2 3.81Å; W71-T82 HydrophobicContact CD2-CG2 4.43Å; W71-T82 HydrophobicContact CE3-CG2 4.13Å; W71-T82 HydrophobicContact CG-CG2 4.34Å; H72-T82 PolarHBondContact CE1-O 3.42Å; T82-H295 CarbonylContact C-O 3.58Å; T82-H295 WeakPolarHBondContact CA-O 3.47Å; T82-K296 CarbonylContact C-O 3.6Å |
| 83 | G | 93.4 | Very high | 96.4 | Very high | 5 Ų | 5 | 55.4 Ų | 55.4 | 5% | 0.052 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 140.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | H295 K296 V300 N301 | G83-H295 PolarHBondContact N-O 3.22Å; G83-K296 PolarHBondContact N-O 3.34Å; G83-V300 CarbonylContact C-O 3.55Å; G83-V300 WeakPolarHBondContact CA-O 3.22Å; G83-V300 CarbonylContact O-C 3.33Å; G83-N301 WeakPolarHBondContact O-CA 3.45Å |
| 84 | N | 95.1 | Very high | 96.5 | Very high | 29 Ų | 29 | 58.9 Ų | 58.9 | 16% | 0.155 | 29% | 0.291 | C | S | . | . | trans | -160.6 | 151.1 | 168.5 | -159.7 | -4.4 | 0 | 0 | 0 | 109 | W21 H72 I89 M299 | W21-N84 HydrophobicContact CH2-CB 4.21Å; W21-N84 HydrophobicContact CZ2-CB 4.12Å; W21-N84 WeakPolarHBondContact CZ2-ND2 3.5Å; H72-N84 WeakPolarHBondContact CE1-CB 3.46Å; H72-N84 VanDerWaalsContact NE2-CB 3.27Å; H72-N84 WeakPolarHBondContact NE2-CB 3.43Å; H72-N84 PolarHBondContact NE2-ND2 2.93Å; N84-I89 WeakPolarHBondContact OD1-CG1 3.42Å; N84-M299 CarbonylContact C-O 3.59Å | ||
| 85 | S | 97.1 | Very high | 96.6 | Very high | 6 Ų | 6 | 55.6 Ų | 55.6 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | trans | -161.9 | 155.5 | 177.1 | 62.8 | 0 | 0 | 0 | 0 | 110.9 | S88 I89 M299 Y360 | S85-S88 WeakPolarHBondContact O-CA 3.35Å; S85-S88 WeakPolarHBondContact O-CB 3.5Å; S85-S88 PolarHBondContact O-N 3.48Å; S85-S88 WeakPolarHBondContact OG-CB 3.28Å; S85-S88 PolarHBondContact OG-N 3.23Å; S85-I89 WeakPolarHBondContact O-CG1 3.41Å; S85-I89 PolarHBondContact O-N 3.45Å; S85-M299 VanDerWaalsContact CB-O 3.25Å; S85-M299 WeakPolarHBondContact CB-O 3.25Å; S85-M299 PolarHBondContact N-O 3.39Å; S85-M299 PolarHBondContact OG-O 3.31Å; S85-Y360 WeakPolarHBondContact CB-OH 3.47Å | ||
| 86 | Y | 97.4 | Very high | 96.8 | Very high | 126 Ų | 126 | 54.4 Ų | 54.4 | 49% | 0.494 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -53.3 | -47.6 | 175.6 | -52.9 | -33.9 | 0 | 0 | 0 | 113.8 | W21 S88 I89 I90 | W21-Y86 HydrophobicContact CB-CE1 4.37Å; W21-Y86 HydrophobicContact CD2-CE1 4.42Å; W21-Y86 HydrophobicContact CG-CE1 4.11Å; Y86-S88 VanDerWaalsContact C-N 3.27Å; Y86-S88 PolarHBondContact O-N 2.93Å; Y86-I89 PolarHBondContact O-N 2.92Å; Y86-I90 VanDerWaalsContact O-CG1 3.31Å; Y86-I90 WeakPolarHBondContact O-CG1 3.09Å; Y86-I90 PolarHBondContact O-N 3.5Å |
| 87 | P | 98.2 | Very high | 96.8 | Very high | 11 Ų | 11 | 56.4 Ų | 56.4 | 7% | 0.071 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.5 | -32.7 | 175.1 | 23.5 | -34.9 | 0 | 0 | 0 | 113.4 | I90 G91 F355 V359 Y360 | P87-I90 PolarHBondContact O-N 2.83Å; P87-G91 PolarHBondContact O-N 2.9Å; P87-F355 HydrophobicContact CB-CB 4.22Å; P87-F355 WeakPolarHBondContact O-CB 3.29Å; P87-V359 HydrophobicContact CB-CB 3.96Å; P87-V359 HydrophobicContact CB-CG1 4.28Å; P87-V359 HydrophobicContact CB-CG2 3.87Å; P87-V359 HydrophobicContact CG-CB 4.07Å; P87-V359 HydrophobicContact CG-CG1 4.06Å; P87-Y360 HydrophobicContact CG-CD2 4.13Å; P87-Y360 HydrophobicContact CG-CE2 3.45Å; P87-Y360 VanDerWaalsContact CG-CE2 3.45Å |
| 88 | S | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.3 | -41 | 174.6 | -172.2 | 0 | 0 | 0 | 0 | 112.3 | S85 Y86 G91 D92 N301 K352 T356 | S85-S88 WeakPolarHBondContact O-CA 3.35Å; S85-S88 WeakPolarHBondContact O-CB 3.5Å; S85-S88 PolarHBondContact O-N 3.48Å; S85-S88 WeakPolarHBondContact OG-CB 3.28Å; S85-S88 PolarHBondContact OG-N 3.23Å; Y86-S88 VanDerWaalsContact C-N 3.27Å; Y86-S88 PolarHBondContact O-N 2.93Å; S88-G91 PolarHBondContact O-N 3.41Å; S88-D92 PolarHBondContact O-N 2.85Å; S88-N301 VanDerWaalsContact OG-CB 3.26Å; S88-N301 WeakPolarHBondContact OG-CB 3.35Å; S88-N301 PolarHBondContact OG-N 3.01Å; S88-K352 WeakPolarHBondContact O-CB 3.37Å; S88-K352 WeakPolarHBondContact OG-CB 3.43Å; S88-T356 WeakPolarHBondContact CB-OG1 3.31Å |
| 89 | I | 97.8 | Very high | 97 | Very high | 32 Ų | 32 | 52.5 Ų | 52.5 | 16% | 0.164 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.7 | -46.8 | 175.7 | -66 | 167.3 | 0 | 0 | 0 | 109.6 | V17 N84 S85 Y86 G91 D92 I93 | V17-I89 HydrophobicContact CG1-CD1 4.42Å; N84-I89 WeakPolarHBondContact OD1-CG1 3.42Å; S85-I89 WeakPolarHBondContact O-CG1 3.41Å; S85-I89 PolarHBondContact O-N 3.45Å; Y86-I89 PolarHBondContact O-N 2.92Å; I89-G91 VanDerWaalsContact C-N 3.29Å; I89-G91 PolarHBondContact O-N 3.45Å; I89-D92 PolarHBondContact O-N 3.14Å; I89-D92 VanDerWaalsContact O-N 3.16Å; I89-I93 HydrophobicContact CG2-CD1 4.15Å; I89-I93 WeakPolarHBondContact O-CG1 3.09Å; I89-I93 PolarHBondContact O-N 2.84Å |
| 90 | I | 98.2 | Very high | 96.9 | Very high | 92 Ų | 92 | 45.2 Ų | 45.2 | 47% | 0.472 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63 | -37 | 178.5 | -62.2 | 167.3 | 0 | 0 | 0 | 111.3 | Y86 P87 I93 L94 F355 | Y86-I90 VanDerWaalsContact O-CG1 3.31Å; Y86-I90 WeakPolarHBondContact O-CG1 3.09Å; Y86-I90 PolarHBondContact O-N 3.5Å; P87-I90 PolarHBondContact O-N 2.83Å; I90-I93 PolarHBondContact O-N 3.45Å; I90-L94 PolarHBondContact O-N 3.13Å; I90-L94 VanDerWaalsContact O-N 3.17Å; I90-F355 HydrophobicContact CB-CD2 4.43Å; I90-F355 HydrophobicContact CG2-CD2 4.21Å; I90-F355 HydrophobicContact CG2-CE2 3.95Å |
| 91 | G | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | P87 S88 I89 L94 S95 L351 | P87-G91 PolarHBondContact O-N 2.9Å; S88-G91 PolarHBondContact O-N 3.41Å; I89-G91 VanDerWaalsContact C-N 3.29Å; I89-G91 PolarHBondContact O-N 3.45Å; G91-L94 PolarHBondContact O-N 3.32Å; G91-S95 PolarHBondContact O-N 3.24Å; G91-L351 WeakPolarHBondContact O-CD2 3.49Å |
| 92 | D | 98.1 | Very high | 97 | Very high | 15 Ų | 15 | 46 Ų | 46 | 8% | 0.08 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.7 | -38.1 | 175.5 | -85 | -26.8 | 0 | 0 | 0 | 111.8 | S88 I89 L94 S95 D96 R347 K352 | S88-D92 PolarHBondContact O-N 2.85Å; I89-D92 PolarHBondContact O-N 3.14Å; I89-D92 VanDerWaalsContact O-N 3.16Å; D92-L94 VanDerWaalsContact C-N 3.29Å; D92-L94 PolarHBondContact O-N 3.42Å; D92-S95 WeakPolarHBondContact O-CB 3.25Å; D92-S95 PolarHBondContact O-N 3.46Å; D92-S95 VanDerWaalsContact O-N 3.14Å; D92-D96 WeakPolarHBondContact O-CB 3.41Å; D92-D96 VanDerWaalsContact O-CG 3.23Å; D92-D96 PolarHBondContact O-N 3.26Å; D92-R347 IonicContact OD1-CZ 3.73Å; D92-R347 IonicContact OD1-NH1 2.72Å; D92-R347 PolarHBondContact OD1-NH1 2.91Å; D92-R347 IonicContact OD1-NH2 2.73Å; D92-R347 PolarHBondContact OD1-NH2 3.5Å; D92-R347 IonicContact OD2-NH2 3.03Å; D92-K352 WeakPolarHBondContact OD1-CD 3.36Å; D92-K352 IonicContact OD1-NZ 3.9Å; D92-K352 WeakPolarHBondContact OD2-CD 3.47Å; D92-K352 IonicContact OD2-NZ 2.65Å; D92-K352 PolarHBondContact OD2-NZ 2.85Å |
| 93 | I | 97.8 | Very high | 97 | Very high | 84 Ų | 84 | 46.6 Ų | 46.6 | 43% | 0.431 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -55.3 | -44.7 | 173.5 | -68.3 | 167.3 | 0 | 0 | 0 | 111.3 | I14 I89 I90 G97 | I14-I93 HydrophobicContact CD1-CD1 3.46Å; I14-I93 VanDerWaalsContact CD1-CD1 3.46Å; I89-I93 HydrophobicContact CG2-CD1 4.15Å; I89-I93 WeakPolarHBondContact O-CG1 3.09Å; I89-I93 PolarHBondContact O-N 2.84Å; I90-I93 PolarHBondContact O-N 3.45Å; I93-G97 PolarHBondContact O-N 2.9Å |
| 94 | L | 98.1 | Very high | 97.1 | Very high | 80 Ų | 80 | 46.5 Ų | 46.5 | 42% | 0.419 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -71.3 | -39.1 | 178.2 | 179.3 | 59.3 | 0 | 0 | 0 | 112 | I90 G91 D92 D96 G97 I98 L351 F355 | I90-L94 PolarHBondContact O-N 3.13Å; I90-L94 VanDerWaalsContact O-N 3.17Å; G91-L94 PolarHBondContact O-N 3.32Å; D92-L94 VanDerWaalsContact C-N 3.29Å; D92-L94 PolarHBondContact O-N 3.42Å; L94-D96 VanDerWaalsContact C-N 3.31Å; L94-D96 PolarHBondContact O-N 3.43Å; L94-G97 PolarHBondContact O-N 3.32Å; L94-I98 HydrophobicContact CD1-CD1 4.1Å; L94-I98 HydrophobicContact CD1-CG1 4.17Å; L94-I98 HydrophobicContact CG-CD1 4.1Å; L94-I98 WeakPolarHBondContact O-CG1 3.45Å; L94-I98 PolarHBondContact O-N 2.98Å; L94-L351 HydrophobicContact CB-CD2 3.8Å; L94-L351 HydrophobicContact CD2-CD1 4.39Å; L94-L351 HydrophobicContact CD2-CD2 3.86Å; L94-L351 HydrophobicContact CG-CD2 3.72Å; L94-F355 HydrophobicContact CD2-CZ 3.98Å |
| 95 | S | 98.1 | Very high | 97.2 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.4 | -48.2 | 174 | 170.5 | 0 | 0 | 0 | 0 | 110.9 | G91 D92 I98 G99 | G91-S95 PolarHBondContact O-N 3.24Å; D92-S95 WeakPolarHBondContact O-CB 3.25Å; D92-S95 PolarHBondContact O-N 3.46Å; D92-S95 VanDerWaalsContact O-N 3.14Å; S95-I98 PolarHBondContact O-N 3.02Å; S95-G99 PolarHBondContact O-N 3.36Å; S95-G99 VanDerWaalsContact O-N 3.1Å |
| 96 | D | 97.7 | Very high | 97.2 | Very high | 109 Ų | 109 | 49.9 Ų | 49.9 | 58% | 0.583 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -71.3 | -36.3 | -177.2 | -63.6 | -13 | 0 | 0 | 0 | 111.4 | D92 L94 G99 | D92-D96 WeakPolarHBondContact O-CB 3.41Å; D92-D96 VanDerWaalsContact O-CG 3.23Å; D92-D96 PolarHBondContact O-N 3.26Å; L94-D96 VanDerWaalsContact C-N 3.31Å; L94-D96 PolarHBondContact O-N 3.43Å; D96-G99 PolarHBondContact O-N 2.92Å |
| 97 | G | 97.3 | Very high | 97.1 | Very high | 69 Ų | 69 | 45.8 Ų | 45.8 | 71% | 0.711 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -66 | -32.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | I93 L94 | I93-G97 PolarHBondContact O-N 2.9Å; L94-G97 PolarHBondContact O-N 3.32Å |
| 98 | I | 97.8 | Very high | 97.1 | Very high | 82 Ų | 82 | 46.2 Ų | 46.2 | 42% | 0.421 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -72.6 | -41.5 | 172.4 | -65.9 | 165.8 | 0 | 0 | 0 | 110.4 | L94 S95 A100 Y111 F348 | L94-I98 HydrophobicContact CD1-CD1 4.1Å; L94-I98 HydrophobicContact CD1-CG1 4.17Å; L94-I98 HydrophobicContact CG-CD1 4.1Å; L94-I98 WeakPolarHBondContact O-CG1 3.45Å; L94-I98 PolarHBondContact O-N 2.98Å; S95-I98 PolarHBondContact O-N 3.02Å; I98-A100 HydrophobicContact CG2-CB 3.91Å; I98-A100 PolarHBondContact O-N 2.98Å; I98-Y111 HydrophobicContact CG2-CE2 4.21Å; I98-Y111 VanDerWaalsContact CG2-OH 3.27Å; I98-Y111 WeakPolarHBondContact CG2-OH 3.24Å; I98-F348 HydrophobicContact CD1-CD1 4.24Å; I98-F348 HydrophobicContact CD1-CE1 4.5Å |
| 99 | G | 95.8 | Very high | 97 | Very high | 61 Ų | 61 | 48.6 Ų | 48.6 | 63% | 0.629 | 30% | 0.3 | S | S | * | . | trans | 64.2 | 12.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | S95 D96 | S95-G99 PolarHBondContact O-N 3.36Å; S95-G99 VanDerWaalsContact O-N 3.1Å; D96-G99 PolarHBondContact O-N 2.92Å | ||
| 100 | A | 95.6 | Very high | 97 | Very high | 37 Ų | 37 | 49.8 Ų | 49.8 | 31% | 0.306 | 32% | 0.315 | S | S | . | . | trans | -85.4 | 167.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I98 Y111 | I98-A100 HydrophobicContact CG2-CB 3.91Å; I98-A100 PolarHBondContact O-N 2.98Å; A100-Y111 HydrophobicContact CB-CE1 4.41Å; A100-Y111 HydrophobicContact CB-CE2 4.31Å; A100-Y111 WeakPolarHBondContact CB-OH 3.47Å; A100-Y111 PolarHBondContact N-OH 2.85Å; A100-Y111 WeakPolarHBondContact O-CE1 3.44Å; A100-Y111 PolarHBondContact O-OH 3.16Å | ||
| 101 | L | 96.1 | Very high | 97 | Very high | 91 Ų | 91 | 45.9 Ų | 45.9 | 48% | 0.476 | 29% | 0.294 | S | S | . | . | trans | -114.7 | 135.5 | 177.2 | -61 | 176.1 | 0 | 0 | 0 | 111.1 | F103 S107 | L101-F103 HydrophobicContact CB-CD1 3.85Å; L101-F103 HydrophobicContact CB-CE1 4.08Å; L101-S107 WeakPolarHBondContact O-CB 3.37Å; L101-S107 PolarHBondContact O-OG 3.44Å | ||
| 102 | G | 95.7 | Very high | 97 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | trans | -111.2 | 50.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114 | S107 R346 | G102-S107 WeakPolarHBondContact CA-OG 3.27Å; G102-R346 PolarHBondContact N-O 3.23Å; G102-R346 WeakPolarHBondContact O-CD 3.49Å; G102-R346 WeakPolarHBondContact O-CG 3.25Å | ||
| 103 | F | 94.8 | Very high | 97 | Very high | 45 Ų | 45 | 50 Ų | 50 | 20% | 0.197 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -75.5 | -35.5 | -176.6 | 51.6 | -100.4 | 0 | 0 | 0 | 113.1 | L101 S107 L326 F337 M338 L344 | L101-F103 HydrophobicContact CB-CD1 3.85Å; L101-F103 HydrophobicContact CB-CE1 4.08Å; F103-S107 PolarHBondContact N-OG 2.68Å; F103-S107 VanDerWaalsContact N-OG 3.09Å; F103-L326 HydrophobicContact CD2-CD2 3.99Å; F103-L326 HydrophobicContact CE2-CD2 3.64Å; F103-L326 HydrophobicContact CZ-CD2 4.4Å; F103-F337 PolarHBondContact O-N 3.08Å; F103-M338 HydrophobicContact CB-CB 4.21Å; F103-M338 VanDerWaalsContact O-CB 3.29Å; F103-M338 WeakPolarHBondContact O-CB 3.13Å; F103-M338 WeakPolarHBondContact O-CG 3.49Å; F103-M338 PolarHBondContact O-N 3.38Å; F103-L344 HydrophobicContact CB-CD1 3.83Å; F103-L344 HydrophobicContact CB-CG 4.19Å; F103-L344 WeakPolarHBondContact CB-O 3.21Å; F103-L344 HydrophobicContact CD2-CD1 4.29Å; F103-L344 HydrophobicContact CG-CD1 4.13Å; F103-L344 HydrophobicContact CG-CG 4.37Å |
| 104 | T | 96.3 | Very high | 97 | Very high | 4 Ų | 4 | 47.6 Ų | 47.6 | 3% | 0.025 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -119.3 | 162.2 | 169.6 | 53 | 0 | 0 | 0 | 0 | 108.7 | A106 S107 D336 M338 | T104-A106 PolarHBondContact O-N 2.85Å; T104-S107 PolarHBondContact N-OG 2.95Å; T104-S107 PolarHBondContact O-N 3.43Å; T104-S107 PolarHBondContact O-OG 2.88Å; T104-S107 VanDerWaalsContact O-OG 3.04Å; T104-S107 PolarHBondContact OG1-N 3.48Å; T104-D336 WeakPolarHBondContact CA-OD1 3.47Å; T104-D336 VanDerWaalsContact CB-OD1 3.25Å; T104-D336 WeakPolarHBondContact CB-OD1 3.45Å; T104-D336 HydrophobicContact CG2-CB 4.21Å; T104-M338 HydrophobicContact CG2-CE 3.9Å; T104-M338 HydrophobicContact CG2-SD 3.79Å |
| 105 | W | 96.7 | Very high | 97.1 | Very high | 57 Ų | 57 | 43.9 Ų | 43.9 | 22% | 0.216 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -57.5 | -38.1 | 170.6 | 176.4 | 90.5 | 0 | 0 | 0 | 111.6 | S107 S108 P109 T112 E113 K330 V334 D336 | W105-S107 VanDerWaalsContact C-N 3.29Å; W105-S107 PolarHBondContact O-N 3.4Å; W105-S108 CarbonylContact O-C 3.6Å; W105-S108 PolarHBondContact O-N 3.12Å; W105-P109 HydrophobicContact CD2-CB 4.29Å; W105-P109 HydrophobicContact CD2-CG 4.2Å; W105-P109 HydrophobicContact CE3-CG 4.42Å; W105-P109 HydrophobicContact CH2-CG 4.13Å; W105-P109 HydrophobicContact CZ2-CB 3.85Å; W105-P109 HydrophobicContact CZ2-CG 3.9Å; W105-P109 HydrophobicContact CZ3-CG 4.37Å; W105-P109 WeakPolarHBondContact O-CA 3.44Å; W105-P109 WeakPolarHBondContact O-CD 3.46Å; W105-P109 WeakPolarHBondContact O-CG 3.4Å; W105-T112 HydrophobicContact CB-CG2 4.45Å; W105-E113 PolarHBondContact NE1-OE1 2.9Å; W105-K330 HydrophobicContact CE3-CB 3.93Å; W105-K330 HydrophobicContact CE3-CG 4.1Å; W105-K330 HydrophobicContact CH2-CG 4.25Å; W105-K330 HydrophobicContact CZ3-CB 4.03Å; W105-K330 HydrophobicContact CZ3-CG 3.65Å; W105-V334 HydrophobicContact CB-CG2 3.58Å; W105-V334 VanDerWaalsContact CD1-CG2 3.48Å; W105-V334 HydrophobicContact CD2-CG2 4.15Å; W105-V334 HydrophobicContact CG-CG2 3.44Å; W105-V334 VanDerWaalsContact CG-CG2 3.44Å; W105-D336 PolarHBondContact N-OD1 3.14Å |
| 106 | A | 96.7 | Very high | 97.1 | Very high | 49 Ų | 49 | 45.4 Ų | 45.4 | 41% | 0.405 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -67.6 | -25.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | T104 H328 | T104-A106 PolarHBondContact O-N 2.85Å; A106-H328 HydrophobicContact CB-CB 3.62Å; A106-H328 VanDerWaalsContact CB-CG 3.47Å |
| 107 | S | 96.6 | Very high | 97.1 | Very high | 40 Ų | 40 | 42.1 Ų | 42.1 | 28% | 0.28 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -74.1 | -30.8 | -179.8 | 78 | 0 | 0 | 0 | 0 | 112.6 | L101 G102 F103 T104 W105 | L101-S107 WeakPolarHBondContact O-CB 3.37Å; L101-S107 PolarHBondContact O-OG 3.44Å; G102-S107 WeakPolarHBondContact CA-OG 3.27Å; F103-S107 PolarHBondContact N-OG 2.68Å; F103-S107 VanDerWaalsContact N-OG 3.09Å; T104-S107 PolarHBondContact N-OG 2.95Å; T104-S107 PolarHBondContact O-N 3.43Å; T104-S107 PolarHBondContact O-OG 2.88Å; T104-S107 VanDerWaalsContact O-OG 3.04Å; T104-S107 PolarHBondContact OG1-N 3.48Å; W105-S107 VanDerWaalsContact C-N 3.29Å; W105-S107 PolarHBondContact O-N 3.4Å |
| 108 | S | 97 | Very high | 97.2 | Very high | 20 Ų | 20 | 39 Ų | 39 | 14% | 0.14 | 24% | 0.243 | C | C | . | . | trans | -165.6 | 93.9 | 169.4 | -170 | 0 | 0 | 0 | 0 | 110.9 | W105 A110 Y111 T112 | W105-S108 CarbonylContact O-C 3.6Å; W105-S108 PolarHBondContact O-N 3.12Å; S108-A110 VanDerWaalsContact C-N 3.26Å; S108-A110 PolarHBondContact O-N 3.22Å; S108-A110 VanDerWaalsContact O-N 3.17Å; S108-Y111 WeakPolarHBondContact O-CB 3.45Å; S108-Y111 PolarHBondContact O-N 3.35Å; S108-Y111 WeakPolarHBondContact OG-CD2 3.16Å; S108-Y111 VanDerWaalsContact OG-CE2 3.28Å; S108-Y111 WeakPolarHBondContact OG-CE2 3.45Å; S108-T112 PolarHBondContact O-N 3.14Å | ||
| 109 | P | 97.2 | Very high | 97.2 | Very high | 50 Ų | 50 | 35 Ų | 35 | 33% | 0.325 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -54.2 | -40.1 | -175.4 | -31.9 | 37 | 0 | 0 | 0 | 114 | W105 Y111 T112 E113 | W105-P109 HydrophobicContact CD2-CB 4.29Å; W105-P109 HydrophobicContact CD2-CG 4.2Å; W105-P109 HydrophobicContact CE3-CG 4.42Å; W105-P109 HydrophobicContact CH2-CG 4.13Å; W105-P109 HydrophobicContact CZ2-CB 3.85Å; W105-P109 HydrophobicContact CZ2-CG 3.9Å; W105-P109 HydrophobicContact CZ3-CG 4.37Å; W105-P109 WeakPolarHBondContact O-CA 3.44Å; W105-P109 WeakPolarHBondContact O-CD 3.46Å; W105-P109 WeakPolarHBondContact O-CG 3.4Å; P109-Y111 VanDerWaalsContact C-N 3.25Å; P109-Y111 PolarHBondContact O-N 3.04Å; P109-T112 PolarHBondContact O-N 3.3Å; P109-E113 WeakPolarHBondContact O-CB 3.37Å; P109-E113 WeakPolarHBondContact O-CG 3.41Å; P109-E113 PolarHBondContact O-N 3.09Å |
| 110 | A | 97.9 | Very high | 97.4 | Very high | 57 Ų | 57 | 32.4 Ų | 32.4 | 47% | 0.471 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.5 | -29.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | S108 L114 F348 | S108-A110 VanDerWaalsContact C-N 3.26Å; S108-A110 PolarHBondContact O-N 3.22Å; S108-A110 VanDerWaalsContact O-N 3.17Å; A110-L114 WeakPolarHBondContact O-CB 3.47Å; A110-L114 PolarHBondContact O-N 2.99Å; A110-L114 VanDerWaalsContact O-N 3.15Å; A110-F348 HydrophobicContact CB-CZ 4.39Å; A110-F348 WeakPolarHBondContact O-CE2 3.32Å; A110-F348 WeakPolarHBondContact O-CZ 3.25Å |
| 111 | Y | 97.5 | Very high | 97.5 | Very high | 9 Ų | 9 | 35.8 Ų | 35.8 | 4% | 0.035 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.4 | -47.3 | 178.3 | -76.9 | -142.1 | 0 | 0 | 0 | 109.8 | I98 A100 S108 P109 E115 F348 | I98-Y111 HydrophobicContact CG2-CE2 4.21Å; I98-Y111 VanDerWaalsContact CG2-OH 3.27Å; I98-Y111 WeakPolarHBondContact CG2-OH 3.24Å; A100-Y111 HydrophobicContact CB-CE1 4.41Å; A100-Y111 HydrophobicContact CB-CE2 4.31Å; A100-Y111 WeakPolarHBondContact CB-OH 3.47Å; A100-Y111 PolarHBondContact N-OH 2.85Å; A100-Y111 WeakPolarHBondContact O-CE1 3.44Å; A100-Y111 PolarHBondContact O-OH 3.16Å; S108-Y111 WeakPolarHBondContact O-CB 3.45Å; S108-Y111 PolarHBondContact O-N 3.35Å; S108-Y111 WeakPolarHBondContact OG-CD2 3.16Å; S108-Y111 VanDerWaalsContact OG-CE2 3.28Å; S108-Y111 WeakPolarHBondContact OG-CE2 3.45Å; P109-Y111 VanDerWaalsContact C-N 3.25Å; P109-Y111 PolarHBondContact O-N 3.04Å; Y111-E115 VanDerWaalsContact O-CB 3.28Å; Y111-E115 WeakPolarHBondContact O-CB 3.43Å; Y111-E115 PolarHBondContact O-N 3.27Å; Y111-F348 HydrophobicContact CD1-CB 3.87Å; Y111-F348 HydrophobicContact CD1-CD2 4.4Å; Y111-F348 HydrophobicContact CD1-CG 4.1Å; Y111-F348 HydrophobicContact CD2-CB 4.21Å; Y111-F348 AromaticContact CD2-CD1 3.55Å; Y111-F348 HydrophobicContact CD2-CD1 3.55Å; Y111-F348 HydrophobicContact CD2-CD2 4.01Å; Y111-F348 AromaticContact CD2-CE1 3.8Å; Y111-F348 HydrophobicContact CD2-CE1 3.8Å; Y111-F348 HydrophobicContact CD2-CE2 4.22Å; Y111-F348 AromaticContact CD2-CG 3.66Å; Y111-F348 HydrophobicContact CD2-CG 3.66Å; Y111-F348 HydrophobicContact CD2-CZ 4.13Å; Y111-F348 HydrophobicContact CE1-CB 3.54Å; Y111-F348 HydrophobicContact CE1-CG 4.09Å; Y111-F348 HydrophobicContact CE2-CB 3.93Å; Y111-F348 AromaticContact CE2-CD1 3.32Å; Y111-F348 HydrophobicContact CE2-CD1 3.32Å; Y111-F348 HydrophobicContact CE2-CD2 4.47Å; Y111-F348 AromaticContact CE2-CE1 3.87Å; Y111-F348 HydrophobicContact CE2-CE1 3.87Å; Y111-F348 AromaticContact CE2-CG 3.68Å; Y111-F348 HydrophobicContact CE2-CG 3.68Å; Y111-F348 HydrophobicContact CG-CB 4.2Å; Y111-F348 HydrophobicContact CG-CD1 4.27Å; Y111-F348 AromaticContact CG-CD2 3.98Å; Y111-F348 HydrophobicContact CG-CD2 3.98Å; Y111-F348 HydrophobicContact CG-CE2 4.41Å; Y111-F348 AromaticContact CG-CG 3.9Å; Y111-F348 HydrophobicContact CG-CG 3.9Å; Y111-F348 AromaticContact CZ-CD1 3.84Å; Y111-F348 AromaticContact CZ-CG 3.88Å |
| 112 | T | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68 | -53.3 | 179.6 | -60.9 | 0 | 0 | 0 | 0 | 111.3 | W105 S108 P109 L114 E115 M116 P335 F337 | W105-T112 HydrophobicContact CB-CG2 4.45Å; S108-T112 PolarHBondContact O-N 3.14Å; P109-T112 PolarHBondContact O-N 3.3Å; T112-L114 PolarHBondContact O-N 3.41Å; T112-E115 PolarHBondContact O-N 3Å; T112-M116 HydrophobicContact CG2-SD 3.99Å; T112-M116 WeakPolarHBondContact O-CG 3.42Å; T112-M116 PolarHBondContact O-N 3.22Å; T112-P335 WeakPolarHBondContact CG2-O 3.37Å; T112-F337 HydrophobicContact CG2-CD2 3.94Å; T112-F337 HydrophobicContact CG2-CE2 3.74Å |
| 113 | E | 98.1 | Very high | 97.8 | Very high | 102 Ų | 102 | 31.5 Ų | 31.5 | 48% | 0.477 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -69.4 | -38.2 | -171.6 | -69.2 | -171.2 | -149.7 | 0 | 0 | 113.2 | W105 P109 E115 M116 A117 | W105-E113 PolarHBondContact NE1-OE1 2.9Å; P109-E113 WeakPolarHBondContact O-CB 3.37Å; P109-E113 WeakPolarHBondContact O-CG 3.41Å; P109-E113 PolarHBondContact O-N 3.09Å; E113-E115 VanDerWaalsContact C-N 3.33Å; E113-M116 PolarHBondContact O-N 3.12Å; E113-A117 PolarHBondContact O-N 3.31Å; E113-A117 VanDerWaalsContact O-N 3.08Å |
| 114 | L | 98.6 | Very high | 98 | Very high | 33 Ų | 33 | 34.6 Ų | 34.6 | 17% | 0.173 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.8 | -38.7 | 174.5 | -175.9 | 65.2 | 0 | 0 | 0 | 110.8 | A110 T112 A117 M118 F348 A350 L351 W354 | A110-L114 WeakPolarHBondContact O-CB 3.47Å; A110-L114 PolarHBondContact O-N 2.99Å; A110-L114 VanDerWaalsContact O-N 3.15Å; T112-L114 PolarHBondContact O-N 3.41Å; L114-A117 PolarHBondContact O-N 3.08Å; L114-M118 HydrophobicContact CD1-CE 4.04Å; L114-M118 HydrophobicContact CD1-CG 4.35Å; L114-M118 HydrophobicContact CG-CG 4.27Å; L114-M118 WeakPolarHBondContact O-CB 3.22Å; L114-M118 VanDerWaalsContact O-CG 3.25Å; L114-M118 WeakPolarHBondContact O-CG 3.47Å; L114-M118 PolarHBondContact O-N 3.03Å; L114-F348 HydrophobicContact CB-CE2 3.92Å; L114-F348 HydrophobicContact CB-CZ 4.15Å; L114-F348 HydrophobicContact CD2-CE2 3.57Å; L114-F348 HydrophobicContact CD2-CZ 3.57Å; L114-F348 HydrophobicContact CG-CE2 4.25Å; L114-F348 HydrophobicContact CG-CZ 4.47Å; L114-A350 HydrophobicContact CD2-CB 4.46Å; L114-A350 HydrophobicContact CG-CB 4.22Å; L114-L351 HydrophobicContact CD2-CD1 4.22Å; L114-W354 HydrophobicContact CD1-CB 4.37Å; L114-W354 HydrophobicContact CD1-CD2 4.05Å; L114-W354 HydrophobicContact CD1-CG 3.93Å; L114-W354 HydrophobicContact CD2-CB 4.26Å; L114-W354 HydrophobicContact CD2-CD2 4.31Å; L114-W354 HydrophobicContact CD2-CE3 4.21Å; L114-W354 HydrophobicContact CD2-CG 4.37Å |
| 115 | E | 98.7 | Very high | 98 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.9 | -44.3 | 176.1 | -172.6 | 161.9 | 138 | 0 | 0 | 111.8 | Y111 T112 E113 A117 M118 M119 V143 I144 F337 R346 A350 | Y111-E115 VanDerWaalsContact O-CB 3.28Å; Y111-E115 WeakPolarHBondContact O-CB 3.43Å; Y111-E115 PolarHBondContact O-N 3.27Å; T112-E115 PolarHBondContact O-N 3Å; E113-E115 VanDerWaalsContact C-N 3.33Å; E115-A117 VanDerWaalsContact C-N 3.33Å; E115-A117 PolarHBondContact O-N 2.84Å; E115-M118 PolarHBondContact O-N 3.1Å; E115-M118 VanDerWaalsContact O-N 3.16Å; E115-M119 HydrophobicContact CG-CG 4.22Å; E115-M119 WeakPolarHBondContact O-CB 3.2Å; E115-M119 VanDerWaalsContact O-CG 3.26Å; E115-M119 WeakPolarHBondContact O-CG 3.29Å; E115-M119 PolarHBondContact O-N 3.16Å; E115-V143 WeakPolarHBondContact OE1-CG2 3.32Å; E115-I144 HydrophobicContact CG-CD1 3.87Å; E115-I144 HydrophobicContact CG-CG1 3.86Å; E115-I144 PolarHBondContact OE1-N 2.85Å; E115-F337 HydrophobicContact CB-CE2 3.87Å; E115-F337 HydrophobicContact CB-CZ 4.31Å; E115-F337 HydrophobicContact CG-CE2 4.04Å; E115-F337 HydrophobicContact CG-CZ 4.13Å; E115-R346 IonicContact OE1-CZ 3.64Å; E115-R346 IonicContact OE1-NH1 2.73Å; E115-R346 PolarHBondContact OE1-NH1 2.97Å; E115-R346 IonicContact OE1-NH2 3.18Å; E115-R346 IonicContact OE2-NH1 3.27Å; E115-R346 PolarHBondContact OE2-NH1 3.13Å; E115-A350 VanDerWaalsContact CA-CB 3.47Å; E115-A350 HydrophobicContact CB-CB 3.73Å; E115-A350 HydrophobicContact CG-CB 4.21Å |
| 116 | M | 98.6 | Very high | 98.1 | Very high | 34 Ų | 34 | 32.5 Ų | 32.5 | 17% | 0.167 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -54.9 | -49.1 | 173.7 | -67.8 | 169.4 | 68 | 0 | 0 | 111.6 | T112 E113 M118 M119 D120 F134 P335 F337 | T112-M116 HydrophobicContact CG2-SD 3.99Å; T112-M116 WeakPolarHBondContact O-CG 3.42Å; T112-M116 PolarHBondContact O-N 3.22Å; E113-M116 PolarHBondContact O-N 3.12Å; M116-M118 VanDerWaalsContact C-N 3.34Å; M116-M118 PolarHBondContact O-N 3.27Å; M116-M119 PolarHBondContact O-N 3.39Å; M116-D120 PolarHBondContact O-N 3.43Å; M116-D120 VanDerWaalsContact O-N 3.08Å; M116-F134 HydrophobicContact CB-CD2 3.67Å; M116-F134 HydrophobicContact CB-CE2 3.91Å; M116-F134 HydrophobicContact CB-CG 4.21Å; M116-F134 HydrophobicContact CE-CB 4.09Å; M116-F134 HydrophobicContact CE-CD1 3.96Å; M116-F134 HydrophobicContact CE-CD2 4.49Å; M116-F134 HydrophobicContact CE-CE1 4.5Å; M116-F134 HydrophobicContact CE-CG 3.94Å; M116-F134 HydrophobicContact CG-CD1 4.49Å; M116-F134 HydrophobicContact CG-CD2 3.86Å; M116-F134 HydrophobicContact CG-CE1 4.4Å; M116-F134 HydrophobicContact CG-CE2 3.73Å; M116-F134 HydrophobicContact CG-CG 4.22Å; M116-F134 HydrophobicContact CG-CZ 4Å; M116-P335 HydrophobicContact CE-CG 4.41Å; M116-P335 HydrophobicContact SD-CG 4.28Å; M116-F337 HydrophobicContact CG-CE2 4.32Å; M116-F337 HydrophobicContact CG-CZ 3.94Å |
| 117 | A | 98.6 | Very high | 98.1 | Very high | 40 Ų | 40 | 31.7 Ų | 31.7 | 33% | 0.331 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.3 | -39.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E113 L114 E115 D120 W121 | E113-A117 PolarHBondContact O-N 3.31Å; E113-A117 VanDerWaalsContact O-N 3.08Å; L114-A117 PolarHBondContact O-N 3.08Å; E115-A117 VanDerWaalsContact C-N 3.33Å; E115-A117 PolarHBondContact O-N 2.84Å; A117-D120 PolarHBondContact O-N 3.46Å; A117-W121 PolarHBondContact O-N 2.93Å |
| 118 | M | 98.7 | Very high | 98.2 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.015 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70.4 | -36.3 | 179.7 | -70.9 | -49.5 | 94.2 | 0 | 0 | 112.7 | L114 E115 M116 W121 L122 A350 L353 W354 | L114-M118 HydrophobicContact CD1-CE 4.04Å; L114-M118 HydrophobicContact CD1-CG 4.35Å; L114-M118 HydrophobicContact CG-CG 4.27Å; L114-M118 WeakPolarHBondContact O-CB 3.22Å; L114-M118 VanDerWaalsContact O-CG 3.25Å; L114-M118 WeakPolarHBondContact O-CG 3.47Å; L114-M118 PolarHBondContact O-N 3.03Å; E115-M118 PolarHBondContact O-N 3.1Å; E115-M118 VanDerWaalsContact O-N 3.16Å; M116-M118 VanDerWaalsContact C-N 3.34Å; M116-M118 PolarHBondContact O-N 3.27Å; M118-W121 HydrophobicContact CE-CD2 3.66Å; M118-W121 HydrophobicContact CE-CE3 3.5Å; M118-W121 HydrophobicContact CE-CG 4.23Å; M118-W121 HydrophobicContact CE-CH2 4.22Å; M118-W121 HydrophobicContact CE-CZ2 4.34Å; M118-W121 HydrophobicContact CE-CZ3 3.8Å; M118-W121 PolarHBondContact O-N 3.19Å; M118-W121 HydrophobicContact SD-CD2 4.41Å; M118-W121 HydrophobicContact SD-CE3 3.81Å; M118-W121 HydrophobicContact SD-CZ3 4.22Å; M118-L122 WeakPolarHBondContact O-CB 3.42Å; M118-L122 PolarHBondContact O-N 3.46Å; M118-A350 HydrophobicContact CB-CB 4.45Å; M118-A350 HydrophobicContact CG-CB 4.17Å; M118-L353 HydrophobicContact CB-CD2 3.82Å; M118-L353 HydrophobicContact CB-CG 4.29Å; M118-L353 HydrophobicContact CG-CD2 4.5Å; M118-L353 HydrophobicContact CG-CG 4.48Å; M118-W354 HydrophobicContact CE-CB 4.47Å; M118-W354 HydrophobicContact CE-CG 4.21Å; M118-W354 HydrophobicContact CG-CB 4.06Å; M118-W354 WeakPolarHBondContact SD-CA 3.41Å; M118-W354 HydrophobicContact SD-CB 3.53Å; M118-W354 VanDerWaalsContact SD-CB 3.53Å; M118-W354 HydrophobicContact SD-CG 3.86Å |
| 119 | M | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.3 | -39 | 174.5 | -68.6 | -56.8 | -63.6 | 0 | 0 | 111.4 | E115 M116 A123 F134 I144 A306 W308 | E115-M119 HydrophobicContact CG-CG 4.22Å; E115-M119 WeakPolarHBondContact O-CB 3.2Å; E115-M119 VanDerWaalsContact O-CG 3.26Å; E115-M119 WeakPolarHBondContact O-CG 3.29Å; E115-M119 PolarHBondContact O-N 3.16Å; M116-M119 PolarHBondContact O-N 3.39Å; M119-A123 VanDerWaalsContact O-CB 3.3Å; M119-A123 WeakPolarHBondContact O-CB 3.39Å; M119-A123 PolarHBondContact O-N 3.34Å; M119-F134 HydrophobicContact CB-CE2 4.31Å; M119-I144 HydrophobicContact CG-CG1 4.39Å; M119-I144 HydrophobicContact SD-CD1 4.43Å; M119-I144 HydrophobicContact SD-CG1 3.57Å; M119-I144 VanDerWaalsContact SD-CG1 3.57Å; M119-A306 HydrophobicContact CE-CB 3.74Å; M119-A306 HydrophobicContact SD-CB 4.09Å; M119-W308 HydrophobicContact CE-CD2 3.83Å; M119-W308 VanDerWaalsContact CE-CE2 3.42Å; M119-W308 HydrophobicContact CE-CE3 4.45Å; M119-W308 HydrophobicContact CE-CG 4.22Å; M119-W308 HydrophobicContact CE-CH2 4.4Å; M119-W308 HydrophobicContact CE-CZ2 3.74Å; M119-W308 PolarHBondContact O-NE1 2.96Å |
| 120 | D | 98.8 | Very high | 98.3 | Very high | 6 Ų | 6 | 35.5 Ų | 35.5 | 3% | 0.032 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.4 | -42 | 173.1 | -87.2 | 28.8 | 0 | 0 | 0 | 112.2 | M116 A117 K124 L133 F134 T135 | M116-D120 PolarHBondContact O-N 3.43Å; M116-D120 VanDerWaalsContact O-N 3.08Å; A117-D120 PolarHBondContact O-N 3.46Å; D120-K124 WeakPolarHBondContact O-CB 3.26Å; D120-K124 VanDerWaalsContact O-CG 3.26Å; D120-K124 WeakPolarHBondContact O-CG 3.14Å; D120-K124 PolarHBondContact O-N 3.04Å; D120-L133 HydrophobicContact CB-CD2 4.14Å; D120-L133 WeakPolarHBondContact OD1-CA 3.48Å; D120-F134 PolarHBondContact OD1-N 3.4Å; D120-T135 WeakPolarHBondContact OD2-CB 3.37Å; D120-T135 VanDerWaalsContact OD2-CG2 3.22Å; D120-T135 WeakPolarHBondContact OD2-CG2 3.49Å; D120-T135 PolarHBondContact OD2-N 2.79Å; D120-T135 VanDerWaalsContact OD2-N 3.11Å; D120-T135 PolarHBondContact OD2-OG1 2.88Å |
| 121 | W | 98.7 | Very high | 98.3 | Very high | 107 Ų | 107 | 35.5 Ų | 35.5 | 41% | 0.405 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.1 | -49.2 | 174.7 | -81.2 | 17.8 | 0 | 0 | 0 | 111.4 | A117 M118 K124 M125 W354 V357 R358 | A117-W121 PolarHBondContact O-N 2.93Å; M118-W121 HydrophobicContact CE-CD2 3.66Å; M118-W121 HydrophobicContact CE-CE3 3.5Å; M118-W121 HydrophobicContact CE-CG 4.23Å; M118-W121 HydrophobicContact CE-CH2 4.22Å; M118-W121 HydrophobicContact CE-CZ2 4.34Å; M118-W121 HydrophobicContact CE-CZ3 3.8Å; M118-W121 PolarHBondContact O-N 3.19Å; M118-W121 HydrophobicContact SD-CD2 4.41Å; M118-W121 HydrophobicContact SD-CE3 3.81Å; M118-W121 HydrophobicContact SD-CZ3 4.22Å; W121-K124 PolarHBondContact O-N 3.38Å; W121-M125 WeakPolarHBondContact O-CB 3.23Å; W121-M125 WeakPolarHBondContact O-CG 3.41Å; W121-M125 PolarHBondContact O-N 2.93Å; W121-W354 AromaticContact CZ3-CD1 3.91Å; W121-V357 HydrophobicContact CE3-CG1 3.91Å; W121-V357 HydrophobicContact CZ3-CG1 4.1Å; W121-R358 HydrophobicContact CH2-CG 4.45Å; W121-R358 HydrophobicContact CZ3-CG 4.22Å |
| 122 | L | 98.6 | Very high | 98.4 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.3 | -42.3 | -177.6 | -178.1 | 63.4 | 0 | 0 | 0 | 111.5 | M118 K124 M125 I126 P294 L298 A306 W308 L353 | M118-L122 WeakPolarHBondContact O-CB 3.42Å; M118-L122 PolarHBondContact O-N 3.46Å; L122-K124 PolarHBondContact O-N 3.37Å; L122-M125 WeakPolarHBondContact O-CB 3.47Å; L122-M125 PolarHBondContact O-N 2.61Å; L122-I126 HydrophobicContact CD1-CG2 4.39Å; L122-I126 WeakPolarHBondContact O-CG1 3.39Å; L122-I126 PolarHBondContact O-N 2.86Å; L122-P294 HydrophobicContact CD1-CG 4.46Å; L122-P294 HydrophobicContact CD2-CG 3.52Å; L122-L298 HydrophobicContact CD1-CD1 3.84Å; L122-A306 HydrophobicContact CD2-CB 3.5Å; L122-W308 HydrophobicContact CB-CH2 4.41Å; L122-W308 HydrophobicContact CB-CZ2 3.93Å; L122-W308 HydrophobicContact CD2-CH2 3.51Å; L122-W308 HydrophobicContact CD2-CZ2 3.74Å; L122-W308 HydrophobicContact CG-CH2 3.68Å; L122-W308 HydrophobicContact CG-CZ2 3.71Å; L122-L353 HydrophobicContact CD2-CD2 4.44Å |
| 123 | A | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -55.8 | -48.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | M119 M125 I126 G127 L128 L133 W308 | M119-A123 VanDerWaalsContact O-CB 3.3Å; M119-A123 WeakPolarHBondContact O-CB 3.39Å; M119-A123 PolarHBondContact O-N 3.34Å; A123-M125 VanDerWaalsContact C-N 3.34Å; A123-M125 PolarHBondContact O-N 2.84Å; A123-I126 PolarHBondContact O-N 3.32Å; A123-G127 PolarHBondContact O-N 3.34Å; A123-L128 HydrophobicContact CB-CB 4.09Å; A123-L128 HydrophobicContact CB-CD1 4.02Å; A123-L128 HydrophobicContact CB-CG 4.27Å; A123-L128 PolarHBondContact O-N 2.85Å; A123-L133 HydrophobicContact CB-CD2 3.42Å; A123-L133 VanDerWaalsContact CB-CD2 3.42Å; A123-W308 HydrophobicContact CB-CZ2 4.24Å |
| 124 | K | 98.4 | Very high | 98.4 | Very high | 111 Ų | 111 | 32.3 Ų | 32.3 | 48% | 0.483 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -63.5 | -38.1 | 176.6 | -70.8 | 169.2 | -174.1 | 173 | 0 | 112.3 | D120 W121 L122 G127 L133 | D120-K124 WeakPolarHBondContact O-CB 3.26Å; D120-K124 VanDerWaalsContact O-CG 3.26Å; D120-K124 WeakPolarHBondContact O-CG 3.14Å; D120-K124 PolarHBondContact O-N 3.04Å; W121-K124 PolarHBondContact O-N 3.38Å; L122-K124 PolarHBondContact O-N 3.37Å; K124-G127 PolarHBondContact O-N 3.13Å; K124-L133 VanDerWaalsContact CE-CD1 3.42Å; K124-L133 HydrophobicContact CG-CD1 4.29Å; K124-L133 HydrophobicContact CG-CD2 4.21Å |
| 125 | M | 98.3 | Very high | 98.4 | Very high | 15 Ų | 15 | 35.5 Ų | 35.5 | 7% | 0.074 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.3 | -46.1 | 178.4 | -75.4 | 168.2 | 56.4 | 0 | 0 | 111.8 | W121 L122 A123 G127 V357 V362 L365 | W121-M125 WeakPolarHBondContact O-CB 3.23Å; W121-M125 WeakPolarHBondContact O-CG 3.41Å; W121-M125 PolarHBondContact O-N 2.93Å; L122-M125 WeakPolarHBondContact O-CB 3.47Å; L122-M125 PolarHBondContact O-N 2.61Å; A123-M125 VanDerWaalsContact C-N 3.34Å; A123-M125 PolarHBondContact O-N 2.84Å; M125-G127 VanDerWaalsContact C-N 3.33Å; M125-V357 HydrophobicContact CE-CG2 4.34Å; M125-V357 HydrophobicContact SD-CG1 4.14Å; M125-V357 HydrophobicContact SD-CG2 4.26Å; M125-V362 HydrophobicContact CE-CG1 4.46Å; M125-V362 HydrophobicContact CE-CG2 4.25Å; M125-V362 HydrophobicContact CG-CG1 4.3Å; M125-V362 HydrophobicContact CG-CG2 3.83Å; M125-V362 HydrophobicContact SD-CG2 4.04Å; M125-L365 HydrophobicContact CE-CD1 3.61Å |
| 126 | I | 98.1 | Very high | 98.3 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -85.4 | -4.1 | 179.8 | 70.7 | -177.2 | 0 | 0 | 0 | 113.5 | L122 A123 L128 A272 I273 M281 W308 | L122-I126 HydrophobicContact CD1-CG2 4.39Å; L122-I126 WeakPolarHBondContact O-CG1 3.39Å; L122-I126 PolarHBondContact O-N 2.86Å; A123-I126 PolarHBondContact O-N 3.32Å; I126-L128 HydrophobicContact CD1-CD1 4.03Å; I126-L128 HydrophobicContact CD1-CD2 3.93Å; I126-L128 HydrophobicContact CD1-CG 3.78Å; I126-L128 HydrophobicContact CG1-CD1 4.42Å; I126-L128 HydrophobicContact CG1-CD2 4Å; I126-L128 HydrophobicContact CG1-CG 3.7Å; I126-A272 HydrophobicContact CB-CB 4.06Å; I126-A272 WeakPolarHBondContact O-CB 3.38Å; I126-I273 HydrophobicContact CG2-CG2 3.79Å; I126-M281 HydrophobicContact CB-CE 4.33Å; I126-M281 HydrophobicContact CD1-CE 4.08Å; I126-M281 HydrophobicContact CG1-CE 4.41Å; I126-W308 HydrophobicContact CD1-CH2 3.72Å; I126-W308 HydrophobicContact CD1-CZ2 4.42Å; I126-W308 HydrophobicContact CD1-CZ3 3.97Å |
| 127 | G | 97.5 | Very high | 98.1 | Very high | 32 Ų | 32 | 45.3 Ų | 45.3 | 33% | 0.33 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | 32.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A123 K124 M125 | A123-G127 PolarHBondContact O-N 3.34Å; K124-G127 PolarHBondContact O-N 3.13Å; M125-G127 VanDerWaalsContact C-N 3.33Å |
| 128 | L | 98.4 | Very high | 97.9 | Very high | 14 Ų | 14 | 44.6 Ų | 44.6 | 7% | 0.073 | 24% | 0.235 | C | C | . | . | trans | -67.6 | 148.4 | 172 | -60.4 | -170.1 | 0 | 0 | 0 | 111.4 | A123 I126 F132 M281 V284 I290 W308 | A123-L128 HydrophobicContact CB-CB 4.09Å; A123-L128 HydrophobicContact CB-CD1 4.02Å; A123-L128 HydrophobicContact CB-CG 4.27Å; A123-L128 PolarHBondContact O-N 2.85Å; I126-L128 HydrophobicContact CD1-CD1 4.03Å; I126-L128 HydrophobicContact CD1-CD2 3.93Å; I126-L128 HydrophobicContact CD1-CG 3.78Å; I126-L128 HydrophobicContact CG1-CD1 4.42Å; I126-L128 HydrophobicContact CG1-CD2 4Å; I126-L128 HydrophobicContact CG1-CG 3.7Å; L128-F132 HydrophobicContact CB-CD2 4.25Å; L128-F132 HydrophobicContact CD1-CB 4.42Å; L128-M281 HydrophobicContact CD2-SD 4.44Å; L128-V284 HydrophobicContact CD2-CG1 4.39Å; L128-V284 HydrophobicContact CD2-CG2 4.22Å; L128-I290 HydrophobicContact CD1-CD1 3.93Å; L128-I290 HydrophobicContact CD2-CD1 3.87Å; L128-I290 HydrophobicContact CG-CD1 4.48Å; L128-W308 HydrophobicContact CD1-CB 4.4Å; L128-W308 HydrophobicContact CD1-CD2 3.61Å; L128-W308 HydrophobicContact CD1-CE3 3.83Å; L128-W308 HydrophobicContact CD1-CG 3.88Å; L128-W308 HydrophobicContact CD1-CZ2 4.37Å; L128-W308 HydrophobicContact CD1-CZ3 4.26Å | ||
| 129 | P | 98.1 | Very high | 97.8 | Very high | 40 Ų | 40 | 47.4 Ų | 47.4 | 26% | 0.26 | 25% | 0.254 | S | S | . | . | trans | -57 | 149.6 | 171.1 | -24.8 | 33.2 | 0 | 0 | 0 | 112.8 | I131 F132 V284 E285 | P129-I131 HydrophobicContact CB-CG2 4.14Å; P129-I131 PolarHBondContact O-N 3.04Å; P129-F132 HydrophobicContact CB-CD2 4.26Å; P129-F132 HydrophobicContact CB-CE2 4.43Å; P129-F132 HydrophobicContact CG-CD2 4.36Å; P129-F132 HydrophobicContact CG-CE2 4.2Å; P129-F132 PolarHBondContact O-N 2.87Å; P129-F132 VanDerWaalsContact O-N 3.13Å; P129-V284 HydrophobicContact CG-CG1 4.04Å; P129-E285 HydrophobicContact CG-CB 4.05Å | ||
| 130 | E | 98.2 | Very high | 97.8 | Very high | 136 Ų | 136 | 47.7 Ų | 47.7 | 64% | 0.636 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -59.6 | -24.4 | -177.1 | -64.1 | -172 | 164.3 | 0 | 0 | 113.5 | F132 L133 H136 | E130-F132 PolarHBondContact O-N 3.32Å; E130-L133 HydrophobicContact CB-CD1 4.17Å; E130-L133 HydrophobicContact CG-CD1 4.17Å; E130-L133 VanDerWaalsContact O-CB 3.31Å; E130-L133 WeakPolarHBondContact O-CB 3.32Å; E130-L133 WeakPolarHBondContact O-CG 3.15Å; E130-L133 PolarHBondContact O-N 2.81Å; E130-H136 HydrophobicContact CB-CB 4.43Å; E130-H136 WeakPolarHBondContact O-CB 3.41Å |
| 131 | I | 98 | Very high | 97.8 | Very high | 57 Ų | 57 | 47.4 Ų | 47.4 | 29% | 0.292 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -57.4 | -20.3 | 177.4 | -159.8 | 167.5 | 0 | 0 | 0 | 113.7 | P129 G140 K310 | P129-I131 HydrophobicContact CB-CG2 4.14Å; P129-I131 PolarHBondContact O-N 3.04Å; I131-G140 WeakPolarHBondContact O-CA 3.39Å; I131-K310 HydrophobicContact CD1-CD 4.12Å; I131-K310 HydrophobicContact CD1-CG 3.75Å; I131-K310 HydrophobicContact CG1-CG 4.07Å; I131-K310 HydrophobicContact CG2-CG 4.38Å |
| 132 | F | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -91.1 | -2.3 | 177.2 | -64.8 | -73.9 | 0 | 0 | 0 | 114 | L128 P129 E130 G141 A287 I290 W308 K310 | L128-F132 HydrophobicContact CB-CD2 4.25Å; L128-F132 HydrophobicContact CD1-CB 4.42Å; P129-F132 HydrophobicContact CB-CD2 4.26Å; P129-F132 HydrophobicContact CB-CE2 4.43Å; P129-F132 HydrophobicContact CG-CD2 4.36Å; P129-F132 HydrophobicContact CG-CE2 4.2Å; P129-F132 PolarHBondContact O-N 2.87Å; P129-F132 VanDerWaalsContact O-N 3.13Å; E130-F132 PolarHBondContact O-N 3.32Å; F132-G141 CarbonylContact O-C 3.54Å; F132-G141 VanDerWaalsContact O-CA 3.3Å; F132-G141 WeakPolarHBondContact O-CA 3.44Å; F132-G141 PolarHBondContact O-N 3.03Å; F132-A287 HydrophobicContact CZ-CB 4.36Å; F132-I290 HydrophobicContact CD1-CD1 4.17Å; F132-I290 HydrophobicContact CD2-CD1 4.07Å; F132-I290 HydrophobicContact CE1-CD1 3.77Å; F132-I290 HydrophobicContact CE1-CG1 4.34Å; F132-I290 HydrophobicContact CE2-CD1 3.67Å; F132-I290 HydrophobicContact CG-CD1 4.31Å; F132-I290 HydrophobicContact CZ-CD1 3.51Å; F132-I290 HydrophobicContact CZ-CG1 4.28Å; F132-W308 HydrophobicContact CB-CB 4.26Å; F132-W308 HydrophobicContact CB-CG 4.45Å; F132-W308 HydrophobicContact CD1-CB 3.95Å; F132-W308 HydrophobicContact CG-CB 4.39Å; F132-K310 HydrophobicContact CD1-CB 4.38Å; F132-K310 HydrophobicContact CE1-CB 3.75Å; F132-K310 HydrophobicContact CZ-CB 4.29Å |
| 133 | L | 98.6 | Very high | 97.7 | Very high | 6 Ų | 6 | 42.2 Ų | 42.2 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | trans | -90.7 | 142.9 | -178.1 | -56.3 | 177.8 | 0 | 0 | 0 | 111.2 | D120 A123 K124 E130 T135 H136 | D120-L133 HydrophobicContact CB-CD2 4.14Å; D120-L133 WeakPolarHBondContact OD1-CA 3.48Å; A123-L133 HydrophobicContact CB-CD2 3.42Å; A123-L133 VanDerWaalsContact CB-CD2 3.42Å; K124-L133 VanDerWaalsContact CE-CD1 3.42Å; K124-L133 HydrophobicContact CG-CD1 4.29Å; K124-L133 HydrophobicContact CG-CD2 4.21Å; E130-L133 HydrophobicContact CB-CD1 4.17Å; E130-L133 HydrophobicContact CG-CD1 4.17Å; E130-L133 VanDerWaalsContact O-CB 3.31Å; E130-L133 WeakPolarHBondContact O-CB 3.32Å; E130-L133 WeakPolarHBondContact O-CG 3.15Å; E130-L133 PolarHBondContact O-N 2.81Å; L133-T135 PolarHBondContact O-N 3.16Å; L133-H136 HydrophobicContact CB-CB 4.24Å; L133-H136 PolarHBondContact O-N 2.86Å | ||
| 134 | F | 98 | Very high | 97.7 | Very high | 39 Ų | 39 | 42.2 Ų | 42.2 | 17% | 0.171 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -30.1 | 169.1 | -74.1 | -66.6 | 0 | 0 | 0 | 112.6 | M116 M119 D120 H136 G142 P335 F337 | M116-F134 HydrophobicContact CB-CD2 3.67Å; M116-F134 HydrophobicContact CB-CE2 3.91Å; M116-F134 HydrophobicContact CB-CG 4.21Å; M116-F134 HydrophobicContact CE-CB 4.09Å; M116-F134 HydrophobicContact CE-CD1 3.96Å; M116-F134 HydrophobicContact CE-CD2 4.49Å; M116-F134 HydrophobicContact CE-CE1 4.5Å; M116-F134 HydrophobicContact CE-CG 3.94Å; M116-F134 HydrophobicContact CG-CD1 4.49Å; M116-F134 HydrophobicContact CG-CD2 3.86Å; M116-F134 HydrophobicContact CG-CE1 4.4Å; M116-F134 HydrophobicContact CG-CE2 3.73Å; M116-F134 HydrophobicContact CG-CG 4.22Å; M116-F134 HydrophobicContact CG-CZ 4Å; M119-F134 HydrophobicContact CB-CE2 4.31Å; D120-F134 PolarHBondContact OD1-N 3.4Å; F134-H136 VanDerWaalsContact C-N 3.27Å; F134-H136 PolarHBondContact O-N 3.3Å; F134-G142 VanDerWaalsContact CE2-N 3.25Å; F134-G142 WeakPolarHBondContact CE2-O 3.44Å; F134-G142 VanDerWaalsContact CZ-N 3.29Å; F134-G142 WeakPolarHBondContact CZ-O 3.16Å; F134-P335 HydrophobicContact CD1-CG 4.26Å; F134-P335 HydrophobicContact CE1-CG 3.52Å; F134-P335 HydrophobicContact CZ-CG 4.1Å; F134-F337 HydrophobicContact CE2-CZ 4.43Å; F134-F337 HydrophobicContact CZ-CE1 4.07Å; F134-F337 HydrophobicContact CZ-CZ 4.12Å |
| 135 | T | 97.2 | Very high | 97.7 | Very high | 100 Ų | 100 | 37.1 Ų | 37.1 | 61% | 0.613 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -9.1 | 178.5 | 48.1 | 0 | 0 | 0 | 0 | 114.5 | D120 L133 | D120-T135 WeakPolarHBondContact OD2-CB 3.37Å; D120-T135 VanDerWaalsContact OD2-CG2 3.22Å; D120-T135 WeakPolarHBondContact OD2-CG2 3.49Å; D120-T135 PolarHBondContact OD2-N 2.79Å; D120-T135 VanDerWaalsContact OD2-N 3.11Å; D120-T135 PolarHBondContact OD2-OG1 2.88Å; L133-T135 PolarHBondContact O-N 3.16Å |
| 136 | H | 96.9 | Very high | 97.7 | Very high | 68 Ų | 68 | 36.6 Ų | 36.6 | 32% | 0.315 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -82.9 | 148.8 | 175.1 | 172.1 | -97.4 | 0 | 0 | 0 | 110.5 | E130 L133 F134 G138 | E130-H136 HydrophobicContact CB-CB 4.43Å; E130-H136 WeakPolarHBondContact O-CB 3.41Å; L133-H136 HydrophobicContact CB-CB 4.24Å; L133-H136 PolarHBondContact O-N 2.86Å; F134-H136 VanDerWaalsContact C-N 3.27Å; F134-H136 PolarHBondContact O-N 3.3Å; H136-G138 PolarHBondContact CE1-N 3.03Å; H136-G138 WeakPolarHBondContact ND1-CA 3.28Å; H136-G138 PolarHBondContact ND1-N 3.16Å; H136-G138 PolarHBondContact O-N 2.99Å |
| 137 | N | 94.4 | Very high | 97.7 | Very high | 174 Ų | 174 | 37.9 Ų | 37.9 | 93% | 0.93 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -70.2 | 11.4 | -177.7 | -69.5 | -26.5 | 0 | 0 | 0 | 114.7 | ||
| 138 | G | 94.9 | Very high | 97.8 | Very high | 26 Ų | 26 | 36.8 Ų | 36.8 | 27% | 0.268 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -106.1 | 177.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | H136 G140 | H136-G138 PolarHBondContact CE1-N 3.03Å; H136-G138 WeakPolarHBondContact ND1-CA 3.28Å; H136-G138 PolarHBondContact ND1-N 3.16Å; H136-G138 PolarHBondContact O-N 2.99Å; G138-G140 PolarHBondContact O-N 3.28Å |
| 139 | P | 96.8 | Very high | 97.8 | Very high | 62 Ų | 62 | 38 Ų | 38 | 40% | 0.403 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -84.3 | 10.1 | -173.3 | 36 | -37.8 | 0 | 0 | 0 | 114.1 | N311 C312 | P139-N311 HydrophobicContact CB-CB 4.46Å; P139-N311 WeakPolarHBondContact CB-OD1 3.37Å; P139-N311 HydrophobicContact CG-CB 3.94Å; P139-C312 WeakPolarHBondContact O-CB 3.38Å; P139-C312 PolarHBondContact O-N 2.85Å; P139-C312 PolarHBondContact O-SG 3.36Å; P139-C312 VanDerWaalsContact O-SG 3.4Å |
| 140 | G | 98.1 | Very high | 97.8 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 5% | 0.052 | 22% | 0.223 | C | C | . | . | trans | -80.7 | 174.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | I131 G138 M309 K310 C312 | I131-G140 WeakPolarHBondContact O-CA 3.39Å; G138-G140 PolarHBondContact O-N 3.28Å; G140-M309 WeakPolarHBondContact CA-O 3.46Å; G140-K310 WeakPolarHBondContact CA-O 3.26Å; G140-K310 PolarHBondContact N-O 2.77Å; G140-C312 VanDerWaalsContact C-SG 3.59Å | ||
| 141 | G | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165.5 | -173.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F132 W308 M309 | F132-G141 CarbonylContact O-C 3.54Å; F132-G141 VanDerWaalsContact O-CA 3.3Å; F132-G141 WeakPolarHBondContact O-CA 3.44Å; F132-G141 PolarHBondContact O-N 3.03Å; G141-W308 CarbonylContact O-C 3.58Å; G141-W308 WeakPolarHBondContact O-CA 3.15Å; G141-M309 PolarHBondContact N-O 3.3Å; G141-M309 VanDerWaalsContact N-O 3.11Å; G141-M309 WeakPolarHBondContact O-CE 3.44Å; G141-M309 PolarHBondContact O-N 2.94Å |
| 142 | G | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 161.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | F134 F307 F337 | F134-G142 VanDerWaalsContact CE2-N 3.25Å; F134-G142 WeakPolarHBondContact CE2-O 3.44Å; F134-G142 VanDerWaalsContact CZ-N 3.29Å; F134-G142 WeakPolarHBondContact CZ-O 3.16Å; G142-F307 CarbonylContact C-O 3.57Å; G142-F307 WeakPolarHBondContact CA-O 3.26Å; G142-F337 WeakPolarHBondContact O-CE1 3.36Å |
| 143 | V | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 148.6 | 177.5 | 56.4 | 0 | 0 | 0 | 0 | 110.1 | E115 F307 M309 F337 Y340 | E115-V143 WeakPolarHBondContact OE1-CG2 3.32Å; V143-F307 HydrophobicContact CG1-CB 4.15Å; V143-F307 HydrophobicContact CG1-CD1 3.82Å; V143-F307 HydrophobicContact CG1-CG 4.48Å; V143-F307 PolarHBondContact N-O 2.99Å; V143-F307 PolarHBondContact O-N 3.42Å; V143-M309 HydrophobicContact CG1-CE 4Å; V143-F337 HydrophobicContact CB-CD1 3.91Å; V143-F337 HydrophobicContact CB-CE1 3.86Å; V143-F337 HydrophobicContact CG2-CD1 3.63Å; V143-F337 HydrophobicContact CG2-CE1 4.02Å; V143-F337 HydrophobicContact CG2-CG 4.29Å; V143-Y340 HydrophobicContact CB-CD2 4.16Å; V143-Y340 HydrophobicContact CG1-CD2 4.42Å |
| 144 | I | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 113.2 | 173.8 | -53.4 | 174.3 | 0 | 0 | 0 | 109.6 | E115 M119 C304 S305 R346 R349 A350 L353 | E115-I144 HydrophobicContact CG-CD1 3.87Å; E115-I144 HydrophobicContact CG-CG1 3.86Å; E115-I144 PolarHBondContact OE1-N 2.85Å; M119-I144 HydrophobicContact CG-CG1 4.39Å; M119-I144 HydrophobicContact SD-CD1 4.43Å; M119-I144 HydrophobicContact SD-CG1 3.57Å; M119-I144 VanDerWaalsContact SD-CG1 3.57Å; I144-C304 HydrophobicContact CG2-CB 4.47Å; I144-S305 CarbonylContact C-O 3.47Å; I144-S305 WeakPolarHBondContact CA-O 3.26Å; I144-R346 PolarHBondContact O-NH2 3.44Å; I144-R349 HydrophobicContact CB-CB 4.27Å; I144-R349 HydrophobicContact CD1-CB 4.27Å; I144-R349 HydrophobicContact CG2-CB 3.81Å; I144-R349 HydrophobicContact CG2-CG 4.35Å; I144-R349 PolarHBondContact O-NH1 3.33Å; I144-R349 VanDerWaalsContact O-NH1 3.12Å; I144-A350 HydrophobicContact CD1-CB 4.05Å; I144-L353 HydrophobicContact CD1-CD2 4.21Å |
| 145 | Q | 98.4 | Very high | 97.8 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 1% | 0.014 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 171.3 | 172.7 | -55.8 | -59.1 | -22.4 | 0 | 0 | 111.8 | E150 L154 S305 F307 Y340 | Q145-E150 HydrophobicContact CB-CB 4.28Å; Q145-L154 VanDerWaalsContact CD-CD1 3.48Å; Q145-L154 HydrophobicContact CG-CD1 4.11Å; Q145-L154 VanDerWaalsContact NE2-CD1 3.33Å; Q145-S305 PolarHBondContact N-O 3.39Å; Q145-S305 PolarHBondContact O-N 3.08Å; Q145-F307 HydrophobicContact CG-CB 3.97Å; Q145-Y340 PolarHBondContact NE2-O 2.96Å |
| 146 | G | 97.8 | Very high | 97.9 | Very high | 5 Ų | 5 | 25.4 Ų | 25.4 | 5% | 0.052 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -73.9 | -37.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | E150 D303 | G146-E150 WeakPolarHBondContact CA-OE2 3.47Å; G146-E150 PolarHBondContact N-OE2 2.67Å; G146-D303 WeakPolarHBondContact CA-OD2 3.45Å; G146-D303 WeakPolarHBondContact O-CB 3.48Å |
| 147 | S | 98.4 | Very high | 97.9 | Very high | 28 Ų | 28 | 22.9 Ų | 22.9 | 20% | 0.196 | 14% | 0.138 | C | C | . | . | trans | -150.1 | 161.9 | -178.2 | 70.2 | 0 | 0 | 0 | 0 | 113.1 | S149 E150 G151 S305 | S147-S149 PolarHBondContact O-N 2.73Å; S147-E150 WeakPolarHBondContact O-CB 3.49Å; S147-E150 PolarHBondContact O-N 2.87Å; S147-E150 VanDerWaalsContact O-N 3.16Å; S147-E150 PolarHBondContact OG-N 3.14Å; S147-G151 PolarHBondContact O-N 2.95Å; S147-S305 VanDerWaalsContact C-CB 3.45Å; S147-S305 VanDerWaalsContact C-OG 3.26Å; S147-S305 PolarHBondContact O-OG 3.27Å | ||
| 148 | A | 98.3 | Very high | 98.1 | Very high | 9 Ų | 9 | 14.6 Ų | 14.6 | 7% | 0.074 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.4 | -32.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | E150 G151 V152 A266 T291 S305 | A148-E150 VanDerWaalsContact C-N 3.29Å; A148-E150 PolarHBondContact O-N 3.08Å; A148-G151 WeakPolarHBondContact O-CA 3.44Å; A148-G151 PolarHBondContact O-N 3.44Å; A148-G151 VanDerWaalsContact O-N 3.08Å; A148-V152 WeakPolarHBondContact O-CG2 3.12Å; A148-V152 PolarHBondContact O-N 3.35Å; A148-A266 HydrophobicContact CB-CB 3.88Å; A148-T291 VanDerWaalsContact CA-CG2 3.49Å; A148-T291 HydrophobicContact CB-CG2 3.42Å; A148-T291 VanDerWaalsContact CB-CG2 3.42Å; A148-S305 WeakPolarHBondContact CA-OG 3.45Å; A148-S305 PolarHBondContact N-OG 3.22Å |
| 149 | S | 98.6 | Very high | 98.3 | Very high | 39 Ų | 39 | 13.5 Ų | 13.5 | 27% | 0.273 | 8% | 0.082 | S | C | . | . | H | α-helix | trans | -59.8 | -38.3 | 175.6 | -52.7 | 0 | 0 | 0 | 0 | 112.6 | S147 H153 S187 | S147-S149 PolarHBondContact O-N 2.73Å; S149-H153 WeakPolarHBondContact O-CB 3.14Å; S149-H153 PolarHBondContact O-N 3.15Å; S149-S187 WeakPolarHBondContact OG-CB 3.3Å |
| 150 | E | 97.9 | Very high | 98.3 | Very high | 76 Ų | 76 | 14 Ų | 14 | 36% | 0.355 | 8% | 0.076 | S | C | . | . | H | α-helix | trans | -65.1 | -44 | 172.9 | -69.9 | 166.2 | -159.1 | 0 | 0 | 110.5 | Q145 G146 S147 A148 V152 H153 L154 | Q145-E150 HydrophobicContact CB-CB 4.28Å; G146-E150 WeakPolarHBondContact CA-OE2 3.47Å; G146-E150 PolarHBondContact N-OE2 2.67Å; S147-E150 WeakPolarHBondContact O-CB 3.49Å; S147-E150 PolarHBondContact O-N 2.87Å; S147-E150 VanDerWaalsContact O-N 3.16Å; S147-E150 PolarHBondContact OG-N 3.14Å; A148-E150 VanDerWaalsContact C-N 3.29Å; A148-E150 PolarHBondContact O-N 3.08Å; E150-V152 PolarHBondContact O-N 2.95Å; E150-H153 PolarHBondContact O-N 2.87Å; E150-L154 WeakPolarHBondContact O-CB 3.21Å; E150-L154 VanDerWaalsContact O-CG 3.24Å; E150-L154 WeakPolarHBondContact O-CG 3.44Å; E150-L154 PolarHBondContact O-N 2.81Å |
| 151 | G | 98.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -55.9 | -48.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S147 A148 H153 L154 S155 F307 | S147-G151 PolarHBondContact O-N 2.95Å; A148-G151 WeakPolarHBondContact O-CA 3.44Å; A148-G151 PolarHBondContact O-N 3.44Å; A148-G151 VanDerWaalsContact O-N 3.08Å; G151-H153 VanDerWaalsContact C-N 3.34Å; G151-H153 PolarHBondContact O-N 3.2Å; G151-L154 PolarHBondContact O-N 3.22Å; G151-S155 VanDerWaalsContact O-CB 3.25Å; G151-S155 WeakPolarHBondContact O-CB 3.39Å; G151-S155 PolarHBondContact O-N 2.9Å; G151-F307 WeakPolarHBondContact O-CE2 3.15Å |
| 152 | V | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.8 | -42.7 | 176.4 | -177.6 | 0 | 0 | 0 | 0 | 111 | A148 E150 S155 M156 V188 A191 | A148-V152 WeakPolarHBondContact O-CG2 3.12Å; A148-V152 PolarHBondContact O-N 3.35Å; E150-V152 PolarHBondContact O-N 2.95Å; V152-S155 PolarHBondContact O-N 3.12Å; V152-M156 WeakPolarHBondContact O-CB 3.11Å; V152-M156 PolarHBondContact O-N 3.18Å; V152-V188 HydrophobicContact CG1-CB 4.49Å; V152-V188 HydrophobicContact CG1-CG2 4.19Å; V152-A191 HydrophobicContact CG1-CB 3.82Å |
| 153 | H | 98.4 | Very high | 98.1 | Very high | 37 Ų | 37 | 21 Ų | 21 | 17% | 0.171 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.2 | -45.9 | 178.6 | 176.9 | 58.3 | 0 | 0 | 0 | 112.6 | S149 E150 G151 S155 M156 S157 A191 N195 | S149-H153 WeakPolarHBondContact O-CB 3.14Å; S149-H153 PolarHBondContact O-N 3.15Å; E150-H153 PolarHBondContact O-N 2.87Å; G151-H153 VanDerWaalsContact C-N 3.34Å; G151-H153 PolarHBondContact O-N 3.2Å; H153-S155 VanDerWaalsContact C-N 3.35Å; H153-M156 PolarHBondContact O-N 3.49Å; H153-S157 PolarHBondContact CE1-OG 2.96Å; H153-S157 WeakPolarHBondContact O-CB 3.43Å; H153-S157 PolarHBondContact O-N 3.24Å; H153-S157 PolarHBondContact O-OG 2.97Å; H153-A191 HydrophobicContact CB-CB 4.36Å; H153-N195 PolarHBondContact ND1-ND2 2.93Å |
| 154 | L | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.9 | -46.9 | 176.3 | -69.4 | 171 | 0 | 0 | 0 | 110.9 | Q145 E150 G151 S157 A158 F307 F319 Y340 V342 | Q145-L154 VanDerWaalsContact CD-CD1 3.48Å; Q145-L154 HydrophobicContact CG-CD1 4.11Å; Q145-L154 VanDerWaalsContact NE2-CD1 3.33Å; E150-L154 WeakPolarHBondContact O-CB 3.21Å; E150-L154 VanDerWaalsContact O-CG 3.24Å; E150-L154 WeakPolarHBondContact O-CG 3.44Å; E150-L154 PolarHBondContact O-N 2.81Å; G151-L154 PolarHBondContact O-N 3.22Å; L154-S157 PolarHBondContact O-N 3.23Å; L154-A158 PolarHBondContact O-N 2.73Å; L154-F307 HydrophobicContact CB-CE1 4.49Å; L154-F307 HydrophobicContact CB-CZ 4.3Å; L154-F319 HydrophobicContact CB-CE2 4.3Å; L154-F319 HydrophobicContact CD2-CD1 4.42Å; L154-F319 HydrophobicContact CD2-CD2 4.04Å; L154-F319 HydrophobicContact CD2-CE1 3.9Å; L154-F319 HydrophobicContact CD2-CE2 3.48Å; L154-F319 VanDerWaalsContact CD2-CE2 3.48Å; L154-F319 HydrophobicContact CD2-CG 4.49Å; L154-F319 HydrophobicContact CD2-CZ 3.4Å; L154-Y340 WeakPolarHBondContact CD1-O 3.39Å; L154-V342 HydrophobicContact CD2-CG2 3.87Å |
| 155 | S | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.9 | -51.9 | 177.8 | -174.2 | 0 | 0 | 0 | 0 | 112 | G151 V152 H153 S157 A158 A159 F231 W260 H262 T289 | G151-S155 VanDerWaalsContact O-CB 3.25Å; G151-S155 WeakPolarHBondContact O-CB 3.39Å; G151-S155 PolarHBondContact O-N 2.9Å; V152-S155 PolarHBondContact O-N 3.12Å; H153-S155 VanDerWaalsContact C-N 3.35Å; S155-S157 VanDerWaalsContact C-N 3.33Å; S155-S157 PolarHBondContact O-N 2.87Å; S155-A158 PolarHBondContact O-N 3.03Å; S155-A159 WeakPolarHBondContact O-CB 3.17Å; S155-A159 PolarHBondContact O-N 3.4Å; S155-F231 WeakPolarHBondContact OG-CE2 3.15Å; S155-W260 PolarHBondContact OG-NE1 3.29Å; S155-H262 PolarHBondContact OG-ND1 3.34Å; S155-T289 WeakPolarHBondContact CB-OG1 3.41Å; S155-T289 PolarHBondContact OG-OG1 3.47Å |
| 156 | M | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.8 | -35.3 | -179.9 | -170.7 | -178.6 | -69.7 | 0 | 0 | 112.4 | V152 H153 A159 R160 A178 V188 A191 A192 N195 V197 F230 F231 | V152-M156 WeakPolarHBondContact O-CB 3.11Å; V152-M156 PolarHBondContact O-N 3.18Å; H153-M156 PolarHBondContact O-N 3.49Å; M156-A159 PolarHBondContact O-N 2.83Å; M156-R160 VanDerWaalsContact O-CB 3.22Å; M156-R160 WeakPolarHBondContact O-CB 3.39Å; M156-R160 PolarHBondContact O-N 3.39Å; M156-A178 HydrophobicContact CE-CB 4Å; M156-V188 HydrophobicContact CE-CG1 4.26Å; M156-A191 HydrophobicContact CE-CB 3.91Å; M156-A191 HydrophobicContact SD-CB 4.01Å; M156-A192 HydrophobicContact CE-CB 4.23Å; M156-A192 WeakPolarHBondContact SD-CA 3.49Å; M156-A192 HydrophobicContact SD-CB 4.06Å; M156-A192 PolarHBondContact SD-N 3Å; M156-A192 VanDerWaalsContact SD-N 3.37Å; M156-N195 HydrophobicContact CG-CB 4.48Å; M156-N195 HydrophobicContact SD-CB 4.22Å; M156-V197 HydrophobicContact SD-CG2 3.86Å; M156-F230 HydrophobicContact CG-CE2 4.16Å; M156-F230 HydrophobicContact CG-CZ 4.04Å; M156-F231 HydrophobicContact CB-CD2 4.26Å; M156-F231 HydrophobicContact CB-CE1 4.48Å; M156-F231 HydrophobicContact CB-CE2 3.97Å; M156-F231 HydrophobicContact CB-CZ 4.09Å; M156-F231 HydrophobicContact CE-CD1 3.76Å; M156-F231 HydrophobicContact CE-CE1 3.63Å; M156-F231 HydrophobicContact CE-CG 4.48Å; M156-F231 HydrophobicContact CE-CZ 4.3Å; M156-F231 HydrophobicContact CG-CD1 4.49Å; M156-F231 HydrophobicContact CG-CD2 4.36Å; M156-F231 HydrophobicContact CG-CG 4.33Å |
| 157 | S | 98.2 | Very high | 97.3 | Very high | 16 Ų | 16 | 36.8 Ų | 36.8 | 11% | 0.112 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.2 | -41.7 | 177.1 | -54.3 | 0 | 0 | 0 | 0 | 111.8 | H153 L154 S155 R160 K161 N195 F319 | H153-S157 PolarHBondContact CE1-OG 2.96Å; H153-S157 WeakPolarHBondContact O-CB 3.43Å; H153-S157 PolarHBondContact O-N 3.24Å; H153-S157 PolarHBondContact O-OG 2.97Å; L154-S157 PolarHBondContact O-N 3.23Å; S155-S157 VanDerWaalsContact C-N 3.33Å; S155-S157 PolarHBondContact O-N 2.87Å; S157-R160 PolarHBondContact O-N 2.77Å; S157-K161 WeakPolarHBondContact O-CB 3.17Å; S157-K161 PolarHBondContact O-N 3.11Å; S157-N195 VanDerWaalsContact CA-OD1 3.3Å; S157-N195 WeakPolarHBondContact CA-OD1 3.36Å; S157-N195 PolarHBondContact OG-ND2 3.47Å; S157-N195 PolarHBondContact OG-OD1 3.22Å; S157-N195 VanDerWaalsContact OG-OD1 3.06Å; S157-F319 VanDerWaalsContact CB-CZ 3.5Å |
| 158 | A | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.2 | -45.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L154 S155 R160 K161 L162 W260 N314 I315 A318 | L154-A158 PolarHBondContact O-N 2.73Å; S155-A158 PolarHBondContact O-N 3.03Å; A158-R160 VanDerWaalsContact C-N 3.31Å; A158-R160 PolarHBondContact O-N 2.87Å; A158-K161 PolarHBondContact O-N 3.43Å; A158-L162 WeakPolarHBondContact O-CG 3.25Å; A158-L162 PolarHBondContact O-N 2.78Å; A158-W260 HydrophobicContact CB-CH2 4.17Å; A158-W260 HydrophobicContact CB-CZ2 4.42Å; A158-N314 WeakPolarHBondContact CB-O 3.49Å; A158-I315 HydrophobicContact CB-CD1 3.43Å; A158-I315 VanDerWaalsContact CB-CD1 3.43Å; A158-I315 HydrophobicContact CB-CG1 4.33Å; A158-A318 HydrophobicContact CB-CB 4.15Å |
| 159 | A | 98.5 | Very high | 96.6 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 3% | 0.025 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.6 | -46.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | S155 M156 L162 A163 F230 F231 W260 | S155-A159 WeakPolarHBondContact O-CB 3.17Å; S155-A159 PolarHBondContact O-N 3.4Å; M156-A159 PolarHBondContact O-N 2.83Å; A159-L162 PolarHBondContact O-N 3.47Å; A159-A163 WeakPolarHBondContact O-CB 3.46Å; A159-A163 PolarHBondContact O-N 3.26Å; A159-F230 HydrophobicContact CB-CD2 4Å; A159-F230 HydrophobicContact CB-CE2 4.07Å; A159-F231 HydrophobicContact CB-CD2 3.68Å; A159-F231 HydrophobicContact CB-CE2 4.45Å; A159-W260 HydrophobicContact CB-CB 3.6Å; A159-W260 HydrophobicContact CB-CD2 3.73Å; A159-W260 HydrophobicContact CB-CE3 4.21Å; A159-W260 HydrophobicContact CB-CG 3.48Å; A159-W260 VanDerWaalsContact CB-CG 3.48Å |
| 160 | R | 97.9 | Very high | 96.1 | Very high | 72 Ų | 72 | 55.8 Ų | 55.8 | 27% | 0.272 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.9 | -46.6 | 175.8 | -179.5 | 179.4 | 178.4 | -80.8 | -3.7 | 111.2 | M156 S157 A158 L162 A163 L164 L176 N195 V197 F230 | M156-R160 VanDerWaalsContact O-CB 3.22Å; M156-R160 WeakPolarHBondContact O-CB 3.39Å; M156-R160 PolarHBondContact O-N 3.39Å; S157-R160 PolarHBondContact O-N 2.77Å; A158-R160 VanDerWaalsContact C-N 3.31Å; A158-R160 PolarHBondContact O-N 2.87Å; R160-L162 VanDerWaalsContact C-N 3.29Å; R160-L162 PolarHBondContact O-N 3.32Å; R160-A163 PolarHBondContact O-N 3.48Å; R160-L164 HydrophobicContact CG-CD1 4.14Å; R160-L164 HydrophobicContact CG-CG 4.33Å; R160-L164 WeakPolarHBondContact O-CB 3.37Å; R160-L164 VanDerWaalsContact O-CG 3.22Å; R160-L164 WeakPolarHBondContact O-CG 3.06Å; R160-L164 PolarHBondContact O-N 2.96Å; R160-L176 HydrophobicContact CG-CD1 3.95Å; R160-N195 WeakPolarHBondContact CD-O 2.98Å; R160-N195 PolarHBondContact NE-O 2.84Å; R160-V197 HydrophobicContact CG-CG1 4.34Å; R160-F230 HydrophobicContact CB-CE2 3.89Å |
| 161 | K | 96.4 | Very high | 95.9 | Very high | 93 Ų | 93 | 55.8 Ų | 55.8 | 40% | 0.404 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.1 | -42.2 | 178.5 | -177.5 | 66.8 | 172.8 | -170.4 | 0 | 111.7 | S157 A158 K165 A318 | S157-K161 WeakPolarHBondContact O-CB 3.17Å; S157-K161 PolarHBondContact O-N 3.11Å; A158-K161 PolarHBondContact O-N 3.43Å; K161-K165 WeakPolarHBondContact O-CG 3.35Å; K161-K165 PolarHBondContact O-N 3.37Å; K161-A318 HydrophobicContact CB-CB 4.21Å; K161-A318 HydrophobicContact CG-CB 4.42Å |
| 162 | L | 96 | Very high | 95.6 | Very high | 40 Ų | 40 | 60 Ų | 60 | 21% | 0.209 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.3 | -46.2 | 176.2 | -69.3 | 173.2 | 0 | 0 | 0 | 111.9 | A158 A159 R160 L164 K165 N166 W260 N314 | A158-L162 WeakPolarHBondContact O-CG 3.25Å; A158-L162 PolarHBondContact O-N 2.78Å; A159-L162 PolarHBondContact O-N 3.47Å; R160-L162 VanDerWaalsContact C-N 3.29Å; R160-L162 PolarHBondContact O-N 3.32Å; L162-L164 VanDerWaalsContact C-N 3.3Å; L162-L164 PolarHBondContact O-N 2.86Å; L162-K165 WeakPolarHBondContact O-CB 3.08Å; L162-K165 PolarHBondContact O-N 2.97Å; L162-K165 VanDerWaalsContact O-N 3.08Å; L162-N166 PolarHBondContact O-N 3.2Å; L162-W260 HydrophobicContact CD1-CE3 3.92Å; L162-W260 HydrophobicContact CD1-CZ3 3.5Å; L162-W260 VanDerWaalsContact CD1-CZ3 3.5Å; L162-N314 HydrophobicContact CD1-CB 4.06Å |
| 163 | A | 96.8 | Very high | 95.3 | Very high | 19 Ų | 19 | 62.6 Ų | 62.6 | 16% | 0.157 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.5 | -43.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A159 R160 K165 N166 L167 L176 F230 | A159-A163 WeakPolarHBondContact O-CB 3.46Å; A159-A163 PolarHBondContact O-N 3.26Å; R160-A163 PolarHBondContact O-N 3.48Å; A163-K165 VanDerWaalsContact C-N 3.29Å; A163-K165 PolarHBondContact O-N 2.73Å; A163-N166 CarbonylContact O-C 3.59Å; A163-N166 PolarHBondContact O-N 2.85Å; A163-L167 WeakPolarHBondContact O-CG 3.33Å; A163-L167 PolarHBondContact O-N 2.86Å; A163-L176 HydrophobicContact CB-CD1 4.42Å; A163-L176 HydrophobicContact CB-CD2 3.85Å; A163-F230 HydrophobicContact CB-CB 3.77Å; A163-F230 HydrophobicContact CB-CD2 4.22Å; A163-F230 HydrophobicContact CB-CG 4.25Å |
| 164 | L | 96 | Very high | 95.2 | Very high | 55 Ų | 55 | 63.6 Ų | 63.6 | 29% | 0.288 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.7 | -34 | 176.3 | -70.5 | 176.7 | 0 | 0 | 0 | 113.6 | R160 L162 N166 L167 L176 | R160-L164 HydrophobicContact CG-CD1 4.14Å; R160-L164 HydrophobicContact CG-CG 4.33Å; R160-L164 WeakPolarHBondContact O-CB 3.37Å; R160-L164 VanDerWaalsContact O-CG 3.22Å; R160-L164 WeakPolarHBondContact O-CG 3.06Å; R160-L164 PolarHBondContact O-N 2.96Å; L162-L164 VanDerWaalsContact C-N 3.3Å; L162-L164 PolarHBondContact O-N 2.86Å; L164-N166 PolarHBondContact O-N 2.91Å; L164-L167 HydrophobicContact CD2-CD1 3.83Å; L164-L176 HydrophobicContact CD2-CD1 3.81Å; L164-L176 HydrophobicContact CG-CD1 4.17Å |
| 165 | K | 94.1 | Very high | 95.2 | Very high | 115 Ų | 115 | 65.9 Ų | 65.9 | 50% | 0.5 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -70.4 | -24 | 175.7 | -71.8 | 178.8 | -179.7 | -175.3 | 0 | 112.5 | K161 L162 A163 | K161-K165 WeakPolarHBondContact O-CG 3.35Å; K161-K165 PolarHBondContact O-N 3.37Å; L162-K165 WeakPolarHBondContact O-CB 3.08Å; L162-K165 PolarHBondContact O-N 2.97Å; L162-K165 VanDerWaalsContact O-N 3.08Å; A163-K165 VanDerWaalsContact C-N 3.29Å; A163-K165 PolarHBondContact O-N 2.73Å |
| 166 | N | 93.2 | Very high | 95.2 | Very high | 131 Ų | 131 | 65.9 Ų | 65.9 | 70% | 0.701 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | 3.1 | -174.7 | -64.8 | -19.3 | 0 | 0 | 0 | 113.2 | L162 A163 L164 | L162-N166 PolarHBondContact O-N 3.2Å; A163-N166 CarbonylContact O-C 3.59Å; A163-N166 PolarHBondContact O-N 2.85Å; L164-N166 PolarHBondContact O-N 2.91Å |
| 167 | L | 93.9 | Very high | 95.2 | Very high | 40 Ų | 40 | 66.2 Ų | 66.2 | 21% | 0.209 | 34% | 0.339 | C | S | . | . | trans | -67.3 | 140.1 | 175.8 | -66.3 | -176.5 | 0 | 0 | 0 | 110.8 | A163 L164 Q171 L176 I228 | A163-L167 WeakPolarHBondContact O-CG 3.33Å; A163-L167 PolarHBondContact O-N 2.86Å; L164-L167 HydrophobicContact CD2-CD1 3.83Å; L167-Q171 HydrophobicContact CB-CB 4.22Å; L167-Q171 HydrophobicContact CD2-CB 4.03Å; L167-L176 HydrophobicContact CD2-CD2 4.39Å; L167-I228 HydrophobicContact CD2-CD1 3.65Å; L167-I228 HydrophobicContact CD2-CG2 4.27Å | ||
| 168 | T | 92.2 | Very high | 95.2 | Very high | 79 Ų | 79 | 65.5 Ų | 65.5 | 49% | 0.485 | 33% | 0.334 | S | S | . | . | trans | -75.1 | 163.6 | 166.5 | 69.3 | 0 | 0 | 0 | 0 | 110.6 | E170 Q171 | T168-E170 PolarHBondContact O-N 2.81Å; T168-E170 VanDerWaalsContact O-N 3.15Å; T168-Q171 PolarHBondContact O-N 3.4Å; T168-Q171 WeakPolarHBondContact OG1-CG 3.34Å; T168-Q171 PolarHBondContact OG1-OE1 2.98Å | ||
| 169 | E | 89.7 | Confident | 95.3 | Very high | 207 Ų | 207 | 65.5 Ų | 65.5 | 97% | 0.967 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -26.7 | 178.6 | -65.2 | -174 | 166.5 | 0 | 0 | 113.3 | ||
| 170 | E | 89.1 | Confident | 95.3 | Very high | 189 Ų | 189 | 65.3 Ų | 65.3 | 88% | 0.883 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -17.2 | 179.7 | -61.6 | 178.9 | 173.4 | 0 | 0 | 113.1 | T168 | T168-E170 PolarHBondContact O-N 2.81Å; T168-E170 VanDerWaalsContact O-N 3.15Å |
| 171 | Q | 92.2 | Very high | 95.3 | Very high | 76 Ų | 76 | 62 Ų | 62 | 36% | 0.355 | 32% | 0.32 | S | S | . | . | trans | -87.7 | 130.5 | -174.3 | -78.7 | 176.6 | -35.5 | 0 | 0 | 112.1 | L167 T168 I228 | L167-Q171 HydrophobicContact CB-CB 4.22Å; L167-Q171 HydrophobicContact CD2-CB 4.03Å; T168-Q171 PolarHBondContact O-N 3.4Å; T168-Q171 WeakPolarHBondContact OG1-CG 3.34Å; T168-Q171 PolarHBondContact OG1-OE1 2.98Å; Q171-I228 HydrophobicContact CB-CD1 3.65Å; Q171-I228 HydrophobicContact CG-CD1 3.71Å | ||
| 172 | N | 92.4 | Very high | 95.4 | Very high | 87 Ų | 87 | 62 Ų | 62 | 47% | 0.465 | 32% | 0.322 | S | S | . | . | trans | -90.4 | 127.1 | 176.6 | -168.3 | -19.7 | 0 | 0 | 0 | 111.4 | S174 N175 | N172-S174 PolarHBondContact ND2-OG 3.36Å; N172-S174 PolarHBondContact O-N 3.16Å; N172-S174 VanDerWaalsContact O-N 3.09Å; N172-S174 PolarHBondContact OD1-N 3.05Å; N172-S174 PolarHBondContact OD1-OG 3.17Å; N172-S174 VanDerWaalsContact OD1-OG 3.12Å; N172-N175 VanDerWaalsContact O-CB 3.28Å; N172-N175 WeakPolarHBondContact O-CB 3.18Å; N172-N175 PolarHBondContact O-N 3.13Å | ||
| 173 | S | 93.7 | Very high | 95.5 | Very high | 55 Ų | 55 | 62.4 Ų | 62.4 | 39% | 0.385 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -53.6 | -26.4 | 173.6 | 64.6 | 0 | 0 | 0 | 0 | 115 | N175 L176 | S173-N175 PolarHBondContact O-N 3.17Å; S173-L176 WeakPolarHBondContact O-CG 3.33Å; S173-L176 PolarHBondContact O-N 3.02Å |
| 174 | S | 95.6 | Very high | 95.6 | Very high | 59 Ų | 59 | 62.5 Ų | 62.5 | 41% | 0.413 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -70.1 | -10.5 | 175.3 | 65.6 | 0 | 0 | 0 | 0 | 114 | N172 K198 | N172-S174 PolarHBondContact ND2-OG 3.36Å; N172-S174 PolarHBondContact O-N 3.16Å; N172-S174 VanDerWaalsContact O-N 3.09Å; N172-S174 PolarHBondContact OD1-N 3.05Å; N172-S174 PolarHBondContact OD1-OG 3.17Å; N172-S174 VanDerWaalsContact OD1-OG 3.12Å; S174-K198 VanDerWaalsContact O-CE 3.25Å; S174-K198 WeakPolarHBondContact O-CE 3.19Å |
| 175 | N | 97.8 | Very high | 95.7 | Very high | 47 Ų | 47 | 62.9 Ų | 62.9 | 25% | 0.251 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -93.1 | -0.9 | -178.4 | -66.3 | -1.8 | 0 | 0 | 0 | 112.8 | N172 S173 I177 G226 L227 I228 | N172-N175 VanDerWaalsContact O-CB 3.28Å; N172-N175 WeakPolarHBondContact O-CB 3.18Å; N172-N175 PolarHBondContact O-N 3.13Å; S173-N175 PolarHBondContact O-N 3.17Å; N175-I177 PolarHBondContact O-N 3.21Å; N175-G226 PolarHBondContact ND2-O 3.08Å; N175-G226 VanDerWaalsContact ND2-O 3.15Å; N175-L227 HydrophobicContact CB-CD2 4.15Å; N175-L227 WeakPolarHBondContact O-CA 3.46Å; N175-I228 HydrophobicContact CB-CD1 4.25Å; N175-I228 HydrophobicContact CB-CG1 4.24Å; N175-I228 PolarHBondContact O-N 3.34Å |
| 176 | L | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 129.5 | 171.9 | -69.1 | 178.4 | 0 | 0 | 0 | 110.7 | R160 A163 L164 L167 S173 V197 K198 I228 F230 | R160-L176 HydrophobicContact CG-CD1 3.95Å; A163-L176 HydrophobicContact CB-CD1 4.42Å; A163-L176 HydrophobicContact CB-CD2 3.85Å; L164-L176 HydrophobicContact CD2-CD1 3.81Å; L164-L176 HydrophobicContact CG-CD1 4.17Å; L167-L176 HydrophobicContact CD2-CD2 4.39Å; S173-L176 WeakPolarHBondContact O-CG 3.33Å; S173-L176 PolarHBondContact O-N 3.02Å; L176-V197 HydrophobicContact CB-CG1 4.07Å; L176-K198 PolarHBondContact O-N 2.72Å; L176-I228 WeakPolarHBondContact CA-O 3.41Å; L176-I228 HydrophobicContact CD2-CB 4.09Å; L176-I228 HydrophobicContact CD2-CG2 3.92Å; L176-F230 HydrophobicContact CB-CD1 3.73Å; L176-F230 HydrophobicContact CB-CE1 3.89Å; L176-F230 HydrophobicContact CB-CG 4.48Å; L176-F230 HydrophobicContact CD2-CB 4.01Å; L176-F230 HydrophobicContact CD2-CD1 4.11Å; L176-F230 HydrophobicContact CD2-CG 4.11Å; L176-F230 HydrophobicContact CG-CD1 4.4Å |
| 177 | I | 98.8 | Very high | 96.1 | Very high | 8 Ų | 8 | 54.6 Ų | 54.6 | 4% | 0.041 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 133.6 | -179.9 | -171.4 | 152.5 | 0 | 0 | 0 | 112.4 | N175 Y179 K198 H200 D222 L227 I228 P229 F230 | N175-I177 PolarHBondContact O-N 3.21Å; I177-Y179 HydrophobicContact CG2-CE2 3.94Å; I177-Y179 VanDerWaalsContact CG2-OH 3.26Å; I177-Y179 WeakPolarHBondContact CG2-OH 3.49Å; I177-K198 WeakPolarHBondContact CA-O 3.17Å; I177-K198 HydrophobicContact CB-CB 4.04Å; I177-K198 HydrophobicContact CD1-CB 3.93Å; I177-K198 HydrophobicContact CG1-CB 3.92Å; I177-H200 HydrophobicContact CD1-CB 4.04Å; I177-H200 HydrophobicContact CG1-CB 4.24Å; I177-D222 WeakPolarHBondContact CD1-OD2 3.32Å; I177-D222 HydrophobicContact CG2-CB 4.48Å; I177-L227 HydrophobicContact CB-CB 4.44Å; I177-L227 HydrophobicContact CD1-CD1 3.57Å; I177-L227 HydrophobicContact CG2-CB 3.84Å; I177-I228 PolarHBondContact N-O 2.96Å; I177-P229 HydrophobicContact CG2-CG 4.43Å; I177-F230 WeakPolarHBondContact O-CD1 3.35Å; I177-F230 PolarHBondContact O-N 3.13Å |
| 178 | A | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 148.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | M156 K198 F199 H200 F230 F231 | M156-A178 HydrophobicContact CE-CB 4Å; A178-K198 PolarHBondContact N-O 3.04Å; A178-F199 HydrophobicContact CB-CD2 4.49Å; A178-F199 WeakPolarHBondContact O-CA 3.26Å; A178-H200 PolarHBondContact O-N 3.41Å; A178-F230 HydrophobicContact CB-CE1 3.95Å; A178-F230 HydrophobicContact CB-CZ 4.15Å; A178-F231 CarbonylContact C-O 3.52Å; A178-F231 WeakPolarHBondContact CA-O 3.26Å; A178-F231 HydrophobicContact CB-CB 4.02Å; A178-F231 HydrophobicContact CB-CD1 4Å; A178-F231 HydrophobicContact CB-CG 4.45Å |
| 179 | Y | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 146.3 | -178 | -54.6 | -94.3 | 0 | 0 | 0 | 111.4 | I177 H200 V202 L215 A218 I219 D222 P229 F231 V232 C233 | I177-Y179 HydrophobicContact CG2-CE2 3.94Å; I177-Y179 VanDerWaalsContact CG2-OH 3.26Å; I177-Y179 WeakPolarHBondContact CG2-OH 3.49Å; Y179-H200 HydrophobicContact CD1-CB 3.7Å; Y179-H200 HydrophobicContact CE1-CB 3.85Å; Y179-H200 AromaticContact CE1-ND1 3.95Å; Y179-V202 HydrophobicContact CD1-CG2 3.99Å; Y179-L215 HydrophobicContact CD1-CD1 4.15Å; Y179-L215 HydrophobicContact CG-CD1 3.91Å; Y179-A218 HydrophobicContact CD1-CB 4.22Å; Y179-A218 HydrophobicContact CE1-CB 4.05Å; Y179-I219 HydrophobicContact CE1-CG1 4.28Å; Y179-I219 HydrophobicContact CE2-CG1 4.15Å; Y179-D222 VanDerWaalsContact CE1-OD2 3.25Å; Y179-D222 WeakPolarHBondContact CE1-OD2 3.42Å; Y179-D222 VanDerWaalsContact OH-CB 3.27Å; Y179-D222 WeakPolarHBondContact OH-CB 3.19Å; Y179-D222 PolarHBondContact OH-OD2 3.18Å; Y179-D222 VanDerWaalsContact OH-OD2 3.11Å; Y179-P229 HydrophobicContact CE2-CB 3.7Å; Y179-P229 HydrophobicContact CE2-CG 4.2Å; Y179-P229 WeakPolarHBondContact OH-CG 3.28Å; Y179-F231 PolarHBondContact N-O 2.9Å; Y179-V232 HydrophobicContact CD2-CG2 4.29Å; Y179-V232 CarbonylContact O-C 3.5Å; Y179-V232 WeakPolarHBondContact O-CA 3.26Å; Y179-C233 PolarHBondContact O-N 3.04Å |
| 180 | A | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 166.7 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109 | A184 V188 F199 H200 P201 V202 C233 | A180-A184 HydrophobicContact CB-CB 3.69Å; A180-V188 HydrophobicContact CB-CB 4.46Å; A180-V188 HydrophobicContact CB-CG1 3.9Å; A180-F199 HydrophobicContact CB-CE2 3.9Å; A180-F199 HydrophobicContact CB-CZ 4.11Å; A180-H200 PolarHBondContact N-O 2.99Å; A180-P201 CarbonylContact O-C 3.6Å; A180-P201 WeakPolarHBondContact O-CA 3.45Å; A180-V202 PolarHBondContact O-N 3.01Å; A180-C233 HydrophobicContact CB-CB 3.99Å |
| 181 | S | 98.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.014 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.3 | 144.3 | 168.2 | -173.7 | 0 | 0 | 0 | 0 | 110.9 | Q183 A184 V202 M210 | S181-Q183 PolarHBondContact O-N 3.38Å; S181-Q183 VanDerWaalsContact O-N 3.08Å; S181-Q183 WeakPolarHBondContact OG-CB 3.18Å; S181-Q183 PolarHBondContact OG-N 3.15Å; S181-Q183 VanDerWaalsContact OG-N 3.14Å; S181-A184 WeakPolarHBondContact O-CB 3.33Å; S181-A184 PolarHBondContact O-N 2.83Å; S181-V202 CarbonylContact C-O 3.58Å; S181-M210 PolarHBondContact N-SD 2.93Å |
| 182 | E | 98.2 | Very high | 97.9 | Very high | 93 Ų | 93 | 39.1 Ų | 39.1 | 44% | 0.435 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -16.6 | 165.4 | 70.6 | -172.9 | 169.5 | 0 | 0 | 112.5 | P201 V202 S204 | E182-P201 HydrophobicContact CB-CB 4.15Å; E182-V202 PolarHBondContact N-O 2.72Å; E182-S204 PolarHBondContact OE1-N 3.41Å; E182-S204 PolarHBondContact OE1-OG 3.49Å |
| 183 | Q | 98.2 | Very high | 98.1 | Very high | 49 Ų | 49 | 41.3 Ų | 41.3 | 23% | 0.229 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -3 | 175 | -53.7 | -63.4 | -35.5 | 0 | 0 | 113.3 | S181 C208 T238 | S181-Q183 PolarHBondContact O-N 3.38Å; S181-Q183 VanDerWaalsContact O-N 3.08Å; S181-Q183 WeakPolarHBondContact OG-CB 3.18Å; S181-Q183 PolarHBondContact OG-N 3.15Å; S181-Q183 VanDerWaalsContact OG-N 3.14Å; Q183-C208 HydrophobicContact CG-CB 3.98Å; Q183-T238 HydrophobicContact CB-CG2 3.85Å |
| 184 | A | 98.3 | Very high | 98.3 | Very high | 20 Ų | 20 | 43.9 Ų | 43.9 | 17% | 0.165 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -61.4 | 154.6 | 178 | 0 | 0 | 0 | 0 | 0 | 110.8 | A180 S181 V188 | A180-A184 HydrophobicContact CB-CB 3.69Å; S181-A184 WeakPolarHBondContact O-CB 3.33Å; S181-A184 PolarHBondContact O-N 2.83Å; A184-V188 HydrophobicContact CB-CG2 4.16Å |
| 185 | H | 98.4 | Very high | 98.4 | Very high | 64 Ų | 64 | 41.8 Ų | 41.8 | 30% | 0.296 | 21% | 0.207 | S | C | . | . | trans | -65.8 | 145.1 | 177.4 | -177.2 | -101.5 | 0 | 0 | 0 | 110.7 | S187 V188 T239 | H185-S187 VanDerWaalsContact ND1-CB 3.27Å; H185-S187 WeakPolarHBondContact ND1-CB 3.47Å; H185-S187 PolarHBondContact ND1-N 2.85Å; H185-S187 VanDerWaalsContact ND1-N 3.16Å; H185-S187 PolarHBondContact ND1-OG 2.93Å; H185-S187 PolarHBondContact O-N 3.48Å; H185-V188 PolarHBondContact O-N 3.07Å; H185-T239 PolarHBondContact CD2-OG1 2.91Å | ||
| 186 | S | 98.2 | Very high | 98.4 | Very high | 69 Ų | 69 | 46.5 Ų | 46.5 | 48% | 0.483 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -14 | 179.8 | 61.2 | 0 | 0 | 0 | 0 | 114.9 | V188 R190 | S186-V188 PolarHBondContact O-N 2.83Å; S186-R190 WeakPolarHBondContact O-CB 3.33Å; S186-R190 PolarHBondContact O-N 3.25Å |
| 187 | S | 98.4 | Very high | 98.4 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.5 | -28.4 | 171.7 | 52.8 | 0 | 0 | 0 | 0 | 113.6 | S149 H185 A191 | S149-S187 WeakPolarHBondContact OG-CB 3.3Å; H185-S187 VanDerWaalsContact ND1-CB 3.27Å; H185-S187 WeakPolarHBondContact ND1-CB 3.47Å; H185-S187 PolarHBondContact ND1-N 2.85Å; H185-S187 VanDerWaalsContact ND1-N 3.16Å; H185-S187 PolarHBondContact ND1-OG 2.93Å; H185-S187 PolarHBondContact O-N 3.48Å; S187-A191 WeakPolarHBondContact O-CB 3.35Å; S187-A191 PolarHBondContact O-N 2.98Å |
| 188 | V | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -71 | -48.7 | 179.1 | -173.1 | 0 | 0 | 0 | 0 | 110.8 | V152 M156 A180 A184 H185 S186 R190 A191 A192 F199 C233 | V152-V188 HydrophobicContact CG1-CB 4.49Å; V152-V188 HydrophobicContact CG1-CG2 4.19Å; M156-V188 HydrophobicContact CE-CG1 4.26Å; A180-V188 HydrophobicContact CB-CB 4.46Å; A180-V188 HydrophobicContact CB-CG1 3.9Å; A184-V188 HydrophobicContact CB-CG2 4.16Å; H185-V188 PolarHBondContact O-N 3.07Å; S186-V188 PolarHBondContact O-N 2.83Å; V188-R190 VanDerWaalsContact C-N 3.3Å; V188-R190 PolarHBondContact O-N 3.48Å; V188-A191 WeakPolarHBondContact O-CB 3.37Å; V188-A191 PolarHBondContact O-N 3.02Å; V188-A191 VanDerWaalsContact O-N 3.14Å; V188-A192 PolarHBondContact O-N 2.94Å; V188-F199 HydrophobicContact CB-CE2 4.46Å; V188-F199 HydrophobicContact CG1-CD2 4.44Å; V188-F199 HydrophobicContact CG1-CE2 3.72Å; V188-F199 HydrophobicContact CG1-CZ 4.27Å; V188-C233 HydrophobicContact CG1-CB 4.01Å; V188-C233 HydrophobicContact CG2-CB 4.08Å |
| 189 | E | 98.6 | Very high | 98.4 | Very high | 107 Ų | 107 | 54.2 Ų | 54.2 | 50% | 0.5 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.2 | -43.7 | 173.4 | -176.2 | 177.4 | -155.3 | 0 | 0 | 110.7 | A191 A192 M193 F199 | E189-A191 VanDerWaalsContact C-N 3.33Å; E189-A191 PolarHBondContact O-N 3.38Å; E189-A192 WeakPolarHBondContact O-CB 3.31Å; E189-A192 PolarHBondContact O-N 2.88Å; E189-A192 VanDerWaalsContact O-N 3.13Å; E189-M193 WeakPolarHBondContact O-CG 3.31Å; E189-M193 PolarHBondContact O-N 3.46Å; E189-F199 HydrophobicContact CB-CD1 3.94Å; E189-F199 HydrophobicContact CB-CE1 3.86Å; E189-F199 HydrophobicContact CG-CD1 3.93Å; E189-F199 HydrophobicContact CG-CE1 4.26Å |
| 190 | R | 98.5 | Very high | 98.4 | Very high | 156 Ų | 156 | 56.7 Ų | 56.7 | 59% | 0.589 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -60.3 | -40.3 | 174.8 | -174.1 | 175.8 | -66.4 | -177.1 | -0.2 | 112.5 | S186 V188 A192 M193 L194 | S186-R190 WeakPolarHBondContact O-CB 3.33Å; S186-R190 PolarHBondContact O-N 3.25Å; V188-R190 VanDerWaalsContact C-N 3.3Å; V188-R190 PolarHBondContact O-N 3.48Å; R190-A192 VanDerWaalsContact C-N 3.31Å; R190-A192 PolarHBondContact O-N 3.08Å; R190-M193 PolarHBondContact O-N 3.31Å; R190-L194 HydrophobicContact CG-CD1 4.29Å; R190-L194 WeakPolarHBondContact O-CG 3.14Å; R190-L194 PolarHBondContact O-N 3.23Å |
| 191 | A | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.008 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.9 | -38.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V152 H153 M156 S187 V188 E189 L194 N195 | V152-A191 HydrophobicContact CG1-CB 3.82Å; H153-A191 HydrophobicContact CB-CB 4.36Å; M156-A191 HydrophobicContact CE-CB 3.91Å; M156-A191 HydrophobicContact SD-CB 4.01Å; S187-A191 WeakPolarHBondContact O-CB 3.35Å; S187-A191 PolarHBondContact O-N 2.98Å; V188-A191 WeakPolarHBondContact O-CB 3.37Å; V188-A191 PolarHBondContact O-N 3.02Å; V188-A191 VanDerWaalsContact O-N 3.14Å; E189-A191 VanDerWaalsContact C-N 3.33Å; E189-A191 PolarHBondContact O-N 3.38Å; A191-L194 PolarHBondContact O-N 3.34Å; A191-N195 WeakPolarHBondContact O-CB 3.31Å; A191-N195 PolarHBondContact O-N 3.19Å; A191-N195 PolarHBondContact O-ND2 2.94Å |
| 192 | A | 98.6 | Very high | 98.4 | Very high | 2 Ų | 2 | 60 Ų | 60 | 2% | 0.017 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.1 | -43.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | M156 V188 E189 R190 N195 L196 V197 F199 | M156-A192 HydrophobicContact CE-CB 4.23Å; M156-A192 WeakPolarHBondContact SD-CA 3.49Å; M156-A192 HydrophobicContact SD-CB 4.06Å; M156-A192 PolarHBondContact SD-N 3Å; M156-A192 VanDerWaalsContact SD-N 3.37Å; V188-A192 PolarHBondContact O-N 2.94Å; E189-A192 WeakPolarHBondContact O-CB 3.31Å; E189-A192 PolarHBondContact O-N 2.88Å; E189-A192 VanDerWaalsContact O-N 3.13Å; R190-A192 VanDerWaalsContact C-N 3.31Å; R190-A192 PolarHBondContact O-N 3.08Å; A192-N195 CarbonylContact O-C 3.48Å; A192-N195 PolarHBondContact O-N 3.22Å; A192-L196 PolarHBondContact O-N 3.3Å; A192-V197 HydrophobicContact CB-CG2 3.82Å; A192-V197 PolarHBondContact O-N 3.23Å; A192-V197 VanDerWaalsContact O-N 3.1Å; A192-F199 HydrophobicContact CB-CB 3.81Å; A192-F199 HydrophobicContact CB-CD2 4.49Å; A192-F199 HydrophobicContact CB-CG 4.32Å |
| 193 | M | 98.2 | Very high | 98.4 | Very high | 132 Ų | 132 | 63.1 Ų | 63.1 | 65% | 0.65 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -59 | -48 | 174 | -66.3 | 173.5 | 69.7 | 0 | 0 | 112 | E189 R190 N195 L196 | E189-M193 WeakPolarHBondContact O-CG 3.31Å; E189-M193 PolarHBondContact O-N 3.46Å; R190-M193 PolarHBondContact O-N 3.31Å; M193-N195 PolarHBondContact O-N 3.09Å; M193-L196 PolarHBondContact O-N 2.86Å |
| 194 | L | 97.9 | Very high | 98.4 | Very high | 110 Ų | 110 | 61.6 Ų | 61.6 | 58% | 0.576 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -64.7 | -29.8 | 179.6 | -70.8 | 171.4 | 0 | 0 | 0 | 112.7 | R190 A191 | R190-L194 HydrophobicContact CG-CD1 4.29Å; R190-L194 WeakPolarHBondContact O-CG 3.14Å; R190-L194 PolarHBondContact O-N 3.23Å; A191-L194 PolarHBondContact O-N 3.34Å |
| 195 | N | 97.6 | Very high | 98.3 | Very high | 14 Ų | 14 | 62.7 Ų | 62.7 | 8% | 0.075 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -90.4 | -1.6 | 178.2 | -81.9 | -77.2 | 0 | 0 | 0 | 114.1 | H153 M156 S157 R160 A191 A192 M193 V197 | H153-N195 PolarHBondContact ND1-ND2 2.93Å; M156-N195 HydrophobicContact CG-CB 4.48Å; M156-N195 HydrophobicContact SD-CB 4.22Å; S157-N195 VanDerWaalsContact CA-OD1 3.3Å; S157-N195 WeakPolarHBondContact CA-OD1 3.36Å; S157-N195 PolarHBondContact OG-ND2 3.47Å; S157-N195 PolarHBondContact OG-OD1 3.22Å; S157-N195 VanDerWaalsContact OG-OD1 3.06Å; R160-N195 WeakPolarHBondContact CD-O 2.98Å; R160-N195 PolarHBondContact NE-O 2.84Å; A191-N195 WeakPolarHBondContact O-CB 3.31Å; A191-N195 PolarHBondContact O-N 3.19Å; A191-N195 PolarHBondContact O-ND2 2.94Å; A192-N195 CarbonylContact O-C 3.48Å; A192-N195 PolarHBondContact O-N 3.22Å; M193-N195 PolarHBondContact O-N 3.09Å; N195-V197 VanDerWaalsContact C-N 3.29Å; N195-V197 HydrophobicContact CB-CG1 4.36Å; N195-V197 HydrophobicContact CB-CG2 4.15Å; N195-V197 PolarHBondContact O-N 3.09Å |
| 196 | L | 97.5 | Very high | 98.2 | Very high | 147 Ų | 147 | 67.1 Ų | 67.1 | 77% | 0.77 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 43.7 | -177.1 | -52.4 | 175.6 | 0 | 0 | 0 | 112.6 | A192 M193 | A192-L196 PolarHBondContact O-N 3.3Å; M193-L196 PolarHBondContact O-N 2.86Å |
| 197 | V | 98.3 | Very high | 98.2 | Very high | 18 Ų | 18 | 67.3 Ų | 67.3 | 11% | 0.109 | 33% | 0.33 | C | S | . | . | trans | -116 | 157 | 177.4 | -63.8 | 0 | 0 | 0 | 0 | 110.9 | M156 R160 L176 A192 N195 F230 | M156-V197 HydrophobicContact SD-CG2 3.86Å; R160-V197 HydrophobicContact CG-CG1 4.34Å; L176-V197 HydrophobicContact CB-CG1 4.07Å; A192-V197 HydrophobicContact CB-CG2 3.82Å; A192-V197 PolarHBondContact O-N 3.23Å; A192-V197 VanDerWaalsContact O-N 3.1Å; N195-V197 VanDerWaalsContact C-N 3.29Å; N195-V197 HydrophobicContact CB-CG1 4.36Å; N195-V197 HydrophobicContact CB-CG2 4.15Å; N195-V197 PolarHBondContact O-N 3.09Å; V197-F230 HydrophobicContact CB-CE1 4Å; V197-F230 HydrophobicContact CB-CZ 4.12Å; V197-F230 HydrophobicContact CG1-CE1 4Å; V197-F230 HydrophobicContact CG1-CZ 3.87Å; V197-F230 HydrophobicContact CG2-CE1 4.17Å; V197-F230 HydrophobicContact CG2-CZ 3.95Å | ||
| 198 | K | 98.6 | Very high | 98.1 | Very high | 97 Ų | 97 | 68.1 Ų | 68.1 | 42% | 0.422 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 151.2 | 173.2 | -65.1 | 166.1 | -179.3 | -90.2 | 0 | 109.8 | S174 L176 I177 A178 L227 | S174-K198 VanDerWaalsContact O-CE 3.25Å; S174-K198 WeakPolarHBondContact O-CE 3.19Å; L176-K198 PolarHBondContact O-N 2.72Å; I177-K198 WeakPolarHBondContact CA-O 3.17Å; I177-K198 HydrophobicContact CB-CB 4.04Å; I177-K198 HydrophobicContact CD1-CB 3.93Å; I177-K198 HydrophobicContact CG1-CB 3.92Å; A178-K198 PolarHBondContact N-O 3.04Å; K198-L227 HydrophobicContact CD-CD1 4.24Å; K198-L227 HydrophobicContact CD-CD2 3.63Å |
| 199 | F | 98.7 | Very high | 98.1 | Very high | 54 Ų | 54 | 72 Ų | 72 | 24% | 0.237 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 129.9 | 178.5 | 178.6 | -119.5 | 0 | 0 | 0 | 110.4 | A178 A180 V188 E189 A192 P201 | A178-F199 HydrophobicContact CB-CD2 4.49Å; A178-F199 WeakPolarHBondContact O-CA 3.26Å; A180-F199 HydrophobicContact CB-CE2 3.9Å; A180-F199 HydrophobicContact CB-CZ 4.11Å; V188-F199 HydrophobicContact CB-CE2 4.46Å; V188-F199 HydrophobicContact CG1-CD2 4.44Å; V188-F199 HydrophobicContact CG1-CE2 3.72Å; V188-F199 HydrophobicContact CG1-CZ 4.27Å; E189-F199 HydrophobicContact CB-CD1 3.94Å; E189-F199 HydrophobicContact CB-CE1 3.86Å; E189-F199 HydrophobicContact CG-CD1 3.93Å; E189-F199 HydrophobicContact CG-CE1 4.26Å; A192-F199 HydrophobicContact CB-CB 3.81Å; A192-F199 HydrophobicContact CB-CD2 4.49Å; A192-F199 HydrophobicContact CB-CG 4.32Å; F199-P201 HydrophobicContact CE1-CB 4.22Å |
| 200 | H | 98.7 | Very high | 98.1 | Very high | 53 Ų | 53 | 66.9 Ų | 66.9 | 25% | 0.245 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 106.9 | 176 | -165.2 | 147.1 | 0 | 0 | 0 | 109.8 | I177 A178 Y179 A180 V202 D222 | I177-H200 HydrophobicContact CD1-CB 4.04Å; I177-H200 HydrophobicContact CG1-CB 4.24Å; A178-H200 PolarHBondContact O-N 3.41Å; Y179-H200 HydrophobicContact CD1-CB 3.7Å; Y179-H200 HydrophobicContact CE1-CB 3.85Å; Y179-H200 AromaticContact CE1-ND1 3.95Å; A180-H200 PolarHBondContact N-O 2.99Å; H200-V202 PolarHBondContact O-N 3.46Å; H200-D222 IonicContact CE1-OD2 2.9Å; H200-D222 IonicContact CG-OD2 3.27Å; H200-D222 IonicContact ND1-OD1 2.77Å; H200-D222 IonicContact ND1-OD2 3.59Å; H200-D222 PolarHBondContact ND1-OD2 2.93Å |
| 201 | P | 98.7 | Very high | 98.1 | Very high | 68 Ų | 68 | 61.1 Ų | 61.1 | 44% | 0.442 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 108.7 | 168.9 | 28.8 | -31.7 | 0 | 0 | 0 | 110.2 | A180 E182 F199 | A180-P201 CarbonylContact O-C 3.6Å; A180-P201 WeakPolarHBondContact O-CA 3.45Å; E182-P201 HydrophobicContact CB-CB 4.15Å; F199-P201 HydrophobicContact CE1-CB 4.22Å |
| 202 | V | 98.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.012 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 129.5 | 180 | -179.3 | 0 | 0 | 0 | 0 | 109.4 | Y179 A180 S181 E182 H200 S204 M210 A214 L215 A218 | Y179-V202 HydrophobicContact CD1-CG2 3.99Å; A180-V202 PolarHBondContact O-N 3.01Å; S181-V202 CarbonylContact C-O 3.58Å; E182-V202 PolarHBondContact N-O 2.72Å; H200-V202 PolarHBondContact O-N 3.46Å; V202-S204 PolarHBondContact O-N 3.31Å; V202-M210 HydrophobicContact CB-CG 4.32Å; V202-M210 HydrophobicContact CB-SD 3.88Å; V202-M210 HydrophobicContact CG1-CG 4.04Å; V202-M210 HydrophobicContact CG1-SD 4.17Å; V202-M210 HydrophobicContact CG2-SD 4.09Å; V202-A214 HydrophobicContact CG1-CB 3.86Å; V202-L215 HydrophobicContact CG2-CD1 4.09Å; V202-A218 HydrophobicContact CG2-CB 4.22Å |
| 203 | K | 98.3 | Very high | 98.1 | Very high | 160 Ų | 160 | 64.1 Ų | 64.1 | 70% | 0.696 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -59 | 133.6 | 179 | -171.1 | -178.8 | 177.8 | -174.4 | 0 | 111 | ||
| 204 | S | 97.8 | Very high | 98.1 | Very high | 17 Ų | 17 | 59.1 Ų | 59.1 | 12% | 0.119 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -86.6 | 158.5 | 178.4 | 62.2 | 0 | 0 | 0 | 0 | 112.7 | E182 V202 R209 | E182-S204 PolarHBondContact OE1-N 3.41Å; E182-S204 PolarHBondContact OE1-OG 3.49Å; V202-S204 PolarHBondContact O-N 3.31Å; S204-R209 CarbonylContact C-O 3.56Å; S204-R209 WeakPolarHBondContact CA-O 3.38Å |
| 205 | D | 97.8 | Very high | 98.1 | Very high | 42 Ų | 42 | 53.9 Ų | 53.9 | 23% | 0.225 | 29% | 0.29 | C | S | . | . | trans | -73.9 | -179.9 | 171.2 | 75.6 | -2.3 | 0 | 0 | 0 | 112.2 | L207 C208 R209 T211 | D205-L207 PolarHBondContact O-N 2.89Å; D205-L207 VanDerWaalsContact O-N 3.08Å; D205-L207 VanDerWaalsContact OD1-C 3.27Å; D205-L207 WeakPolarHBondContact OD1-CA 3.37Å; D205-L207 WeakPolarHBondContact OD1-CB 3.31Å; D205-L207 PolarHBondContact OD1-N 3.03Å; D205-C208 WeakPolarHBondContact O-CA 3.21Å; D205-C208 PolarHBondContact O-N 3.12Å; D205-C208 PolarHBondContact OD1-N 2.73Å; D205-C208 VanDerWaalsContact OD1-N 3.14Å; D205-R209 PolarHBondContact N-O 3.03Å; D205-R209 WeakPolarHBondContact OD1-CB 3.28Å; D205-R209 PolarHBondContact OD1-N 2.85Å; D205-R209 IonicContact OD1-NE 3.57Å; D205-R209 IonicContact OD2-CZ 3.49Å; D205-R209 VanDerWaalsContact OD2-CZ 3.27Å; D205-R209 IonicContact OD2-NE 2.6Å; D205-R209 PolarHBondContact OD2-NE 2.86Å; D205-R209 IonicContact OD2-NH2 3.29Å; D205-R209 PolarHBondContact OD2-NH2 3.37Å; D205-T211 HydrophobicContact CB-CG2 4.1Å | ||
| 206 | D | 96.6 | Very high | 98.2 | Very high | 157 Ų | 157 | 55.6 Ų | 55.6 | 84% | 0.84 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -17.7 | 179.6 | -68.2 | -23.5 | 0 | 0 | 0 | 113.5 | C208 Q393 | D206-C208 VanDerWaalsContact C-N 3.34Å; D206-Q393 PolarHBondContact O-NE2 2.68Å |
| 207 | L | 96.4 | Very high | 98.2 | Very high | 74 Ų | 74 | 53.8 Ų | 53.8 | 39% | 0.387 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 11.5 | 175 | -58.9 | -179.6 | 0 | 0 | 0 | 112.3 | D205 R209 A243 P394 | D205-L207 PolarHBondContact O-N 2.89Å; D205-L207 VanDerWaalsContact O-N 3.08Å; D205-L207 VanDerWaalsContact OD1-C 3.27Å; D205-L207 WeakPolarHBondContact OD1-CA 3.37Å; D205-L207 WeakPolarHBondContact OD1-CB 3.31Å; D205-L207 PolarHBondContact OD1-N 3.03Å; L207-R209 VanDerWaalsContact C-N 3.3Å; L207-R209 HydrophobicContact CB-CG 4.11Å; L207-R209 PolarHBondContact O-N 2.75Å; L207-A243 WeakPolarHBondContact O-CB 3.45Å; L207-P394 HydrophobicContact CD2-CG 3.86Å |
| 208 | C | 97.5 | Very high | 98.3 | Very high | 19 Ų | 19 | 53.3 Ų | 53.3 | 13% | 0.128 | 28% | 0.283 | C | S | . | . | S | Bend | trans | 62.4 | 30.1 | -179.1 | -65.5 | 0 | 0 | 0 | 0 | 114.2 | Q183 D205 D206 A243 Q393 | Q183-C208 HydrophobicContact CG-CB 3.98Å; D205-C208 WeakPolarHBondContact O-CA 3.21Å; D205-C208 PolarHBondContact O-N 3.12Å; D205-C208 PolarHBondContact OD1-N 2.73Å; D205-C208 VanDerWaalsContact OD1-N 3.14Å; D206-C208 VanDerWaalsContact C-N 3.34Å; C208-A243 HydrophobicContact CB-CB 3.85Å; C208-A243 WeakPolarHBondContact O-CB 3.42Å; C208-Q393 PolarHBondContact SG-NE2 3.04Å |
| 209 | R | 98.1 | Very high | 98.3 | Very high | 82 Ų | 82 | 48.7 Ų | 48.7 | 31% | 0.309 | 26% | 0.263 | S | S | . | . | trans | -106.7 | 142.2 | 179.8 | -51.1 | 175.8 | -62.9 | 168.7 | 6.9 | 110.9 | S204 D205 L207 A243 V244 | S204-R209 CarbonylContact C-O 3.56Å; S204-R209 WeakPolarHBondContact CA-O 3.38Å; D205-R209 PolarHBondContact N-O 3.03Å; D205-R209 WeakPolarHBondContact OD1-CB 3.28Å; D205-R209 PolarHBondContact OD1-N 2.85Å; D205-R209 IonicContact OD1-NE 3.57Å; D205-R209 IonicContact OD2-CZ 3.49Å; D205-R209 VanDerWaalsContact OD2-CZ 3.27Å; D205-R209 IonicContact OD2-NE 2.6Å; D205-R209 PolarHBondContact OD2-NE 2.86Å; D205-R209 IonicContact OD2-NH2 3.29Å; D205-R209 PolarHBondContact OD2-NH2 3.37Å; L207-R209 VanDerWaalsContact C-N 3.3Å; L207-R209 HydrophobicContact CB-CG 4.11Å; L207-R209 PolarHBondContact O-N 2.75Å; R209-A243 HydrophobicContact CG-CB 4.24Å; R209-V244 WeakPolarHBondContact CD-O 3.47Å; R209-V244 WeakPolarHBondContact CG-O 3.09Å | ||
| 210 | M | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -73.5 | 130.5 | 161.6 | -176.1 | 167.5 | 67.7 | 0 | 0 | 109.2 | S181 V202 L215 V232 V234 D245 C246 I250 | S181-M210 PolarHBondContact N-SD 2.93Å; V202-M210 HydrophobicContact CB-CG 4.32Å; V202-M210 HydrophobicContact CB-SD 3.88Å; V202-M210 HydrophobicContact CG1-CG 4.04Å; V202-M210 HydrophobicContact CG1-SD 4.17Å; V202-M210 HydrophobicContact CG2-SD 4.09Å; M210-L215 HydrophobicContact SD-CD1 4.49Å; M210-V232 HydrophobicContact CE-CG1 3.78Å; M210-V234 HydrophobicContact CE-CG2 3.9Å; M210-D245 HydrophobicContact CB-CB 4.25Å; M210-D245 WeakPolarHBondContact CB-OD1 3.32Å; M210-D245 PolarHBondContact N-OD1 2.9Å; M210-C246 PolarHBondContact O-N 3.17Å; M210-I250 HydrophobicContact CB-CD1 4.31Å; M210-I250 HydrophobicContact CE-CD1 3.87Å; M210-I250 HydrophobicContact CG-CD1 4.03Å; M210-I250 WeakPolarHBondContact O-CD1 3.41Å | ||
| 211 | T | 98.6 | Very high | 98.3 | Very high | 34 Ų | 34 | 52.3 Ų | 52.3 | 21% | 0.209 | 28% | 0.279 | C | S | . | . | trans | -108.1 | 157.4 | 176.9 | 65.5 | 0 | 0 | 0 | 0 | 110 | D205 G213 A214 L215 | D205-T211 HydrophobicContact CB-CG2 4.1Å; T211-G213 VanDerWaalsContact C-N 3.28Å; T211-G213 PolarHBondContact O-N 3.37Å; T211-A214 PolarHBondContact O-N 2.87Å; T211-A214 WeakPolarHBondContact OG1-CB 3.34Å; T211-A214 PolarHBondContact OG1-N 2.92Å; T211-L215 WeakPolarHBondContact O-CB 3.41Å; T211-L215 PolarHBondContact O-N 3.13Å; T211-L215 VanDerWaalsContact O-N 3.15Å | ||
| 212 | A | 98.6 | Very high | 98.3 | Very high | 16 Ų | 16 | 50 Ų | 50 | 13% | 0.132 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.5 | -36.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L215 E216 E249 I250 L253 | A212-L215 PolarHBondContact O-N 3.02Å; A212-E216 VanDerWaalsContact O-CB 3.3Å; A212-E216 WeakPolarHBondContact O-CB 3.49Å; A212-E216 PolarHBondContact O-N 3.23Å; A212-E249 HydrophobicContact CB-CB 3.58Å; A212-I250 HydrophobicContact CB-CG1 4.27Å; A212-L253 HydrophobicContact CB-CD2 4.35Å |
| 213 | G | 98.4 | Very high | 98.2 | Very high | 51 Ų | 51 | 53.6 Ų | 53.6 | 53% | 0.526 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.1 | -45 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | T211 E216 E217 | T211-G213 VanDerWaalsContact C-N 3.28Å; T211-G213 PolarHBondContact O-N 3.37Å; G213-E216 PolarHBondContact O-N 2.66Å; G213-E217 PolarHBondContact O-N 2.91Å |
| 214 | A | 98.6 | Very high | 98.2 | Very high | 26 Ų | 26 | 53.8 Ų | 53.8 | 22% | 0.215 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67 | -38.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | V202 T211 A218 | V202-A214 HydrophobicContact CG1-CB 3.86Å; T211-A214 PolarHBondContact O-N 2.87Å; T211-A214 WeakPolarHBondContact OG1-CB 3.34Å; T211-A214 PolarHBondContact OG1-N 2.92Å; A214-A218 PolarHBondContact O-N 2.86Å |
| 215 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.9 | -44.1 | 175.3 | 175.7 | 60.9 | 0 | 0 | 0 | 111.7 | Y179 V202 M210 T211 A212 E217 A218 I219 V232 I250 L253 | Y179-L215 HydrophobicContact CD1-CD1 4.15Å; Y179-L215 HydrophobicContact CG-CD1 3.91Å; V202-L215 HydrophobicContact CG2-CD1 4.09Å; M210-L215 HydrophobicContact SD-CD1 4.49Å; T211-L215 WeakPolarHBondContact O-CB 3.41Å; T211-L215 PolarHBondContact O-N 3.13Å; T211-L215 VanDerWaalsContact O-N 3.15Å; A212-L215 PolarHBondContact O-N 3.02Å; L215-E217 PolarHBondContact O-N 3.06Å; L215-A218 PolarHBondContact O-N 2.75Å; L215-I219 HydrophobicContact CD1-CD1 3.87Å; L215-I219 HydrophobicContact CD1-CG1 4.12Å; L215-I219 HydrophobicContact CD2-CD1 4.47Å; L215-I219 HydrophobicContact CG-CD1 3.76Å; L215-I219 HydrophobicContact CG-CG1 4.42Å; L215-I219 WeakPolarHBondContact O-CB 3.03Å; L215-I219 VanDerWaalsContact O-CG1 3.31Å; L215-I219 WeakPolarHBondContact O-CG1 3.32Å; L215-I219 PolarHBondContact O-N 3.28Å; L215-V232 HydrophobicContact CD1-CG2 4.11Å; L215-V232 HydrophobicContact CD2-CG1 4Å; L215-V232 HydrophobicContact CD2-CG2 4.12Å; L215-I250 HydrophobicContact CD2-CB 4.44Å; L215-I250 HydrophobicContact CD2-CG1 4.2Å; L215-I250 HydrophobicContact CD2-CG2 3.61Å; L215-L253 HydrophobicContact CB-CD2 4.28Å; L215-L253 HydrophobicContact CD2-CD2 3.97Å; L215-L253 HydrophobicContact CG-CD2 4.01Å |
| 216 | E | 98.7 | Very high | 98.1 | Very high | 50 Ų | 50 | 56.4 Ų | 56.4 | 23% | 0.234 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 178.3 | -176.3 | 59.5 | -166.5 | 0 | 0 | 111.4 | A212 G213 A218 I219 Q220 L253 H257 | A212-E216 VanDerWaalsContact O-CB 3.3Å; A212-E216 WeakPolarHBondContact O-CB 3.49Å; A212-E216 PolarHBondContact O-N 3.23Å; G213-E216 PolarHBondContact O-N 2.66Å; E216-A218 VanDerWaalsContact C-N 3.3Å; E216-A218 PolarHBondContact O-N 2.67Å; E216-I219 PolarHBondContact O-N 3.02Å; E216-Q220 HydrophobicContact CG-CG 4.44Å; E216-Q220 VanDerWaalsContact O-CG 3.31Å; E216-Q220 WeakPolarHBondContact O-CG 3.35Å; E216-Q220 PolarHBondContact O-N 3.4Å; E216-Q220 PolarHBondContact OE1-NE2 3.46Å; E216-L253 HydrophobicContact CB-CD1 4.4Å; E216-L253 HydrophobicContact CB-CD2 3.98Å; E216-L253 HydrophobicContact CG-CD1 4.41Å; E216-L253 WeakPolarHBondContact OE2-CD1 3.23Å; E216-H257 IonicContact OE1-CE1 3.67Å; E216-H257 IonicContact OE1-NE2 3.66Å; E216-H257 PolarHBondContact OE1-NE2 2.96Å; E216-H257 IonicContact OE2-CD2 2.71Å; E216-H257 IonicContact OE2-NE2 3.04Å; E216-H257 PolarHBondContact OE2-NE2 2.71Å |
| 217 | E | 98.6 | Very high | 98.2 | Very high | 110 Ų | 110 | 50.2 Ų | 50.2 | 51% | 0.514 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.4 | -42.9 | 175.6 | -171.9 | -173.3 | 157.6 | 0 | 0 | 111.8 | G213 L215 K221 | G213-E217 PolarHBondContact O-N 2.91Å; L215-E217 PolarHBondContact O-N 3.06Å; E217-K221 HydrophobicContact CG-CD 4.27Å; E217-K221 WeakPolarHBondContact O-CB 3.26Å; E217-K221 WeakPolarHBondContact O-CG 3.2Å; E217-K221 PolarHBondContact O-N 3.34Å; E217-K221 VanDerWaalsContact O-N 3.12Å; E217-K221 WeakPolarHBondContact OE1-CE 3.45Å; E217-K221 IonicContact OE1-NZ 3.64Å; E217-K221 PolarHBondContact OE1-NZ 3.12Å |
| 218 | A | 98.7 | Very high | 98.3 | Very high | 7 Ų | 7 | 48 Ų | 48 | 6% | 0.058 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.5 | -47 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y179 V202 A214 L215 E216 Q220 K221 D222 | Y179-A218 HydrophobicContact CD1-CB 4.22Å; Y179-A218 HydrophobicContact CE1-CB 4.05Å; V202-A218 HydrophobicContact CG2-CB 4.22Å; A214-A218 PolarHBondContact O-N 2.86Å; L215-A218 PolarHBondContact O-N 2.75Å; E216-A218 VanDerWaalsContact C-N 3.3Å; E216-A218 PolarHBondContact O-N 2.67Å; A218-Q220 VanDerWaalsContact C-N 3.34Å; A218-Q220 PolarHBondContact O-N 2.75Å; A218-K221 PolarHBondContact O-N 3.01Å; A218-D222 WeakPolarHBondContact O-CB 3.34Å; A218-D222 PolarHBondContact O-N 3.06Å |
| 219 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.6 | -45.8 | 178.1 | -74.6 | 168.9 | 0 | 0 | 0 | 111.1 | Y179 L215 E216 K223 P229 L253 I259 | Y179-I219 HydrophobicContact CE1-CG1 4.28Å; Y179-I219 HydrophobicContact CE2-CG1 4.15Å; L215-I219 HydrophobicContact CD1-CD1 3.87Å; L215-I219 HydrophobicContact CD1-CG1 4.12Å; L215-I219 HydrophobicContact CD2-CD1 4.47Å; L215-I219 HydrophobicContact CG-CD1 3.76Å; L215-I219 HydrophobicContact CG-CG1 4.42Å; L215-I219 WeakPolarHBondContact O-CB 3.03Å; L215-I219 VanDerWaalsContact O-CG1 3.31Å; L215-I219 WeakPolarHBondContact O-CG1 3.32Å; L215-I219 PolarHBondContact O-N 3.28Å; E216-I219 PolarHBondContact O-N 3.02Å; I219-K223 HydrophobicContact CG2-CD 4.04Å; I219-K223 WeakPolarHBondContact O-CB 3.28Å; I219-K223 VanDerWaalsContact O-CG 3.29Å; I219-K223 WeakPolarHBondContact O-CG 2.88Å; I219-K223 PolarHBondContact O-N 2.91Å; I219-P229 HydrophobicContact CG2-CG 4.1Å; I219-L253 HydrophobicContact CD1-CD2 4.47Å; I219-I259 HydrophobicContact CD1-CD1 3.64Å; I219-I259 HydrophobicContact CG1-CD1 4.21Å |
| 220 | Q | 98.5 | Very high | 98.4 | Very high | 73 Ų | 73 | 44.4 Ų | 44.4 | 34% | 0.341 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.4 | -46.5 | -178.3 | -66.3 | -60.5 | -19 | 0 | 0 | 111.7 | E216 A218 D222 K223 E224 | E216-Q220 HydrophobicContact CG-CG 4.44Å; E216-Q220 VanDerWaalsContact O-CG 3.31Å; E216-Q220 WeakPolarHBondContact O-CG 3.35Å; E216-Q220 PolarHBondContact O-N 3.4Å; E216-Q220 PolarHBondContact OE1-NE2 3.46Å; A218-Q220 VanDerWaalsContact C-N 3.34Å; A218-Q220 PolarHBondContact O-N 2.75Å; Q220-D222 VanDerWaalsContact C-N 3.31Å; Q220-D222 PolarHBondContact O-N 3.19Å; Q220-K223 PolarHBondContact O-N 3.09Å; Q220-E224 WeakPolarHBondContact O-CG 3.48Å; Q220-E224 PolarHBondContact O-N 3.16Å |
| 221 | K | 98.5 | Very high | 98.4 | Very high | 110 Ų | 110 | 44.4 Ų | 44.4 | 48% | 0.478 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.1 | -42.6 | 176.2 | -76.4 | 173.5 | 173.5 | 174.3 | 0 | 112.6 | E217 A218 E224 A225 | E217-K221 HydrophobicContact CG-CD 4.27Å; E217-K221 WeakPolarHBondContact O-CB 3.26Å; E217-K221 WeakPolarHBondContact O-CG 3.2Å; E217-K221 PolarHBondContact O-N 3.34Å; E217-K221 VanDerWaalsContact O-N 3.12Å; E217-K221 WeakPolarHBondContact OE1-CE 3.45Å; E217-K221 IonicContact OE1-NZ 3.64Å; E217-K221 PolarHBondContact OE1-NZ 3.12Å; A218-K221 PolarHBondContact O-N 3.01Å; K221-E224 PolarHBondContact O-N 3.31Å; K221-A225 PolarHBondContact O-N 3.14Å; K221-A225 VanDerWaalsContact O-N 3.08Å |
| 222 | D | 98.6 | Very high | 98.4 | Very high | 21 Ų | 21 | 42.8 Ų | 42.8 | 11% | 0.112 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -71.6 | -36.8 | -179.5 | -77.4 | -21.2 | 0 | 0 | 0 | 111.9 | I177 Y179 H200 A218 Q220 A225 G226 L227 | I177-D222 WeakPolarHBondContact CD1-OD2 3.32Å; I177-D222 HydrophobicContact CG2-CB 4.48Å; Y179-D222 VanDerWaalsContact CE1-OD2 3.25Å; Y179-D222 WeakPolarHBondContact CE1-OD2 3.42Å; Y179-D222 VanDerWaalsContact OH-CB 3.27Å; Y179-D222 WeakPolarHBondContact OH-CB 3.19Å; Y179-D222 PolarHBondContact OH-OD2 3.18Å; Y179-D222 VanDerWaalsContact OH-OD2 3.11Å; H200-D222 IonicContact CE1-OD2 2.9Å; H200-D222 IonicContact CG-OD2 3.27Å; H200-D222 IonicContact ND1-OD1 2.77Å; H200-D222 IonicContact ND1-OD2 3.59Å; H200-D222 PolarHBondContact ND1-OD2 2.93Å; A218-D222 WeakPolarHBondContact O-CB 3.34Å; A218-D222 PolarHBondContact O-N 3.06Å; Q220-D222 VanDerWaalsContact C-N 3.31Å; Q220-D222 PolarHBondContact O-N 3.19Å; D222-A225 CarbonylContact O-C 3.46Å; D222-A225 PolarHBondContact O-N 3.49Å; D222-G226 PolarHBondContact O-N 3.19Å; D222-L227 HydrophobicContact CB-CB 4.1Å; D222-L227 HydrophobicContact CB-CD1 4.02Å; D222-L227 WeakPolarHBondContact O-CA 3.49Å; D222-L227 WeakPolarHBondContact O-CB 3.38Å; D222-L227 PolarHBondContact O-N 3.07Å |
| 223 | K | 97.9 | Very high | 98.4 | Very high | 76 Ų | 76 | 42 Ų | 42 | 33% | 0.33 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.8 | -44 | 170.8 | -78.4 | 175.1 | 177.1 | 172.3 | 0 | 112 | I219 Q220 A225 G226 P229 H257 | I219-K223 HydrophobicContact CG2-CD 4.04Å; I219-K223 WeakPolarHBondContact O-CB 3.28Å; I219-K223 VanDerWaalsContact O-CG 3.29Å; I219-K223 WeakPolarHBondContact O-CG 2.88Å; I219-K223 PolarHBondContact O-N 2.91Å; Q220-K223 PolarHBondContact O-N 3.09Å; K223-A225 PolarHBondContact O-N 2.96Å; K223-G226 PolarHBondContact O-N 3.27Å; K223-P229 HydrophobicContact CD-CG 4.39Å; K223-P229 HydrophobicContact CG-CG 3.82Å; K223-H257 PolarHBondContact NZ-CE1 3.13Å; K223-H257 VanDerWaalsContact NZ-CE1 3.27Å; K223-H257 PolarHBondContact NZ-ND1 3.21Å |
| 224 | E | 97.9 | Very high | 98.5 | Very high | 164 Ų | 164 | 39.6 Ų | 39.6 | 77% | 0.766 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -60 | -31.7 | 174.8 | -72.6 | 173 | -178.4 | 0 | 0 | 112 | Q220 K221 G226 | Q220-E224 WeakPolarHBondContact O-CG 3.48Å; Q220-E224 PolarHBondContact O-N 3.16Å; K221-E224 PolarHBondContact O-N 3.31Å; E224-G226 PolarHBondContact O-N 2.66Å |
| 225 | A | 97.8 | Very high | 98.5 | Very high | 73 Ų | 73 | 38.5 Ų | 38.5 | 60% | 0.603 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | 5.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | K221 D222 K223 L227 | K221-A225 PolarHBondContact O-N 3.14Å; K221-A225 VanDerWaalsContact O-N 3.08Å; D222-A225 CarbonylContact O-C 3.46Å; D222-A225 PolarHBondContact O-N 3.49Å; K223-A225 PolarHBondContact O-N 2.96Å; A225-L227 VanDerWaalsContact C-N 3.34Å; A225-L227 HydrophobicContact CB-CG 4.47Å |
| 226 | G | 96.7 | Very high | 98.5 | Very high | 42 Ų | 42 | 38.5 Ų | 38.5 | 43% | 0.433 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 16.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | N175 D222 K223 E224 | N175-G226 PolarHBondContact ND2-O 3.08Å; N175-G226 VanDerWaalsContact ND2-O 3.15Å; D222-G226 PolarHBondContact O-N 3.19Å; K223-G226 PolarHBondContact O-N 3.27Å; E224-G226 PolarHBondContact O-N 2.66Å |
| 227 | L | 98.3 | Very high | 98.4 | Very high | 27 Ų | 27 | 36.4 Ų | 36.4 | 14% | 0.141 | 20% | 0.197 | C | C | . | . | trans | -84.9 | 160 | 173.7 | -52.8 | -179.7 | 0 | 0 | 0 | 111.3 | N175 I177 K198 D222 A225 P229 | N175-L227 HydrophobicContact CB-CD2 4.15Å; N175-L227 WeakPolarHBondContact O-CA 3.46Å; I177-L227 HydrophobicContact CB-CB 4.44Å; I177-L227 HydrophobicContact CD1-CD1 3.57Å; I177-L227 HydrophobicContact CG2-CB 3.84Å; K198-L227 HydrophobicContact CD-CD1 4.24Å; K198-L227 HydrophobicContact CD-CD2 3.63Å; D222-L227 HydrophobicContact CB-CB 4.1Å; D222-L227 HydrophobicContact CB-CD1 4.02Å; D222-L227 WeakPolarHBondContact O-CA 3.49Å; D222-L227 WeakPolarHBondContact O-CB 3.38Å; D222-L227 PolarHBondContact O-N 3.07Å; A225-L227 VanDerWaalsContact C-N 3.34Å; A225-L227 HydrophobicContact CB-CG 4.47Å; L227-P229 WeakPolarHBondContact O-CD 3.17Å | ||
| 228 | I | 98.3 | Very high | 98.4 | Very high | 26 Ų | 26 | 31.2 Ų | 31.2 | 13% | 0.133 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 95 | -171.2 | -53.7 | 172.5 | 0 | 0 | 0 | 108.2 | L167 Q171 N175 L176 I177 F230 | L167-I228 HydrophobicContact CD2-CD1 3.65Å; L167-I228 HydrophobicContact CD2-CG2 4.27Å; Q171-I228 HydrophobicContact CB-CD1 3.65Å; Q171-I228 HydrophobicContact CG-CD1 3.71Å; N175-I228 HydrophobicContact CB-CD1 4.25Å; N175-I228 HydrophobicContact CB-CG1 4.24Å; N175-I228 PolarHBondContact O-N 3.34Å; L176-I228 WeakPolarHBondContact CA-O 3.41Å; L176-I228 HydrophobicContact CD2-CB 4.09Å; L176-I228 HydrophobicContact CD2-CG2 3.92Å; I177-I228 PolarHBondContact N-O 2.96Å; I228-F230 PolarHBondContact O-N 3.47Å |
| 229 | P | 98.6 | Very high | 98.3 | Very high | 17 Ų | 17 | 34.1 Ų | 34.1 | 11% | 0.11 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 126.6 | 174.6 | -26.8 | 37.5 | 0 | 0 | 0 | 110.8 | I177 Y179 I219 K223 L227 I259 | I177-P229 HydrophobicContact CG2-CG 4.43Å; Y179-P229 HydrophobicContact CE2-CB 3.7Å; Y179-P229 HydrophobicContact CE2-CG 4.2Å; Y179-P229 WeakPolarHBondContact OH-CG 3.28Å; I219-P229 HydrophobicContact CG2-CG 4.1Å; K223-P229 HydrophobicContact CD-CG 4.39Å; K223-P229 HydrophobicContact CG-CG 3.82Å; L227-P229 WeakPolarHBondContact O-CD 3.17Å; P229-I259 HydrophobicContact CB-CD1 3.51Å; P229-I259 HydrophobicContact CB-CG1 3.95Å |
| 230 | F | 98.7 | Very high | 98.2 | Very high | 9 Ų | 9 | 37.4 Ų | 37.4 | 4% | 0.039 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | -17.5 | -178.5 | 83.5 | -79.8 | 0 | 0 | 0 | 114.9 | M156 A159 R160 A163 L176 I177 A178 V197 I228 W260 | M156-F230 HydrophobicContact CG-CE2 4.16Å; M156-F230 HydrophobicContact CG-CZ 4.04Å; A159-F230 HydrophobicContact CB-CD2 4Å; A159-F230 HydrophobicContact CB-CE2 4.07Å; R160-F230 HydrophobicContact CB-CE2 3.89Å; A163-F230 HydrophobicContact CB-CB 3.77Å; A163-F230 HydrophobicContact CB-CD2 4.22Å; A163-F230 HydrophobicContact CB-CG 4.25Å; L176-F230 HydrophobicContact CB-CD1 3.73Å; L176-F230 HydrophobicContact CB-CE1 3.89Å; L176-F230 HydrophobicContact CB-CG 4.48Å; L176-F230 HydrophobicContact CD2-CB 4.01Å; L176-F230 HydrophobicContact CD2-CD1 4.11Å; L176-F230 HydrophobicContact CD2-CG 4.11Å; L176-F230 HydrophobicContact CG-CD1 4.4Å; I177-F230 WeakPolarHBondContact O-CD1 3.35Å; I177-F230 PolarHBondContact O-N 3.13Å; A178-F230 HydrophobicContact CB-CE1 3.95Å; A178-F230 HydrophobicContact CB-CZ 4.15Å; V197-F230 HydrophobicContact CB-CE1 4Å; V197-F230 HydrophobicContact CB-CZ 4.12Å; V197-F230 HydrophobicContact CG1-CE1 4Å; V197-F230 HydrophobicContact CG1-CZ 3.87Å; V197-F230 HydrophobicContact CG2-CE1 4.17Å; V197-F230 HydrophobicContact CG2-CZ 3.95Å; I228-F230 PolarHBondContact O-N 3.47Å; F230-W260 WeakPolarHBondContact O-CB 3.34Å; F230-W260 PolarHBondContact O-N 3.15Å |
| 231 | F | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 134.9 | -176.6 | -176.4 | -90.8 | 0 | 0 | 0 | 112.4 | S155 M156 A159 A178 Y179 C233 W260 H262 | S155-F231 WeakPolarHBondContact OG-CE2 3.15Å; M156-F231 HydrophobicContact CB-CD2 4.26Å; M156-F231 HydrophobicContact CB-CE1 4.48Å; M156-F231 HydrophobicContact CB-CE2 3.97Å; M156-F231 HydrophobicContact CB-CZ 4.09Å; M156-F231 HydrophobicContact CE-CD1 3.76Å; M156-F231 HydrophobicContact CE-CE1 3.63Å; M156-F231 HydrophobicContact CE-CG 4.48Å; M156-F231 HydrophobicContact CE-CZ 4.3Å; M156-F231 HydrophobicContact CG-CD1 4.49Å; M156-F231 HydrophobicContact CG-CD2 4.36Å; M156-F231 HydrophobicContact CG-CG 4.33Å; A159-F231 HydrophobicContact CB-CD2 3.68Å; A159-F231 HydrophobicContact CB-CE2 4.45Å; A178-F231 CarbonylContact C-O 3.52Å; A178-F231 WeakPolarHBondContact CA-O 3.26Å; A178-F231 HydrophobicContact CB-CB 4.02Å; A178-F231 HydrophobicContact CB-CD1 4Å; A178-F231 HydrophobicContact CB-CG 4.45Å; Y179-F231 PolarHBondContact N-O 2.9Å; F231-C233 HydrophobicContact CE1-CB 3.82Å; F231-C233 HydrophobicContact CZ-CB 4.44Å; F231-W260 CarbonylContact C-O 3.57Å; F231-W260 WeakPolarHBondContact CA-O 3.01Å; F231-W260 HydrophobicContact CD2-CB 4.34Å; F231-W260 AromaticContact CD2-CD1 3.47Å; F231-W260 VanDerWaalsContact CD2-CD1 3.47Å; F231-W260 HydrophobicContact CD2-CG 4.15Å; F231-W260 AromaticContact CE2-CD1 3.54Å; F231-W260 AromaticContact CE2-NE1 3.86Å; F231-H262 HydrophobicContact CE1-CB 4.33Å; F231-H262 HydrophobicContact CE2-CB 3.78Å; F231-H262 HydrophobicContact CZ-CB 3.45Å; F231-H262 VanDerWaalsContact CZ-CB 3.45Å |
| 232 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 133.6 | 167 | 179.7 | 0 | 0 | 0 | 0 | 109.7 | Y179 M210 L215 V234 I250 I259 W260 L261 H262 | Y179-V232 HydrophobicContact CD2-CG2 4.29Å; Y179-V232 CarbonylContact O-C 3.5Å; Y179-V232 WeakPolarHBondContact O-CA 3.26Å; M210-V232 HydrophobicContact CE-CG1 3.78Å; L215-V232 HydrophobicContact CD1-CG2 4.11Å; L215-V232 HydrophobicContact CD2-CG1 4Å; L215-V232 HydrophobicContact CD2-CG2 4.12Å; V232-V234 HydrophobicContact CG1-CG2 4.24Å; V232-I250 HydrophobicContact CG1-CG2 4.21Å; V232-I259 HydrophobicContact CB-CG2 4.4Å; V232-I259 HydrophobicContact CG2-CG2 3.64Å; V232-W260 PolarHBondContact N-O 3.49Å; V232-L261 HydrophobicContact CB-CD1 4.29Å; V232-L261 HydrophobicContact CG1-CD1 4.26Å; V232-H262 PolarHBondContact O-N 3.16Å |
| 233 | C | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 113.7 | 166.4 | -176.7 | 0 | 0 | 0 | 0 | 110.5 | Y179 A180 V188 F231 H262 | Y179-C233 PolarHBondContact O-N 3.04Å; A180-C233 HydrophobicContact CB-CB 3.99Å; V188-C233 HydrophobicContact CG1-CB 4.01Å; V188-C233 HydrophobicContact CG2-CB 4.08Å; F231-C233 HydrophobicContact CE1-CB 3.82Å; F231-C233 HydrophobicContact CZ-CB 4.44Å; C233-H262 CarbonylContact C-O 3.55Å; C233-H262 WeakPolarHBondContact CA-O 3.46Å |
| 234 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 134.2 | 170.3 | 167.7 | 0 | 0 | 0 | 0 | 108.8 | M210 V232 L236 D245 L247 I250 L261 H262 V263 D264 | M210-V234 HydrophobicContact CE-CG2 3.9Å; V232-V234 HydrophobicContact CG1-CG2 4.24Å; V234-L236 HydrophobicContact CG1-CD2 4.05Å; V234-D245 HydrophobicContact CG1-CB 3.68Å; V234-L247 HydrophobicContact CB-CD1 4.46Å; V234-L247 HydrophobicContact CG1-CB 4Å; V234-L247 HydrophobicContact CG1-CD1 4.11Å; V234-L247 HydrophobicContact CG1-CG 4.49Å; V234-L247 HydrophobicContact CG2-CD1 4.38Å; V234-I250 HydrophobicContact CG2-CB 4.18Å; V234-I250 HydrophobicContact CG2-CD1 4.07Å; V234-I250 HydrophobicContact CG2-CG2 3.53Å; V234-L261 HydrophobicContact CB-CD1 4.23Å; V234-L261 HydrophobicContact CG2-CD1 3.61Å; V234-H262 PolarHBondContact N-O 3.35Å; V234-V263 CarbonylContact O-C 3.11Å; V234-V263 WeakPolarHBondContact O-CA 3.47Å; V234-D264 PolarHBondContact O-N 3.28Å |
| 235 | T | 98.8 | Very high | 98 | Very high | 3 Ų | 3 | 18.1 Ų | 18.1 | 2% | 0.018 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 121 | 179.7 | -47.7 | 0 | 0 | 0 | 0 | 111.2 | T238 D245 D264 | T235-T238 HydrophobicContact CG2-CG2 3.95Å; T235-D245 PolarHBondContact N-OD2 3Å; T235-D245 PolarHBondContact O-N 3.34Å; T235-D245 VanDerWaalsContact O-N 3.07Å; T235-D264 CarbonylContact C-O 3.55Å; T235-D264 WeakPolarHBondContact CA-O 3.48Å |
| 236 | L | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | B | Isolated β-bridge | trans | -101.2 | 84.6 | 175.5 | -55.7 | -178.6 | 0 | 0 | 0 | 109.3 | V234 V244 L247 V263 D264 A265 G268 I280 M281 | V234-L236 HydrophobicContact CG1-CD2 4.05Å; L236-V244 HydrophobicContact CD2-CG1 3.68Å; L236-L247 HydrophobicContact CD1-CD2 4.15Å; L236-L247 HydrophobicContact CD2-CB 4.27Å; L236-L247 HydrophobicContact CD2-CD2 4.33Å; L236-V263 HydrophobicContact CD1-CG1 3.38Å; L236-V263 HydrophobicContact CG-CG1 3.74Å; L236-D264 PolarHBondContact N-O 2.91Å; L236-A265 HydrophobicContact CB-CB 4.03Å; L236-A265 HydrophobicContact CD1-CB 4.15Å; L236-G268 VanDerWaalsContact O-CA 3.23Å; L236-G268 WeakPolarHBondContact O-CA 3.3Å; L236-G268 PolarHBondContact O-N 2.89Å; L236-I280 HydrophobicContact CB-CD1 3.82Å; L236-I280 HydrophobicContact CB-CG1 4.08Å; L236-I280 VanDerWaalsContact CD1-O 3.26Å; L236-I280 WeakPolarHBondContact CD1-O 3.39Å; L236-M281 HydrophobicContact CD1-SD 4Å |
| 237 | G | 98 | Very high | 98.2 | Very high | 6 Ų | 6 | 13.4 Ų | 13.4 | 6% | 0.062 | 9% | 0.089 | C | C | . | . | S | Bend | trans | 101.1 | 73.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112 | A243 | G237-A243 CarbonylContact C-O 3.6Å; G237-A243 WeakPolarHBondContact CA-O 3.48Å; G237-A243 PolarHBondContact N-O 3.3Å |
| 238 | T | 98.2 | Very high | 98.2 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 10% | 0.1 | C | C | . | . | trans | -58.4 | 155.1 | 177.6 | 63.2 | 0 | 0 | 0 | 0 | 112.3 | Q183 T235 A240 S241 C242 A243 | Q183-T238 HydrophobicContact CB-CG2 3.85Å; T235-T238 HydrophobicContact CG2-CG2 3.95Å; T238-A240 PolarHBondContact O-N 3.41Å; T238-S241 PolarHBondContact OG1-OG 3.49Å; T238-C242 WeakPolarHBondContact O-CA 3.3Å; T238-C242 PolarHBondContact O-N 2.81Å; T238-A243 HydrophobicContact CG2-CB 4.16Å; T238-A243 PolarHBondContact N-O 2.87Å; T238-A243 WeakPolarHBondContact OG1-CB 3.45Å; T238-A243 PolarHBondContact OG1-N 3.06Å | ||
| 239 | T | 96.9 | Very high | 98.2 | Very high | 69 Ų | 69 | 19.1 Ų | 19.1 | 42% | 0.423 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -37.7 | -171.4 | -58.7 | 0 | 0 | 0 | 0 | 113 | H185 | H185-T239 PolarHBondContact CD2-OG1 2.91Š|
| 240 | A | 96.1 | Very high | 98.2 | Very high | 69 Ų | 69 | 18.3 Ų | 18.3 | 57% | 0.57 | 11% | 0.114 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78 | -41.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T238 C401 | T238-A240 PolarHBondContact O-N 3.41Å; A240-C401 PolarHBondContact O-SG 3.28Å |
| 241 | S | 96 | Very high | 98.2 | Very high | 9 Ų | 9 | 17.9 Ų | 17.9 | 6% | 0.063 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.5 | 0.8 | -170.2 | 57.1 | 0 | 0 | 0 | 0 | 115.1 | T238 A243 | T238-S241 PolarHBondContact OG1-OG 3.49Å; S241-A243 PolarHBondContact O-N 3.27Å |
| 242 | C | 97.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | trans | 55.7 | 30.6 | -173 | -162.1 | 0 | 0 | 0 | 0 | 113.2 | T238 Y267 V396 V399 | T238-C242 WeakPolarHBondContact O-CA 3.3Å; T238-C242 PolarHBondContact O-N 2.81Å; C242-Y267 WeakPolarHBondContact SG-CE1 3.24Å; C242-V396 HydrophobicContact CB-CB 4.38Å; C242-V399 HydrophobicContact CB-CB 3.83Å; C242-V399 HydrophobicContact CB-CG1 4.21Å; C242-V399 HydrophobicContact CB-CG2 3.89Å | ||
| 243 | A | 98 | Very high | 98.1 | Very high | 7 Ų | 7 | 22 Ų | 22 | 6% | 0.058 | 14% | 0.137 | C | C | . | . | trans | -65.4 | 156 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111 | L207 C208 R209 G237 T238 S241 | L207-A243 WeakPolarHBondContact O-CB 3.45Å; C208-A243 HydrophobicContact CB-CB 3.85Å; C208-A243 WeakPolarHBondContact O-CB 3.42Å; R209-A243 HydrophobicContact CG-CB 4.24Å; G237-A243 CarbonylContact C-O 3.6Å; G237-A243 WeakPolarHBondContact CA-O 3.48Å; G237-A243 PolarHBondContact N-O 3.3Å; T238-A243 HydrophobicContact CG2-CB 4.16Å; T238-A243 PolarHBondContact N-O 2.87Å; T238-A243 WeakPolarHBondContact OG1-CB 3.45Å; T238-A243 PolarHBondContact OG1-N 3.06Å; S241-A243 PolarHBondContact O-N 3.27Å | ||
| 244 | V | 98.4 | Very high | 98.1 | Very high | 20 Ų | 20 | 22 Ų | 22 | 12% | 0.121 | 14% | 0.137 | C | C | . | . | B | Isolated β-bridge | trans | -123.6 | 112.6 | -177.5 | -178.1 | 0 | 0 | 0 | 0 | 107.8 | R209 L236 W279 I280 V396 | R209-V244 WeakPolarHBondContact CD-O 3.47Å; R209-V244 WeakPolarHBondContact CG-O 3.09Å; L236-V244 HydrophobicContact CD2-CG1 3.68Å; V244-W279 HydrophobicContact CB-CZ3 4.49Å; V244-W279 HydrophobicContact CG1-CZ3 4.26Å; V244-W279 HydrophobicContact CG2-CH2 4.26Å; V244-W279 HydrophobicContact CG2-CZ3 4.36Å; V244-I280 HydrophobicContact CG1-CG1 3.79Å; V244-I280 HydrophobicContact CG2-CD1 4.24Å; V244-I280 HydrophobicContact CG2-CG1 4.09Å; V244-V396 HydrophobicContact CG2-CG1 4.39Å |
| 245 | D | 98.7 | Very high | 98.1 | Very high | 3 Ų | 3 | 26.1 Ų | 26.1 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | trans | -61 | 152.6 | 177.2 | -70.9 | -18.9 | 0 | 0 | 0 | 111.5 | M210 V234 T235 L247 I250 | M210-D245 HydrophobicContact CB-CB 4.25Å; M210-D245 WeakPolarHBondContact CB-OD1 3.32Å; M210-D245 PolarHBondContact N-OD1 2.9Å; V234-D245 HydrophobicContact CG1-CB 3.68Å; T235-D245 PolarHBondContact N-OD2 3Å; T235-D245 PolarHBondContact O-N 3.34Å; T235-D245 VanDerWaalsContact O-N 3.07Å; D245-L247 PolarHBondContact O-N 2.96Å; D245-I250 HydrophobicContact CB-CD1 4.45Å | ||
| 246 | C | 98.2 | Very high | 98 | Very high | 15 Ų | 15 | 30 Ų | 30 | 10% | 0.101 | 19% | 0.187 | C | C | . | . | trans | -77.5 | 64 | -174.1 | -62.6 | 0 | 0 | 0 | 0 | 112.8 | M210 P248 E249 I250 | M210-C246 PolarHBondContact O-N 3.17Å; C246-P248 VanDerWaalsContact C-CD 3.43Å; C246-E249 HydrophobicContact CB-CB 4.43Å; C246-E249 HydrophobicContact CB-CG 4.49Å; C246-E249 PolarHBondContact O-N 3.26Å; C246-I250 HydrophobicContact CB-CD1 4.49Å; C246-I250 WeakPolarHBondContact O-CG1 3.44Å; C246-I250 PolarHBondContact O-N 3.3Å | ||
| 247 | L | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -51.2 | -41.8 | -178.1 | -178.7 | 56.2 | 0 | 0 | 0 | 114.6 | V234 L236 D245 E249 I250 G251 L261 V263 V284 | V234-L247 HydrophobicContact CB-CD1 4.46Å; V234-L247 HydrophobicContact CG1-CB 4Å; V234-L247 HydrophobicContact CG1-CD1 4.11Å; V234-L247 HydrophobicContact CG1-CG 4.49Å; V234-L247 HydrophobicContact CG2-CD1 4.38Å; L236-L247 HydrophobicContact CD1-CD2 4.15Å; L236-L247 HydrophobicContact CD2-CB 4.27Å; L236-L247 HydrophobicContact CD2-CD2 4.33Å; D245-L247 PolarHBondContact O-N 2.96Å; L247-E249 PolarHBondContact O-N 2.88Å; L247-E249 VanDerWaalsContact O-N 3.16Å; L247-I250 PolarHBondContact O-N 2.95Å; L247-G251 PolarHBondContact O-N 3.22Å; L247-L261 HydrophobicContact CD1-CD2 3.86Å; L247-V263 HydrophobicContact CD1-CG2 3.99Å; L247-V263 HydrophobicContact CD2-CG1 4.46Å; L247-V263 HydrophobicContact CD2-CG2 3.98Å; L247-V284 HydrophobicContact CD2-CB 4.19Å |
| 248 | P | 98.5 | Very high | 97.9 | Very high | 59 Ų | 59 | 35.7 Ų | 35.7 | 38% | 0.383 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.2 | -27.4 | 177.8 | -25.6 | 35 | 0 | 0 | 0 | 114.2 | C246 P252 E282 | C246-P248 VanDerWaalsContact C-CD 3.43Å; P248-P252 WeakPolarHBondContact O-CD 3.43Å; P248-P252 WeakPolarHBondContact O-CG 3.4Å; P248-E282 HydrophobicContact CB-CG 4.48Å; P248-E282 WeakPolarHBondContact CD-O 3.42Å; P248-E282 HydrophobicContact CG-CB 3.94Å; P248-E282 HydrophobicContact CG-CG 3.84Å; P248-E282 WeakPolarHBondContact CG-O 3.22Å |
| 249 | E | 98.2 | Very high | 98 | Very high | 113 Ų | 113 | 35.9 Ų | 35.9 | 53% | 0.528 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -92.7 | -38.9 | 178.6 | -58.3 | 173.8 | -166.3 | 0 | 0 | 111.6 | A212 C246 L247 | A212-E249 HydrophobicContact CB-CB 3.58Å; C246-E249 HydrophobicContact CB-CB 4.43Å; C246-E249 HydrophobicContact CB-CG 4.49Å; C246-E249 PolarHBondContact O-N 3.26Å; L247-E249 PolarHBondContact O-N 2.88Å; L247-E249 VanDerWaalsContact O-N 3.16Å |
| 250 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -72.3 | -34.5 | -178 | -68.5 | 162.6 | 0 | 0 | 0 | 111.8 | M210 A212 L215 V232 V234 D245 C246 L247 L253 C254 L261 | M210-I250 HydrophobicContact CB-CD1 4.31Å; M210-I250 HydrophobicContact CE-CD1 3.87Å; M210-I250 HydrophobicContact CG-CD1 4.03Å; M210-I250 WeakPolarHBondContact O-CD1 3.41Å; A212-I250 HydrophobicContact CB-CG1 4.27Å; L215-I250 HydrophobicContact CD2-CB 4.44Å; L215-I250 HydrophobicContact CD2-CG1 4.2Å; L215-I250 HydrophobicContact CD2-CG2 3.61Å; V232-I250 HydrophobicContact CG1-CG2 4.21Å; V234-I250 HydrophobicContact CG2-CB 4.18Å; V234-I250 HydrophobicContact CG2-CD1 4.07Å; V234-I250 HydrophobicContact CG2-CG2 3.53Å; D245-I250 HydrophobicContact CB-CD1 4.45Å; C246-I250 HydrophobicContact CB-CD1 4.49Å; C246-I250 WeakPolarHBondContact O-CG1 3.44Å; C246-I250 PolarHBondContact O-N 3.3Å; L247-I250 PolarHBondContact O-N 2.95Å; I250-L253 WeakPolarHBondContact O-CB 3.18Å; I250-L253 PolarHBondContact O-N 3.44Å; I250-C254 PolarHBondContact O-N 3.11Å; I250-C254 PolarHBondContact O-SG 2.77Å; I250-L261 HydrophobicContact CG2-CD1 4.38Å |
| 251 | G | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -55.8 | -57.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L247 L253 C254 N255 H286 | L247-G251 PolarHBondContact O-N 3.22Å; G251-L253 VanDerWaalsContact C-N 3.26Å; G251-L253 PolarHBondContact O-N 3.48Å; G251-C254 PolarHBondContact O-N 2.78Å; G251-N255 PolarHBondContact O-N 3.04Å; G251-N255 VanDerWaalsContact O-N 3.13Å; G251-H286 VanDerWaalsContact CA-CB 3.48Å |
| 252 | P | 98.6 | Very high | 98.3 | Very high | 59 Ų | 59 | 29.7 Ų | 29.7 | 38% | 0.383 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -57.1 | -36 | 174.3 | -27.3 | 35.5 | 0 | 0 | 0 | 113.9 | P248 N255 S256 | P248-P252 WeakPolarHBondContact O-CD 3.43Å; P248-P252 WeakPolarHBondContact O-CG 3.4Å; P252-N255 PolarHBondContact O-N 3.06Å; P252-S256 PolarHBondContact O-N 3.37Å |
| 253 | L | 98.6 | Very high | 98.4 | Very high | 27 Ų | 27 | 29.7 Ų | 29.7 | 14% | 0.141 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.6 | -44 | 177.3 | -169.7 | 68.3 | 0 | 0 | 0 | 112.3 | A212 L215 E216 I219 I250 G251 N255 S256 H257 | A212-L253 HydrophobicContact CB-CD2 4.35Å; L215-L253 HydrophobicContact CB-CD2 4.28Å; L215-L253 HydrophobicContact CD2-CD2 3.97Å; L215-L253 HydrophobicContact CG-CD2 4.01Å; E216-L253 HydrophobicContact CB-CD1 4.4Å; E216-L253 HydrophobicContact CB-CD2 3.98Å; E216-L253 HydrophobicContact CG-CD1 4.41Å; E216-L253 WeakPolarHBondContact OE2-CD1 3.23Å; I219-L253 HydrophobicContact CD1-CD2 4.47Å; I250-L253 WeakPolarHBondContact O-CB 3.18Å; I250-L253 PolarHBondContact O-N 3.44Å; G251-L253 VanDerWaalsContact C-N 3.26Å; G251-L253 PolarHBondContact O-N 3.48Å; L253-N255 VanDerWaalsContact C-N 3.31Å; L253-N255 PolarHBondContact O-N 3.14Å; L253-S256 PolarHBondContact O-N 3.46Å; L253-S256 PolarHBondContact O-OG 2.63Å; L253-H257 PolarHBondContact O-N 3.16Å |
| 254 | C | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.6 | -44 | 176.1 | -65.4 | 0 | 0 | 0 | 0 | 110.7 | I250 G251 S256 H257 G258 I259 L261 | I250-C254 PolarHBondContact O-N 3.11Å; I250-C254 PolarHBondContact O-SG 2.77Å; G251-C254 PolarHBondContact O-N 2.78Å; C254-S256 PolarHBondContact O-N 3.4Å; C254-H257 CarbonylContact O-C 3.49Å; C254-H257 PolarHBondContact O-N 3.08Å; C254-G258 PolarHBondContact O-N 3.18Å; C254-I259 HydrophobicContact CB-CB 4.43Å; C254-I259 PolarHBondContact O-N 2.76Å; C254-L261 HydrophobicContact CB-CB 4.17Å |
| 255 | N | 98.1 | Very high | 98.4 | Very high | 87 Ų | 87 | 28.8 Ų | 28.8 | 47% | 0.465 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -60 | -43.9 | 176.3 | -78 | -0.9 | 0 | 0 | 0 | 112.7 | G251 P252 L253 H257 G258 H286 | G251-N255 PolarHBondContact O-N 3.04Å; G251-N255 VanDerWaalsContact O-N 3.13Å; P252-N255 PolarHBondContact O-N 3.06Å; L253-N255 VanDerWaalsContact C-N 3.31Å; L253-N255 PolarHBondContact O-N 3.14Å; N255-H257 PolarHBondContact O-N 3.16Å; N255-G258 PolarHBondContact O-N 3.42Å; N255-H286 PolarHBondContact ND2-ND1 2.86Å |
| 256 | S | 97.8 | Very high | 98.4 | Very high | 85 Ų | 85 | 28.9 Ų | 28.9 | 59% | 0.594 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -65.6 | -26.9 | -178.8 | 74.5 | 0 | 0 | 0 | 0 | 112.9 | P252 L253 C254 | P252-S256 PolarHBondContact O-N 3.37Å; L253-S256 PolarHBondContact O-N 3.46Å; L253-S256 PolarHBondContact O-OG 2.63Å; C254-S256 PolarHBondContact O-N 3.4Å |
| 257 | H | 97.1 | Very high | 98.4 | Very high | 55 Ų | 55 | 28.4 Ų | 28.4 | 26% | 0.255 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -96.7 | -2.5 | 176.2 | -72.3 | -43.3 | 0 | 0 | 0 | 114.9 | E216 K223 L253 C254 N255 I259 | E216-H257 IonicContact OE1-CE1 3.67Å; E216-H257 IonicContact OE1-NE2 3.66Å; E216-H257 PolarHBondContact OE1-NE2 2.96Å; E216-H257 IonicContact OE2-CD2 2.71Å; E216-H257 IonicContact OE2-NE2 3.04Å; E216-H257 PolarHBondContact OE2-NE2 2.71Å; K223-H257 PolarHBondContact NZ-CE1 3.13Å; K223-H257 VanDerWaalsContact NZ-CE1 3.27Å; K223-H257 PolarHBondContact NZ-ND1 3.21Å; L253-H257 PolarHBondContact O-N 3.16Å; C254-H257 CarbonylContact O-C 3.49Å; C254-H257 PolarHBondContact O-N 3.08Å; N255-H257 PolarHBondContact O-N 3.16Å; H257-I259 HydrophobicContact CB-CD1 3.55Å; H257-I259 HydrophobicContact CB-CG1 3.73Å; H257-I259 PolarHBondContact O-N 3.45Å |
| 258 | G | 97 | Very high | 98.4 | Very high | 71 Ų | 71 | 28.4 Ų | 28.4 | 73% | 0.732 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 30.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113 | C254 N255 | C254-G258 PolarHBondContact O-N 3.18Å; N255-G258 PolarHBondContact O-N 3.42Å |
| 259 | I | 98.7 | Very high | 98.3 | Very high | 5 Ų | 5 | 25.6 Ų | 25.6 | 3% | 0.026 | 16% | 0.157 | C | C | . | . | trans | -92.3 | 133.6 | -179.7 | -64.1 | 168.7 | 0 | 0 | 0 | 109.3 | I219 P229 V232 C254 H257 L261 | I219-I259 HydrophobicContact CD1-CD1 3.64Å; I219-I259 HydrophobicContact CG1-CD1 4.21Å; P229-I259 HydrophobicContact CB-CD1 3.51Å; P229-I259 HydrophobicContact CB-CG1 3.95Å; V232-I259 HydrophobicContact CB-CG2 4.4Å; V232-I259 HydrophobicContact CG2-CG2 3.64Å; C254-I259 HydrophobicContact CB-CB 4.43Å; C254-I259 PolarHBondContact O-N 2.76Å; H257-I259 HydrophobicContact CB-CD1 3.55Å; H257-I259 HydrophobicContact CB-CG1 3.73Å; H257-I259 PolarHBondContact O-N 3.45Å; I259-L261 PolarHBondContact O-N 2.73Å | ||
| 260 | W | 98.8 | Very high | 98.3 | Very high | 17 Ų | 17 | 20.2 Ų | 20.2 | 6% | 0.064 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 132.2 | 176 | -179.2 | -76.2 | 0 | 0 | 0 | 111.5 | S155 A158 A159 L162 F230 F231 V232 D288 T289 N314 | S155-W260 PolarHBondContact OG-NE1 3.29Å; A158-W260 HydrophobicContact CB-CH2 4.17Å; A158-W260 HydrophobicContact CB-CZ2 4.42Å; A159-W260 HydrophobicContact CB-CB 3.6Å; A159-W260 HydrophobicContact CB-CD2 3.73Å; A159-W260 HydrophobicContact CB-CE3 4.21Å; A159-W260 HydrophobicContact CB-CG 3.48Å; A159-W260 VanDerWaalsContact CB-CG 3.48Å; L162-W260 HydrophobicContact CD1-CE3 3.92Å; L162-W260 HydrophobicContact CD1-CZ3 3.5Å; L162-W260 VanDerWaalsContact CD1-CZ3 3.5Å; F230-W260 WeakPolarHBondContact O-CB 3.34Å; F230-W260 PolarHBondContact O-N 3.15Å; F231-W260 CarbonylContact C-O 3.57Å; F231-W260 WeakPolarHBondContact CA-O 3.01Å; F231-W260 HydrophobicContact CD2-CB 4.34Å; F231-W260 AromaticContact CD2-CD1 3.47Å; F231-W260 VanDerWaalsContact CD2-CD1 3.47Å; F231-W260 HydrophobicContact CD2-CG 4.15Å; F231-W260 AromaticContact CE2-CD1 3.54Å; F231-W260 AromaticContact CE2-NE1 3.86Å; V232-W260 PolarHBondContact N-O 3.49Å; W260-D288 WeakPolarHBondContact CA-OD2 3.47Å; W260-D288 HydrophobicContact CD2-CB 3.55Å; W260-D288 VanDerWaalsContact CE2-CB 3.45Å; W260-D288 HydrophobicContact CE3-CB 3.92Å; W260-D288 HydrophobicContact CG-CB 4.07Å; W260-D288 HydrophobicContact CH2-CB 4.15Å; W260-D288 HydrophobicContact CZ2-CB 3.82Å; W260-D288 HydrophobicContact CZ3-CB 4.19Å; W260-T289 HydrophobicContact CH2-CG2 4.36Å; W260-T289 HydrophobicContact CZ2-CG2 3.49Å; W260-T289 VanDerWaalsContact CZ2-CG2 3.49Å; W260-T289 PolarHBondContact NE1-OG1 2.87Å; W260-N314 HydrophobicContact CH2-CB 3.79Å; W260-N314 HydrophobicContact CZ3-CB 3.91Å |
| 261 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 114.4 | -179.6 | 179.6 | 59 | 0 | 0 | 0 | 112 | V232 V234 L247 I250 C254 I259 H286 D288 T289 | V232-L261 HydrophobicContact CB-CD1 4.29Å; V232-L261 HydrophobicContact CG1-CD1 4.26Å; V234-L261 HydrophobicContact CB-CD1 4.23Å; V234-L261 HydrophobicContact CG2-CD1 3.61Å; L247-L261 HydrophobicContact CD1-CD2 3.86Å; I250-L261 HydrophobicContact CG2-CD1 4.38Å; C254-L261 HydrophobicContact CB-CB 4.17Å; I259-L261 PolarHBondContact O-N 2.73Å; L261-H286 HydrophobicContact CD2-CB 3.97Å; L261-D288 PolarHBondContact N-OD2 2.79Å; L261-D288 PolarHBondContact O-N 3.36Å; L261-T289 PolarHBondContact O-N 2.89Å |
| 262 | H | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 135.4 | 167.4 | -172.7 | 61.7 | 0 | 0 | 0 | 111.1 | S155 F231 V232 C233 V234 T289 T291 F307 | S155-H262 PolarHBondContact OG-ND1 3.34Å; F231-H262 HydrophobicContact CE1-CB 4.33Å; F231-H262 HydrophobicContact CE2-CB 3.78Å; F231-H262 HydrophobicContact CZ-CB 3.45Å; F231-H262 VanDerWaalsContact CZ-CB 3.45Å; V232-H262 PolarHBondContact O-N 3.16Å; C233-H262 CarbonylContact C-O 3.55Å; C233-H262 WeakPolarHBondContact CA-O 3.46Å; V234-H262 PolarHBondContact N-O 3.35Å; H262-T289 WeakPolarHBondContact CA-O 3.33Å; H262-T289 PolarHBondContact ND1-O 2.71Å; H262-T289 PolarHBondContact ND1-OG1 3.43Å; H262-T291 PolarHBondContact CE1-OG1 3.18Å; H262-T291 PolarHBondContact NE2-OG1 3.04Å; H262-T291 VanDerWaalsContact NE2-OG1 3.13Å; H262-F307 AromaticContact CE1-CE2 3.88Å |
| 263 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 108.6 | 172.3 | 176.2 | 0 | 0 | 0 | 0 | 109.5 | V234 L236 L247 A265 A287 T289 I290 T291 | V234-V263 CarbonylContact O-C 3.11Å; V234-V263 WeakPolarHBondContact O-CA 3.47Å; L236-V263 HydrophobicContact CD1-CG1 3.38Å; L236-V263 HydrophobicContact CG-CG1 3.74Å; L247-V263 HydrophobicContact CD1-CG2 3.99Å; L247-V263 HydrophobicContact CD2-CG1 4.46Å; L247-V263 HydrophobicContact CD2-CG2 3.98Å; V263-A265 HydrophobicContact CG1-CB 4.32Å; V263-A265 PolarHBondContact O-N 3.45Å; V263-A287 HydrophobicContact CB-CB 4.45Å; V263-A287 HydrophobicContact CG2-CB 3.65Å; V263-T289 PolarHBondContact N-O 3.32Å; V263-I290 HydrophobicContact CB-CG1 4.25Å; V263-I290 HydrophobicContact CB-CG2 4.34Å; V263-I290 HydrophobicContact CG1-CG2 4.36Å; V263-I290 CarbonylContact O-C 3.34Å; V263-I290 WeakPolarHBondContact O-CA 3.39Å; V263-T291 PolarHBondContact O-N 3Å |
| 264 | D | 98.9 | Very high | 98.2 | Very high | 8 Ų | 8 | 16.1 Ų | 16.1 | 4% | 0.043 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 99.1 | 168.4 | -176.5 | -3.9 | 0 | 0 | 0 | 109.6 | V234 T235 L236 A266 | V234-D264 PolarHBondContact O-N 3.28Å; T235-D264 CarbonylContact C-O 3.55Å; T235-D264 WeakPolarHBondContact CA-O 3.48Å; L236-D264 PolarHBondContact N-O 2.91Å; D264-A266 WeakPolarHBondContact OD1-CB 3.5Å; D264-A266 PolarHBondContact OD1-N 3.45Å |
| 265 | A | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -109.4 | 32.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | L236 V263 Y267 G269 M281 T291 H292 | L236-A265 HydrophobicContact CB-CB 4.03Å; L236-A265 HydrophobicContact CD1-CB 4.15Å; V263-A265 HydrophobicContact CG1-CB 4.32Å; V263-A265 PolarHBondContact O-N 3.45Å; A265-Y267 VanDerWaalsContact C-N 3.33Å; A265-Y267 PolarHBondContact O-N 3.42Å; A265-G269 WeakPolarHBondContact O-CA 3.33Å; A265-G269 PolarHBondContact O-N 2.95Å; A265-M281 HydrophobicContact CB-CE 4.4Å; A265-T291 CarbonylContact C-O 3.57Å; A265-T291 VanDerWaalsContact C-O 3.27Å; A265-T291 VanDerWaalsContact CA-O 3.28Å; A265-T291 WeakPolarHBondContact CA-O 3.4Å; A265-T291 WeakPolarHBondContact CB-O 3.39Å; A265-T291 PolarHBondContact N-O 3.29Å; A265-H292 PolarHBondContact O-CD2 3.07Å | ||
| 266 | A | 98.5 | Very high | 98.1 | Very high | 4 Ų | 4 | 19.2 Ų | 19.2 | 3% | 0.033 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | -49.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A148 D264 N293 K296 | A148-A266 HydrophobicContact CB-CB 3.88Å; D264-A266 WeakPolarHBondContact OD1-CB 3.5Å; D264-A266 PolarHBondContact OD1-N 3.45Å; A266-N293 HydrophobicContact CB-CB 4.47Å; A266-N293 VanDerWaalsContact O-CB 3.31Å; A266-N293 WeakPolarHBondContact O-CB 3.27Å; A266-N293 PolarHBondContact O-N 3.47Å; A266-K296 HydrophobicContact CB-CD 4.4Å |
| 267 | Y | 98 | Very high | 98.1 | Very high | 6 Ų | 6 | 17.9 Ų | 17.9 | 2% | 0.024 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -59.9 | 173.8 | 171.8 | -104.7 | 0 | 0 | 0 | 111.9 | F80 P81 C242 A265 G269 S270 A297 F397 G398 V399 | F80-Y267 HydrophobicContact CB-CD2 4.32Å; F80-Y267 AromaticContact CD1-CD1 3.83Å; F80-Y267 HydrophobicContact CD1-CD1 3.83Å; F80-Y267 AromaticContact CD1-CD2 3.41Å; F80-Y267 HydrophobicContact CD1-CD2 3.41Å; F80-Y267 VanDerWaalsContact CD1-CD2 3.41Å; F80-Y267 HydrophobicContact CD1-CE1 4.06Å; F80-Y267 AromaticContact CD1-CE2 3.66Å; F80-Y267 HydrophobicContact CD1-CE2 3.66Å; F80-Y267 AromaticContact CD1-CG 3.49Å; F80-Y267 HydrophobicContact CD1-CG 3.49Å; F80-Y267 VanDerWaalsContact CD1-CG 3.49Å; F80-Y267 AromaticContact CD1-CZ 3.98Å; F80-Y267 HydrophobicContact CD2-CG 4.21Å; F80-Y267 AromaticContact CE1-CD1 3.17Å; F80-Y267 HydrophobicContact CE1-CD1 3.17Å; F80-Y267 AromaticContact CE1-CD2 3.71Å; F80-Y267 HydrophobicContact CE1-CD2 3.71Å; F80-Y267 AromaticContact CE1-CE1 3.46Å; F80-Y267 HydrophobicContact CE1-CE1 3.46Å; F80-Y267 VanDerWaalsContact CE1-CE1 3.46Å; F80-Y267 AromaticContact CE1-CE2 3.96Å; F80-Y267 HydrophobicContact CE1-CE2 3.96Å; F80-Y267 AromaticContact CE1-CG 3.3Å; F80-Y267 HydrophobicContact CE1-CG 3.3Å; F80-Y267 AromaticContact CE1-CZ 3.84Å; F80-Y267 HydrophobicContact CE2-CD1 4.34Å; F80-Y267 HydrophobicContact CE2-CG 4.04Å; F80-Y267 AromaticContact CG-CD2 3.88Å; F80-Y267 HydrophobicContact CG-CD2 3.88Å; F80-Y267 HydrophobicContact CG-CE2 4.48Å; F80-Y267 AromaticContact CG-CG 3.95Å; F80-Y267 HydrophobicContact CG-CG 3.95Å; F80-Y267 AromaticContact CZ-CD1 3.49Å; F80-Y267 HydrophobicContact CZ-CD1 3.49Å; F80-Y267 VanDerWaalsContact CZ-CD1 3.49Å; F80-Y267 HydrophobicContact CZ-CD2 4.4Å; F80-Y267 HydrophobicContact CZ-CE1 4.18Å; F80-Y267 AromaticContact CZ-CG 3.61Å; F80-Y267 HydrophobicContact CZ-CG 3.61Å; P81-Y267 HydrophobicContact CG-CE2 4.22Å; C242-Y267 WeakPolarHBondContact SG-CE1 3.24Å; A265-Y267 VanDerWaalsContact C-N 3.33Å; A265-Y267 PolarHBondContact O-N 3.42Å; Y267-G269 PolarHBondContact O-N 3.09Å; Y267-S270 VanDerWaalsContact O-CB 3.31Å; Y267-S270 WeakPolarHBondContact O-CB 3.32Å; Y267-S270 PolarHBondContact O-N 3.09Å; Y267-S270 PolarHBondContact O-OG 3.2Å; Y267-S270 VanDerWaalsContact O-OG 3.12Å; Y267-A297 HydrophobicContact CD2-CB 4.34Å; Y267-A297 HydrophobicContact CE2-CB 4.13Å; Y267-F397 HydrophobicContact CE1-CB 4.15Å; Y267-F397 HydrophobicContact CE1-CD2 4.07Å; Y267-G398 WeakPolarHBondContact OH-CA 3.47Å; Y267-G398 PolarHBondContact OH-N 2.9Å; Y267-G398 VanDerWaalsContact OH-N 3.12Å; Y267-V399 HydrophobicContact CE1-CG2 4.2Å |
| 268 | G | 97.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | G | 310 helix | trans | -63.6 | -26.4 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L236 S270 A271 I280 | L236-G268 VanDerWaalsContact O-CA 3.23Å; L236-G268 WeakPolarHBondContact O-CA 3.3Å; L236-G268 PolarHBondContact O-N 2.89Å; G268-S270 PolarHBondContact O-N 3.13Å; G268-S270 VanDerWaalsContact O-N 3.09Å; G268-A271 WeakPolarHBondContact O-CB 3.42Å; G268-A271 PolarHBondContact O-N 3.36Å; G268-I280 WeakPolarHBondContact O-CD1 3.44Å |
| 269 | G | 97.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 10% | 0.102 | C | C | . | . | G | 310 helix | trans | -59.8 | -24 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | A265 Y267 A271 A272 H292 | A265-G269 WeakPolarHBondContact O-CA 3.33Å; A265-G269 PolarHBondContact O-N 2.95Å; Y267-G269 PolarHBondContact O-N 3.09Å; G269-A271 PolarHBondContact O-N 2.79Å; G269-A272 PolarHBondContact O-N 2.92Å; G269-H292 VanDerWaalsContact C-CD2 3.46Å |
| 270 | S | 97.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -65.1 | -25.1 | 174.7 | -53.7 | 0 | 0 | 0 | 0 | 112.6 | Y267 G268 A272 I273 H292 | Y267-S270 VanDerWaalsContact O-CB 3.31Å; Y267-S270 WeakPolarHBondContact O-CB 3.32Å; Y267-S270 PolarHBondContact O-N 3.09Å; Y267-S270 PolarHBondContact O-OG 3.2Å; Y267-S270 VanDerWaalsContact O-OG 3.12Å; G268-S270 PolarHBondContact O-N 3.13Å; G268-S270 VanDerWaalsContact O-N 3.09Å; S270-A272 VanDerWaalsContact C-N 3.29Å; S270-A272 PolarHBondContact O-N 3.5Å; S270-I273 VanDerWaalsContact O-CG1 3.3Å; S270-I273 WeakPolarHBondContact O-CG1 3.28Å; S270-H292 VanDerWaalsContact CA-NE2 3.33Å; S270-H292 WeakPolarHBondContact CA-NE2 3.47Å; S270-H292 PolarHBondContact N-CD2 2.94Å; S270-H292 PolarHBondContact N-NE2 2.98Å; S270-H292 VanDerWaalsContact N-NE2 3.13Å; S270-H292 PolarHBondContact OG-NE2 3.39Å |
| 271 | A | 98 | Very high | 98 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -66.6 | -33.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G268 G269 I273 C274 Y277 F369 F397 | G268-A271 WeakPolarHBondContact O-CB 3.42Å; G268-A271 PolarHBondContact O-N 3.36Å; G269-A271 PolarHBondContact O-N 2.79Å; A271-I273 PolarHBondContact O-N 3.18Å; A271-C274 WeakPolarHBondContact O-CB 3.36Å; A271-C274 PolarHBondContact O-N 3.19Å; A271-Y277 HydrophobicContact CB-CD2 4.15Å; A271-Y277 HydrophobicContact CB-CG 4.19Å; A271-Y277 WeakPolarHBondContact O-CB 3.47Å; A271-F369 HydrophobicContact CB-CD1 4.47Å; A271-F369 HydrophobicContact CB-CE1 3.47Å; A271-F369 VanDerWaalsContact CB-CE1 3.47Å; A271-F369 HydrophobicContact CB-CE2 4.41Å; A271-F369 HydrophobicContact CB-CZ 3.44Å; A271-F369 VanDerWaalsContact CB-CZ 3.44Å; A271-F397 HydrophobicContact CB-CD1 3.53Å; A271-F397 HydrophobicContact CB-CD2 4.23Å; A271-F397 HydrophobicContact CB-CE1 3.26Å; A271-F397 HydrophobicContact CB-CE2 4.01Å; A271-F397 HydrophobicContact CB-CG 4.04Å; A271-F397 HydrophobicContact CB-CZ 3.55Å |
| 272 | A | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -66.6 | -9.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114 | I126 G269 S270 C274 R278 I280 M281 | I126-A272 HydrophobicContact CB-CB 4.06Å; I126-A272 WeakPolarHBondContact O-CB 3.38Å; G269-A272 PolarHBondContact O-N 2.92Å; S270-A272 VanDerWaalsContact C-N 3.29Å; S270-A272 PolarHBondContact O-N 3.5Å; A272-C274 PolarHBondContact O-N 2.99Å; A272-R278 WeakPolarHBondContact O-CG 3.39Å; A272-I280 HydrophobicContact CB-CG2 3.96Å; A272-M281 HydrophobicContact CB-CE 3.79Å; A272-M281 HydrophobicContact CB-CG 3.63Å |
| 273 | I | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -59.4 | -31.9 | 165.9 | 74.8 | 177.4 | 0 | 0 | 0 | 111.3 | I126 S270 A271 L298 L365 R366 F369 | I126-I273 HydrophobicContact CG2-CG2 3.79Å; S270-I273 VanDerWaalsContact O-CG1 3.3Å; S270-I273 WeakPolarHBondContact O-CG1 3.28Å; A271-I273 PolarHBondContact O-N 3.18Å; I273-L298 HydrophobicContact CD1-CD2 3.64Å; I273-L298 HydrophobicContact CG2-CD1 4.12Å; I273-L298 HydrophobicContact CG2-CD2 3.94Å; I273-L365 HydrophobicContact CD1-CB 4.04Å; I273-R366 HydrophobicContact CB-CG 4.44Å; I273-R366 HydrophobicContact CD1-CG 4.21Å; I273-R366 HydrophobicContact CG1-CG 3.97Å; I273-R366 PolarHBondContact O-NE 3.18Å; I273-R366 PolarHBondContact O-NH2 3.22Å; I273-F369 HydrophobicContact CD1-CB 3.99Å |
| 274 | C | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -89.1 | 122.5 | 178.8 | -65.2 | 0 | 0 | 0 | 0 | 109.1 | A271 A272 E276 Y277 R278 | A271-C274 WeakPolarHBondContact O-CB 3.36Å; A271-C274 PolarHBondContact O-N 3.19Å; A272-C274 PolarHBondContact O-N 2.99Å; C274-E276 PolarHBondContact O-N 3.37Å; C274-E276 VanDerWaalsContact O-N 3.13Å; C274-Y277 HydrophobicContact CB-CD2 3.71Å; C274-Y277 HydrophobicContact CB-CE2 4.34Å; C274-Y277 PolarHBondContact O-N 3.04Å; C274-R278 PolarHBondContact O-N 2.74Å |
| 275 | P | 97.6 | Very high | 97.9 | Very high | 68 Ų | 68 | 33.2 Ų | 33.2 | 44% | 0.442 | 15% | 0.15 | S | C | . | . | G | 310 helix | trans | -51.9 | -37.6 | -177.8 | -29.6 | 36.5 | 0 | 0 | 0 | 114.7 | Y277 R278 | P275-Y277 PolarHBondContact O-N 3.27Å; P275-R278 WeakPolarHBondContact O-CB 3.3Å; P275-R278 PolarHBondContact O-N 3.03Å |
| 276 | E | 97.8 | Very high | 97.8 | Very high | 85 Ų | 85 | 35 Ų | 35 | 40% | 0.397 | 16% | 0.159 | S | C | . | . | G | 310 helix | trans | -69.3 | -12.2 | 179.9 | 68 | -86.8 | -157.1 | 0 | 0 | 114.8 | C274 W279 R370 | C274-E276 PolarHBondContact O-N 3.37Å; C274-E276 VanDerWaalsContact O-N 3.13Å; E276-W279 VanDerWaalsContact O-CD1 3.26Å; E276-W279 PolarHBondContact O-NE1 3.07Å; E276-R370 VanDerWaalsContact CD-NH2 3.33Å; E276-R370 IonicContact OE1-CZ 2.68Å; E276-R370 VanDerWaalsContact OE1-CZ 3.31Å; E276-R370 IonicContact OE1-NE 3.43Å; E276-R370 PolarHBondContact OE1-NE 3.02Å; E276-R370 IonicContact OE1-NH2 3.31Å; E276-R370 PolarHBondContact OE1-NH2 3.19Å; E276-R370 VanDerWaalsContact OE1-NH2 3.1Å; E276-R370 IonicContact OE2-CZ 3.84Å; E276-R370 IonicContact OE2-NE 3.1Å; E276-R370 IonicContact OE2-NH2 3.72Å; E276-R370 PolarHBondContact OE2-NH2 3.46Å |
| 277 | Y | 97.8 | Very high | 97.9 | Very high | 57 Ų | 57 | 34.9 Ų | 34.9 | 22% | 0.224 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -112.2 | 5.3 | 176.3 | -58 | -46.8 | 0 | 0 | 0 | 113 | A271 C274 P275 W279 I280 F369 F397 | A271-Y277 HydrophobicContact CB-CD2 4.15Å; A271-Y277 HydrophobicContact CB-CG 4.19Å; A271-Y277 WeakPolarHBondContact O-CB 3.47Å; C274-Y277 HydrophobicContact CB-CD2 3.71Å; C274-Y277 HydrophobicContact CB-CE2 4.34Å; C274-Y277 PolarHBondContact O-N 3.04Å; P275-Y277 PolarHBondContact O-N 3.27Å; Y277-W279 PolarHBondContact O-N 2.88Å; Y277-W279 VanDerWaalsContact O-N 3.15Å; Y277-I280 VanDerWaalsContact O-CG2 3.28Å; Y277-I280 WeakPolarHBondContact O-CG2 3.46Å; Y277-I280 PolarHBondContact O-N 2.96Å; Y277-I280 VanDerWaalsContact O-N 3.14Å; Y277-F369 HydrophobicContact CD2-CD1 4.28Å; Y277-F369 HydrophobicContact CD2-CE1 4Å; Y277-F369 HydrophobicContact CE2-CD1 4.27Å; Y277-F369 HydrophobicContact CE2-CE1 4.12Å; Y277-F397 HydrophobicContact CD1-CD1 4.31Å; Y277-F397 AromaticContact CD1-CE1 3.93Å; Y277-F397 HydrophobicContact CD1-CE1 3.93Å; Y277-F397 HydrophobicContact CD2-CD1 4.42Å; Y277-F397 HydrophobicContact CD2-CE1 4.45Å; Y277-F397 HydrophobicContact CG-CD1 4.26Å; Y277-F397 AromaticContact CG-CE1 3.89Å; Y277-F397 HydrophobicContact CG-CE1 3.89Å |
| 278 | R | 96.8 | Very high | 97.9 | Very high | 105 Ų | 105 | 36.2 Ų | 36.2 | 40% | 0.396 | 17% | 0.165 | S | C | . | . | G | 310 helix | trans | -62.6 | -19.8 | 179.5 | -80 | -175.2 | 172.5 | -174.1 | -7 | 114.2 | A272 C274 P275 I280 M281 | A272-R278 WeakPolarHBondContact O-CG 3.39Å; C274-R278 PolarHBondContact O-N 2.74Å; P275-R278 WeakPolarHBondContact O-CB 3.3Å; P275-R278 PolarHBondContact O-N 3.03Å; R278-I280 PolarHBondContact O-N 3.29Å; R278-M281 PolarHBondContact O-N 3.5Å |
| 279 | W | 97.5 | Very high | 98 | Very high | 129 Ų | 129 | 36.2 Ų | 36.2 | 49% | 0.489 | 17% | 0.165 | S | C | . | . | G | 310 helix | trans | -53.4 | -25.5 | 172.5 | 62.9 | -101.1 | 0 | 0 | 0 | 112.7 | V244 E276 Y277 M281 E282 F397 | V244-W279 HydrophobicContact CB-CZ3 4.49Å; V244-W279 HydrophobicContact CG1-CZ3 4.26Å; V244-W279 HydrophobicContact CG2-CH2 4.26Å; V244-W279 HydrophobicContact CG2-CZ3 4.36Å; E276-W279 VanDerWaalsContact O-CD1 3.26Å; E276-W279 PolarHBondContact O-NE1 3.07Å; Y277-W279 PolarHBondContact O-N 2.88Å; Y277-W279 VanDerWaalsContact O-N 3.15Å; W279-M281 PolarHBondContact O-N 3.3Å; W279-E282 WeakPolarHBondContact O-CB 3.37Å; W279-E282 PolarHBondContact O-N 3.1Å; W279-E282 VanDerWaalsContact O-N 3.13Å; W279-F397 HydrophobicContact CH2-CZ 4.39Å; W279-F397 HydrophobicContact CZ2-CE1 4.31Å; W279-F397 HydrophobicContact CZ2-CZ 4.23Å |
| 280 | I | 97.3 | Very high | 98 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -62.5 | -25.5 | 176.9 | -155.3 | -166.7 | 0 | 0 | 0 | 112.5 | L236 V244 G268 A272 Y277 R278 F397 | L236-I280 HydrophobicContact CB-CD1 3.82Å; L236-I280 HydrophobicContact CB-CG1 4.08Å; L236-I280 VanDerWaalsContact CD1-O 3.26Å; L236-I280 WeakPolarHBondContact CD1-O 3.39Å; V244-I280 HydrophobicContact CG1-CG1 3.79Å; V244-I280 HydrophobicContact CG2-CD1 4.24Å; V244-I280 HydrophobicContact CG2-CG1 4.09Å; G268-I280 WeakPolarHBondContact O-CD1 3.44Å; A272-I280 HydrophobicContact CB-CG2 3.96Å; Y277-I280 VanDerWaalsContact O-CG2 3.28Å; Y277-I280 WeakPolarHBondContact O-CG2 3.46Å; Y277-I280 PolarHBondContact O-N 2.96Å; Y277-I280 VanDerWaalsContact O-N 3.14Å; R278-I280 PolarHBondContact O-N 3.29Å; I280-F397 HydrophobicContact CB-CZ 4.4Å; I280-F397 HydrophobicContact CD1-CE2 3.61Å; I280-F397 HydrophobicContact CD1-CZ 3.64Å; I280-F397 HydrophobicContact CG1-CZ 4.22Å |
| 281 | M | 97.5 | Very high | 98.1 | Very high | 10 Ų | 10 | 36.2 Ų | 36.2 | 5% | 0.049 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -95.5 | 7.2 | -179.9 | -62.5 | -61.7 | -169.6 | 0 | 0 | 112.9 | I126 L128 L236 A265 A272 R278 W279 G283 V284 | I126-M281 HydrophobicContact CB-CE 4.33Å; I126-M281 HydrophobicContact CD1-CE 4.08Å; I126-M281 HydrophobicContact CG1-CE 4.41Å; L128-M281 HydrophobicContact CD2-SD 4.44Å; L236-M281 HydrophobicContact CD1-SD 4Å; A265-M281 HydrophobicContact CB-CE 4.4Å; A272-M281 HydrophobicContact CB-CE 3.79Å; A272-M281 HydrophobicContact CB-CG 3.63Å; R278-M281 PolarHBondContact O-N 3.5Å; W279-M281 PolarHBondContact O-N 3.3Å; M281-G283 PolarHBondContact O-N 3.46Å; M281-V284 HydrophobicContact CB-CB 4.45Å; M281-V284 HydrophobicContact CB-CG1 4.23Å; M281-V284 WeakPolarHBondContact O-CB 3.49Å; M281-V284 WeakPolarHBondContact O-CG1 3.15Å; M281-V284 PolarHBondContact O-N 3.09Å; M281-V284 VanDerWaalsContact O-N 3.13Å |
| 282 | E | 97.9 | Very high | 98.1 | Very high | 125 Ų | 125 | 36.2 Ų | 36.2 | 58% | 0.584 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 130.3 | 176.1 | -167.6 | 174.9 | -174 | 0 | 0 | 110.2 | P248 W279 | P248-E282 HydrophobicContact CB-CG 4.48Å; P248-E282 WeakPolarHBondContact CD-O 3.42Å; P248-E282 HydrophobicContact CG-CB 3.94Å; P248-E282 HydrophobicContact CG-CG 3.84Å; P248-E282 WeakPolarHBondContact CG-O 3.22Å; W279-E282 WeakPolarHBondContact O-CB 3.37Å; W279-E282 PolarHBondContact O-N 3.1Å; W279-E282 VanDerWaalsContact O-N 3.13Å |
| 283 | G | 98.2 | Very high | 98.1 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | 0 | -175 | 0 | 0 | 0 | 0 | 0 | 115 | M281 E285 H286 | M281-G283 PolarHBondContact O-N 3.46Å; G283-E285 VanDerWaalsContact CA-OE2 3.26Å; G283-E285 WeakPolarHBondContact CA-OE2 3.43Å; G283-E285 PolarHBondContact N-OE2 3.08Å; G283-E285 PolarHBondContact O-N 2.81Å; G283-E285 VanDerWaalsContact O-N 3.17Å; G283-H286 WeakPolarHBondContact O-CB 3.48Å; G283-H286 PolarHBondContact O-CD2 3.45Å; G283-H286 PolarHBondContact O-N 3.03Å |
| 284 | V | 98.4 | Very high | 98.1 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.018 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -63.7 | -20.3 | -179.4 | 78.7 | 0 | 0 | 0 | 0 | 113.5 | L128 P129 L247 M281 H286 A287 I290 | L128-V284 HydrophobicContact CD2-CG1 4.39Å; L128-V284 HydrophobicContact CD2-CG2 4.22Å; P129-V284 HydrophobicContact CG-CG1 4.04Å; L247-V284 HydrophobicContact CD2-CB 4.19Å; M281-V284 HydrophobicContact CB-CB 4.45Å; M281-V284 HydrophobicContact CB-CG1 4.23Å; M281-V284 WeakPolarHBondContact O-CB 3.49Å; M281-V284 WeakPolarHBondContact O-CG1 3.15Å; M281-V284 PolarHBondContact O-N 3.09Å; M281-V284 VanDerWaalsContact O-N 3.13Å; V284-H286 PolarHBondContact O-N 2.91Å; V284-H286 VanDerWaalsContact O-N 3.16Å; V284-A287 HydrophobicContact CG2-CB 4.42Å; V284-A287 VanDerWaalsContact O-CB 3.26Å; V284-A287 WeakPolarHBondContact O-CB 3.44Å; V284-A287 PolarHBondContact O-N 3.25Å; V284-I290 HydrophobicContact CG2-CD1 3.42Å; V284-I290 VanDerWaalsContact CG2-CD1 3.42Å; V284-I290 HydrophobicContact CG2-CG1 3.93Å |
| 285 | E | 97.9 | Very high | 98.1 | Very high | 99 Ų | 99 | 36.9 Ų | 36.9 | 46% | 0.463 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -59.2 | -20.7 | 171.5 | 65.8 | -84.9 | -162.7 | 0 | 0 | 113.4 | P129 G283 K310 | P129-E285 HydrophobicContact CG-CB 4.05Å; G283-E285 VanDerWaalsContact CA-OE2 3.26Å; G283-E285 WeakPolarHBondContact CA-OE2 3.43Å; G283-E285 PolarHBondContact N-OE2 3.08Å; G283-E285 PolarHBondContact O-N 2.81Å; G283-E285 VanDerWaalsContact O-N 3.17Å; E285-K310 WeakPolarHBondContact O-CE 3.46Å; E285-K310 PolarHBondContact O-NZ 2.89Å |
| 286 | H | 98.5 | Very high | 98.1 | Very high | 39 Ų | 39 | 35.7 Ų | 35.7 | 18% | 0.181 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -78.4 | -23 | 173.7 | -66.9 | -77.6 | 0 | 0 | 0 | 112.9 | G251 N255 L261 G283 V284 K310 | G251-H286 VanDerWaalsContact CA-CB 3.48Å; N255-H286 PolarHBondContact ND2-ND1 2.86Å; L261-H286 HydrophobicContact CD2-CB 3.97Å; G283-H286 WeakPolarHBondContact O-CB 3.48Å; G283-H286 PolarHBondContact O-CD2 3.45Å; G283-H286 PolarHBondContact O-N 3.03Å; V284-H286 PolarHBondContact O-N 2.91Å; V284-H286 VanDerWaalsContact O-N 3.16Å; H286-K310 PolarHBondContact O-NZ 3.12Å |
| 287 | A | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | -62.7 | 142.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F132 V263 V284 I290 K310 | F132-A287 HydrophobicContact CZ-CB 4.36Å; V263-A287 HydrophobicContact CB-CB 4.45Å; V263-A287 HydrophobicContact CG2-CB 3.65Å; V284-A287 HydrophobicContact CG2-CB 4.42Å; V284-A287 VanDerWaalsContact O-CB 3.26Å; V284-A287 WeakPolarHBondContact O-CB 3.44Å; V284-A287 PolarHBondContact O-N 3.25Å; A287-I290 HydrophobicContact CB-CD1 4.39Å; A287-I290 HydrophobicContact CB-CG1 3.86Å; A287-K310 WeakPolarHBondContact O-CE 3.49Å; A287-K310 PolarHBondContact O-NZ 3.15Å | ||
| 288 | D | 98.8 | Very high | 98 | Very high | 34 Ų | 34 | 29.2 Ų | 29.2 | 18% | 0.182 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -84.9 | -35.6 | 166.8 | -67.2 | -69.2 | 0 | 0 | 0 | 110.7 | W260 L261 K310 | W260-D288 WeakPolarHBondContact CA-OD2 3.47Å; W260-D288 HydrophobicContact CD2-CB 3.55Å; W260-D288 VanDerWaalsContact CE2-CB 3.45Å; W260-D288 HydrophobicContact CE3-CB 3.92Å; W260-D288 HydrophobicContact CG-CB 4.07Å; W260-D288 HydrophobicContact CH2-CB 4.15Å; W260-D288 HydrophobicContact CZ2-CB 3.82Å; W260-D288 HydrophobicContact CZ3-CB 4.19Å; L261-D288 PolarHBondContact N-OD2 2.79Å; L261-D288 PolarHBondContact O-N 3.36Å; D288-K310 PolarHBondContact O-N 3.4Å |
| 289 | T | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 151.1 | 178.6 | 48.9 | 0 | 0 | 0 | 0 | 112.2 | S155 W260 L261 H262 V263 F307 W308 M309 | S155-T289 WeakPolarHBondContact CB-OG1 3.41Å; S155-T289 PolarHBondContact OG-OG1 3.47Å; W260-T289 HydrophobicContact CH2-CG2 4.36Å; W260-T289 HydrophobicContact CZ2-CG2 3.49Å; W260-T289 VanDerWaalsContact CZ2-CG2 3.49Å; W260-T289 PolarHBondContact NE1-OG1 2.87Å; L261-T289 PolarHBondContact O-N 2.89Å; H262-T289 WeakPolarHBondContact CA-O 3.33Å; H262-T289 PolarHBondContact ND1-O 2.71Å; H262-T289 PolarHBondContact ND1-OG1 3.43Å; V263-T289 PolarHBondContact N-O 3.32Å; T289-F307 HydrophobicContact CG2-CE1 4.22Å; T289-F307 HydrophobicContact CG2-CE2 4Å; T289-F307 HydrophobicContact CG2-CZ 3.5Å; T289-W308 CarbonylContact C-O 3.59Å; T289-W308 WeakPolarHBondContact CA-O 3.47Å; T289-W308 WeakPolarHBondContact CB-O 3.35Å; T289-M309 HydrophobicContact CG2-CB 4.37Å; T289-M309 HydrophobicContact CG2-CG 3.94Å |
| 290 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 134.5 | -176.3 | -54.4 | 158.9 | 0 | 0 | 0 | 108.9 | L128 F132 V263 V284 A287 F307 W308 | L128-I290 HydrophobicContact CD1-CD1 3.93Å; L128-I290 HydrophobicContact CD2-CD1 3.87Å; L128-I290 HydrophobicContact CG-CD1 4.48Å; F132-I290 HydrophobicContact CD1-CD1 4.17Å; F132-I290 HydrophobicContact CD2-CD1 4.07Å; F132-I290 HydrophobicContact CE1-CD1 3.77Å; F132-I290 HydrophobicContact CE1-CG1 4.34Å; F132-I290 HydrophobicContact CE2-CD1 3.67Å; F132-I290 HydrophobicContact CG-CD1 4.31Å; F132-I290 HydrophobicContact CZ-CD1 3.51Å; F132-I290 HydrophobicContact CZ-CG1 4.28Å; V263-I290 HydrophobicContact CB-CG1 4.25Å; V263-I290 HydrophobicContact CB-CG2 4.34Å; V263-I290 HydrophobicContact CG1-CG2 4.36Å; V263-I290 CarbonylContact O-C 3.34Å; V263-I290 WeakPolarHBondContact O-CA 3.39Å; V284-I290 HydrophobicContact CG2-CD1 3.42Å; V284-I290 VanDerWaalsContact CG2-CD1 3.42Å; V284-I290 HydrophobicContact CG2-CG1 3.93Å; A287-I290 HydrophobicContact CB-CD1 4.39Å; A287-I290 HydrophobicContact CB-CG1 3.86Å; I290-F307 CarbonylContact O-C 3.54Å; I290-F307 WeakPolarHBondContact O-CA 3.33Å; I290-W308 HydrophobicContact CB-CE3 4.37Å; I290-W308 HydrophobicContact CG2-CE3 4.39Å; I290-W308 PolarHBondContact N-O 3.37Å; I290-W308 PolarHBondContact O-N 2.95Å |
| 291 | T | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 137.9 | 172.1 | -63.9 | 0 | 0 | 0 | 0 | 110.8 | A148 H262 V263 A265 A306 | A148-T291 VanDerWaalsContact CA-CG2 3.49Å; A148-T291 HydrophobicContact CB-CG2 3.42Å; A148-T291 VanDerWaalsContact CB-CG2 3.42Å; H262-T291 PolarHBondContact CE1-OG1 3.18Å; H262-T291 PolarHBondContact NE2-OG1 3.04Å; H262-T291 VanDerWaalsContact NE2-OG1 3.13Å; V263-T291 PolarHBondContact O-N 3Å; A265-T291 CarbonylContact C-O 3.57Å; A265-T291 VanDerWaalsContact C-O 3.27Å; A265-T291 VanDerWaalsContact CA-O 3.28Å; A265-T291 WeakPolarHBondContact CA-O 3.4Å; A265-T291 WeakPolarHBondContact CB-O 3.39Å; A265-T291 PolarHBondContact N-O 3.29Å; T291-A306 CarbonylContact C-O 3.58Å; T291-A306 WeakPolarHBondContact CA-O 3.49Å |
| 292 | H | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 141.6 | 173.6 | 171.7 | -115.4 | 0 | 0 | 0 | 110 | A265 G269 S270 P294 L298 S305 A306 W308 | A265-H292 PolarHBondContact O-CD2 3.07Å; G269-H292 VanDerWaalsContact C-CD2 3.46Å; S270-H292 VanDerWaalsContact CA-NE2 3.33Å; S270-H292 WeakPolarHBondContact CA-NE2 3.47Å; S270-H292 PolarHBondContact N-CD2 2.94Å; S270-H292 PolarHBondContact N-NE2 2.98Å; S270-H292 VanDerWaalsContact N-NE2 3.13Å; S270-H292 PolarHBondContact OG-NE2 3.39Å; H292-P294 WeakPolarHBondContact ND1-CD 3.41Å; H292-P294 WeakPolarHBondContact O-CD 3.49Å; H292-L298 VanDerWaalsContact CE1-CD1 3.5Å; H292-L298 WeakPolarHBondContact CE1-CD1 3.31Å; H292-S305 CarbonylContact O-C 3.54Å; H292-A306 HydrophobicContact CB-CB 4.47Å; H292-A306 PolarHBondContact N-O 3.14Å; H292-A306 PolarHBondContact O-N 2.86Å; H292-W308 HydrophobicContact CB-CH2 4.2Å; H292-W308 HydrophobicContact CB-CZ3 3.69Å |
| 293 | N | 98.6 | Very high | 98.1 | Very high | 4 Ų | 4 | 21.5 Ų | 21.5 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | trans | -109.2 | 95.8 | 177.3 | -66.1 | -7.9 | 0 | 0 | 0 | 111 | A266 H295 K296 S305 | A266-N293 HydrophobicContact CB-CB 4.47Å; A266-N293 VanDerWaalsContact O-CB 3.31Å; A266-N293 WeakPolarHBondContact O-CB 3.27Å; A266-N293 PolarHBondContact O-N 3.47Å; N293-H295 VanDerWaalsContact CB-CE1 3.49Å; N293-H295 WeakPolarHBondContact CB-CE1 3.16Å; N293-H295 VanDerWaalsContact CG-NE2 3.35Å; N293-H295 PolarHBondContact ND2-CE1 2.65Å; N293-H295 VanDerWaalsContact ND2-CE1 3.28Å; N293-H295 PolarHBondContact ND2-NE2 2.95Å; N293-H295 PolarHBondContact O-N 3.06Å; N293-H295 VanDerWaalsContact O-N 3.09Å; N293-K296 HydrophobicContact CB-CB 4.21Å; N293-K296 HydrophobicContact CB-CD 4.06Å; N293-K296 HydrophobicContact CB-CG 3.78Å; N293-K296 PolarHBondContact O-N 3.45Å; N293-S305 WeakPolarHBondContact OD1-CB 3.32Å; N293-S305 PolarHBondContact OD1-OG 2.89Å | ||
| 294 | P | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -50.3 | -31.5 | 163.5 | -29.8 | 35 | 0 | 0 | 0 | 112.9 | L122 H292 K296 L298 V300 C304 A306 | L122-P294 HydrophobicContact CD1-CG 4.46Å; L122-P294 HydrophobicContact CD2-CG 3.52Å; H292-P294 WeakPolarHBondContact ND1-CD 3.41Å; H292-P294 WeakPolarHBondContact O-CD 3.49Å; P294-K296 PolarHBondContact O-N 3.16Å; P294-L298 HydrophobicContact CB-CB 4.27Å; P294-L298 CarbonylContact O-C 3.55Å; P294-L298 WeakPolarHBondContact O-CA 3.05Å; P294-L298 WeakPolarHBondContact O-CB 3.32Å; P294-L298 PolarHBondContact O-N 3.44Å; P294-L298 VanDerWaalsContact O-N 3.09Å; P294-V300 HydrophobicContact CB-CB 4.08Å; P294-V300 HydrophobicContact CB-CG2 3.94Å; P294-C304 VanDerWaalsContact CD-O 3.31Å; P294-C304 WeakPolarHBondContact CD-O 3.28Å; P294-A306 HydrophobicContact CG-CB 4.37Å |
| 295 | H | 98 | Very high | 98.1 | Very high | 11 Ų | 11 | 21.3 Ų | 21.3 | 5% | 0.051 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -72.9 | 3.8 | 175.5 | 71.5 | -105.2 | 0 | 0 | 0 | 116.2 | T82 G83 N293 V300 F302 C304 | T82-H295 CarbonylContact C-O 3.58Å; T82-H295 WeakPolarHBondContact CA-O 3.47Å; G83-H295 PolarHBondContact N-O 3.22Å; N293-H295 VanDerWaalsContact CB-CE1 3.49Å; N293-H295 WeakPolarHBondContact CB-CE1 3.16Å; N293-H295 VanDerWaalsContact CG-NE2 3.35Å; N293-H295 PolarHBondContact ND2-CE1 2.65Å; N293-H295 VanDerWaalsContact ND2-CE1 3.28Å; N293-H295 PolarHBondContact ND2-NE2 2.95Å; N293-H295 PolarHBondContact O-N 3.06Å; N293-H295 VanDerWaalsContact O-N 3.09Å; H295-V300 WeakPolarHBondContact CA-O 3.45Å; H295-F302 HydrophobicContact CB-CB 4.37Å; H295-F302 AromaticContact CD2-CD2 3.55Å; H295-F302 AromaticContact CG-CD2 3.89Å; H295-F302 AromaticContact NE2-CD2 3.73Å; H295-F302 AromaticContact NE2-CE2 3.92Å; H295-C304 HydrophobicContact CB-CB 4.24Å; H295-C304 PolarHBondContact ND1-N 3.15Å; H295-C304 PolarHBondContact ND1-O 3.32Å |
| 296 | K | 97.8 | Very high | 98.1 | Very high | 42 Ų | 42 | 16.6 Ų | 16.6 | 18% | 0.183 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -96.6 | -66 | 169.4 | -74.6 | -174.9 | 177.1 | 176.6 | 0 | 111.2 | F80 P81 T82 G83 A266 N293 P294 | F80-K296 HydrophobicContact CB-CD 4.39Å; P81-K296 CarbonylContact C-O 3.58Å; P81-K296 CarbonylContact O-C 3.27Å; P81-K296 VanDerWaalsContact O-CA 3.28Å; P81-K296 WeakPolarHBondContact O-CA 3.43Å; T82-K296 CarbonylContact C-O 3.6Å; G83-K296 PolarHBondContact N-O 3.34Å; A266-K296 HydrophobicContact CB-CD 4.4Å; N293-K296 HydrophobicContact CB-CB 4.21Å; N293-K296 HydrophobicContact CB-CD 4.06Å; N293-K296 HydrophobicContact CB-CG 3.78Å; N293-K296 PolarHBondContact O-N 3.45Å; P294-K296 PolarHBondContact O-N 3.16Å |
| 297 | A | 95.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 14.8 Ų | 14.8 | 2% | 0.017 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -123.7 | 9.4 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y267 F369 | Y267-A297 HydrophobicContact CD2-CB 4.34Å; Y267-A297 HydrophobicContact CE2-CB 4.13Å; A297-F369 HydrophobicContact CB-CD2 4.01Å; A297-F369 HydrophobicContact CB-CE2 3.87Å |
| 298 | L | 97.1 | Very high | 98.2 | Very high | 4 Ų | 4 | 14.8 Ų | 14.8 | 2% | 0.021 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -110.1 | 21.5 | 176.9 | -60.2 | -164.4 | 0 | 0 | 0 | 114.6 | L122 I273 H292 P294 V300 | L122-L298 HydrophobicContact CD1-CD1 3.84Å; I273-L298 HydrophobicContact CD1-CD2 3.64Å; I273-L298 HydrophobicContact CG2-CD1 4.12Å; I273-L298 HydrophobicContact CG2-CD2 3.94Å; H292-L298 VanDerWaalsContact CE1-CD1 3.5Å; H292-L298 WeakPolarHBondContact CE1-CD1 3.31Å; P294-L298 HydrophobicContact CB-CB 4.27Å; P294-L298 CarbonylContact O-C 3.55Å; P294-L298 WeakPolarHBondContact O-CA 3.05Å; P294-L298 WeakPolarHBondContact O-CB 3.32Å; P294-L298 PolarHBondContact O-N 3.44Å; P294-L298 VanDerWaalsContact O-N 3.09Å; L298-V300 PolarHBondContact O-N 3.41Å; L298-V300 VanDerWaalsContact O-N 3.09Å |
| 299 | M | 97.3 | Very high | 98.1 | Very high | 28 Ų | 28 | 13.2 Ų | 13.2 | 14% | 0.138 | 6% | 0.063 | C | C | . | . | S | Bend | trans | 63 | 16 | 172.3 | -49.5 | 177.2 | 65.6 | 0 | 0 | 115.4 | N84 S85 T356 Y360 L365 N368 | N84-M299 CarbonylContact C-O 3.59Å; S85-M299 VanDerWaalsContact CB-O 3.25Å; S85-M299 WeakPolarHBondContact CB-O 3.25Å; S85-M299 PolarHBondContact N-O 3.39Å; S85-M299 PolarHBondContact OG-O 3.31Å; M299-T356 HydrophobicContact CB-CG2 4.32Å; M299-Y360 HydrophobicContact CE-CD2 4.42Å; M299-Y360 HydrophobicContact CE-CE1 3.97Å; M299-Y360 HydrophobicContact CE-CE2 3.75Å; M299-Y360 VanDerWaalsContact CE-CZ 3.49Å; M299-Y360 HydrophobicContact SD-CD2 4.49Å; M299-Y360 HydrophobicContact SD-CE2 4.35Å; M299-L365 HydrophobicContact CB-CD2 4.46Å; M299-L365 HydrophobicContact CG-CD2 4.45Å; M299-L365 HydrophobicContact SD-CD2 4.18Å; M299-N368 WeakPolarHBondContact CG-ND2 3.44Å; M299-N368 HydrophobicContact SD-CB 3.66Å; M299-N368 PolarHBondContact SD-ND2 3.1Å; M299-N368 VanDerWaalsContact SD-ND2 3.43Å |
| 300 | V | 98.4 | Very high | 98.1 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.006 | 7% | 0.072 | C | C | . | . | P | Polyproline II helix | trans | -91.8 | 137.7 | 171.9 | -176 | 0 | 0 | 0 | 0 | 108.4 | G83 P294 H295 L298 C304 K352 L353 T356 | G83-V300 CarbonylContact C-O 3.55Å; G83-V300 WeakPolarHBondContact CA-O 3.22Å; G83-V300 CarbonylContact O-C 3.33Å; P294-V300 HydrophobicContact CB-CB 4.08Å; P294-V300 HydrophobicContact CB-CG2 3.94Å; H295-V300 WeakPolarHBondContact CA-O 3.45Å; L298-V300 PolarHBondContact O-N 3.41Å; L298-V300 VanDerWaalsContact O-N 3.09Å; V300-C304 HydrophobicContact CG1-CB 3.81Å; V300-K352 HydrophobicContact CG1-CD 3.76Å; V300-K352 HydrophobicContact CG1-CG 3.97Å; V300-L353 HydrophobicContact CG2-CD1 3.93Å; V300-T356 HydrophobicContact CG2-CG2 3.99Å |
| 301 | N | 96.5 | Very high | 98.1 | Very high | 41 Ų | 41 | 17.5 Ų | 17.5 | 22% | 0.219 | 8% | 0.084 | C | C | . | . | P | Polyproline II helix | trans | -69.3 | 149.7 | 179.7 | -162.3 | -3.2 | 0 | 0 | 0 | 111.3 | G83 S88 K352 | G83-N301 WeakPolarHBondContact O-CA 3.45Å; S88-N301 VanDerWaalsContact OG-CB 3.26Å; S88-N301 WeakPolarHBondContact OG-CB 3.35Å; S88-N301 PolarHBondContact OG-N 3.01Å; N301-K352 WeakPolarHBondContact O-CE 3.41Å; N301-K352 PolarHBondContact O-NZ 3.22Å |
| 302 | F | 98.1 | Very high | 98 | Very high | 117 Ų | 117 | 17.7 Ų | 17.7 | 51% | 0.513 | 9% | 0.085 | S | C | . | . | S | Bend | trans | -65.3 | 144.2 | 171.2 | -175.5 | -89 | 0 | 0 | 0 | 110.6 | H295 K352 | H295-F302 HydrophobicContact CB-CB 4.37Å; H295-F302 AromaticContact CD2-CD2 3.55Å; H295-F302 AromaticContact CG-CD2 3.89Å; H295-F302 AromaticContact NE2-CD2 3.73Å; H295-F302 AromaticContact NE2-CE2 3.92Å; F302-K352 PolarHBondContact O-NZ 3Å |
| 303 | D | 98 | Very high | 97.8 | Very high | 25 Ų | 25 | 21.1 Ų | 21.1 | 13% | 0.134 | 10% | 0.103 | C | C | . | . | S | Bend | cis | -86.5 | 140.2 | -7.9 | 62.8 | -39.8 | 0 | 0 | 0 | 112.6 | G146 R347 R349 K352 | G146-D303 WeakPolarHBondContact CA-OD2 3.45Å; G146-D303 WeakPolarHBondContact O-CB 3.48Å; D303-R347 IonicContact OD1-CZ 3.01Å; D303-R347 VanDerWaalsContact OD1-CZ 3.27Å; D303-R347 IonicContact OD1-NE 3.31Å; D303-R347 PolarHBondContact OD1-NE 2.78Å; D303-R347 IonicContact OD1-NH2 3.29Å; D303-R347 PolarHBondContact OD1-NH2 3.45Å; D303-R349 IonicContact OD1-NE 2.67Å; D303-R349 IonicContact OD2-CZ 3.17Å; D303-R349 VanDerWaalsContact OD2-CZ 3.31Å; D303-R349 IonicContact OD2-NE 2.81Å; D303-R349 PolarHBondContact OD2-NE 3.09Å; D303-R349 IonicContact OD2-NH2 3.69Å; D303-R349 PolarHBondContact OD2-NH2 3.25Å; D303-K352 WeakPolarHBondContact O-CE 3.42Å; D303-K352 PolarHBondContact O-NZ 2.99Å |
| 304 | C | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -166.5 | 82 | 174.1 | -174.1 | 0 | 0 | 0 | 0 | 110.1 | I144 P294 H295 V300 | I144-C304 HydrophobicContact CG2-CB 4.47Å; P294-C304 VanDerWaalsContact CD-O 3.31Å; P294-C304 WeakPolarHBondContact CD-O 3.28Å; H295-C304 HydrophobicContact CB-CB 4.24Å; H295-C304 PolarHBondContact ND1-N 3.15Å; H295-C304 PolarHBondContact ND1-O 3.32Å; V300-C304 HydrophobicContact CG1-CB 3.81Å | ||
| 305 | S | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 114.7 | 179.8 | -171.7 | 0 | 0 | 0 | 0 | 109.9 | I144 Q145 S147 A148 H292 N293 | I144-S305 CarbonylContact C-O 3.47Å; I144-S305 WeakPolarHBondContact CA-O 3.26Å; Q145-S305 PolarHBondContact N-O 3.39Å; Q145-S305 PolarHBondContact O-N 3.08Å; S147-S305 VanDerWaalsContact C-CB 3.45Å; S147-S305 VanDerWaalsContact C-OG 3.26Å; S147-S305 PolarHBondContact O-OG 3.27Å; A148-S305 WeakPolarHBondContact CA-OG 3.45Å; A148-S305 PolarHBondContact N-OG 3.22Å; H292-S305 CarbonylContact O-C 3.54Å; N293-S305 WeakPolarHBondContact OD1-CB 3.32Å; N293-S305 PolarHBondContact OD1-OG 2.89Å |
| 306 | A | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.008 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 127.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110 | M119 L122 T291 H292 P294 W308 | M119-A306 HydrophobicContact CE-CB 3.74Å; M119-A306 HydrophobicContact SD-CB 4.09Å; L122-A306 HydrophobicContact CD2-CB 3.5Å; T291-A306 CarbonylContact C-O 3.58Å; T291-A306 WeakPolarHBondContact CA-O 3.49Å; H292-A306 HydrophobicContact CB-CB 4.47Å; H292-A306 PolarHBondContact N-O 3.14Å; H292-A306 PolarHBondContact O-N 2.86Å; P294-A306 HydrophobicContact CG-CB 4.37Å; A306-W308 HydrophobicContact CB-CE3 4.31Å; A306-W308 HydrophobicContact CB-CH2 3.38Å; A306-W308 HydrophobicContact CB-CZ2 3.97Å; A306-W308 HydrophobicContact CB-CZ3 3.58Å |
| 307 | F | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 116.2 | 178 | 178.2 | -104.5 | 0 | 0 | 0 | 109.5 | G142 V143 Q145 G151 L154 H262 T289 I290 M309 I315 | G142-F307 CarbonylContact C-O 3.57Å; G142-F307 WeakPolarHBondContact CA-O 3.26Å; V143-F307 HydrophobicContact CG1-CB 4.15Å; V143-F307 HydrophobicContact CG1-CD1 3.82Å; V143-F307 HydrophobicContact CG1-CG 4.48Å; V143-F307 PolarHBondContact N-O 2.99Å; V143-F307 PolarHBondContact O-N 3.42Å; Q145-F307 HydrophobicContact CG-CB 3.97Å; G151-F307 WeakPolarHBondContact O-CE2 3.15Å; L154-F307 HydrophobicContact CB-CE1 4.49Å; L154-F307 HydrophobicContact CB-CZ 4.3Å; H262-F307 AromaticContact CE1-CE2 3.88Å; T289-F307 HydrophobicContact CG2-CE1 4.22Å; T289-F307 HydrophobicContact CG2-CE2 4Å; T289-F307 HydrophobicContact CG2-CZ 3.5Å; I290-F307 CarbonylContact O-C 3.54Å; I290-F307 WeakPolarHBondContact O-CA 3.33Å; F307-M309 HydrophobicContact CD1-CE 4.26Å; F307-M309 HydrophobicContact CD1-CG 4.01Å; F307-M309 HydrophobicContact CD1-SD 4.06Å; F307-M309 HydrophobicContact CE1-CG 3.46Å; F307-M309 VanDerWaalsContact CE1-CG 3.46Å; F307-M309 HydrophobicContact CE1-SD 3.75Å; F307-M309 HydrophobicContact CZ-CG 4.19Å; F307-I315 HydrophobicContact CE1-CD1 4.07Å; F307-I315 HydrophobicContact CE1-CG1 4.24Å; F307-I315 HydrophobicContact CZ-CD1 4.07Å |
| 308 | W | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 150.1 | 175.7 | -65.3 | -93.1 | 0 | 0 | 0 | 111.6 | M119 L122 A123 I126 L128 F132 G141 T289 I290 H292 A306 | M119-W308 HydrophobicContact CE-CD2 3.83Å; M119-W308 VanDerWaalsContact CE-CE2 3.42Å; M119-W308 HydrophobicContact CE-CE3 4.45Å; M119-W308 HydrophobicContact CE-CG 4.22Å; M119-W308 HydrophobicContact CE-CH2 4.4Å; M119-W308 HydrophobicContact CE-CZ2 3.74Å; M119-W308 PolarHBondContact O-NE1 2.96Å; L122-W308 HydrophobicContact CB-CH2 4.41Å; L122-W308 HydrophobicContact CB-CZ2 3.93Å; L122-W308 HydrophobicContact CD2-CH2 3.51Å; L122-W308 HydrophobicContact CD2-CZ2 3.74Å; L122-W308 HydrophobicContact CG-CH2 3.68Å; L122-W308 HydrophobicContact CG-CZ2 3.71Å; A123-W308 HydrophobicContact CB-CZ2 4.24Å; I126-W308 HydrophobicContact CD1-CH2 3.72Å; I126-W308 HydrophobicContact CD1-CZ2 4.42Å; I126-W308 HydrophobicContact CD1-CZ3 3.97Å; L128-W308 HydrophobicContact CD1-CB 4.4Å; L128-W308 HydrophobicContact CD1-CD2 3.61Å; L128-W308 HydrophobicContact CD1-CE3 3.83Å; L128-W308 HydrophobicContact CD1-CG 3.88Å; L128-W308 HydrophobicContact CD1-CZ2 4.37Å; L128-W308 HydrophobicContact CD1-CZ3 4.26Å; F132-W308 HydrophobicContact CB-CB 4.26Å; F132-W308 HydrophobicContact CB-CG 4.45Å; F132-W308 HydrophobicContact CD1-CB 3.95Å; F132-W308 HydrophobicContact CG-CB 4.39Å; G141-W308 CarbonylContact O-C 3.58Å; G141-W308 WeakPolarHBondContact O-CA 3.15Å; T289-W308 CarbonylContact C-O 3.59Å; T289-W308 WeakPolarHBondContact CA-O 3.47Å; T289-W308 WeakPolarHBondContact CB-O 3.35Å; I290-W308 HydrophobicContact CB-CE3 4.37Å; I290-W308 HydrophobicContact CG2-CE3 4.39Å; I290-W308 PolarHBondContact N-O 3.37Å; I290-W308 PolarHBondContact O-N 2.95Å; H292-W308 HydrophobicContact CB-CH2 4.2Å; H292-W308 HydrophobicContact CB-CZ3 3.69Å; A306-W308 HydrophobicContact CB-CE3 4.31Å; A306-W308 HydrophobicContact CB-CH2 3.38Å; A306-W308 HydrophobicContact CB-CZ2 3.97Å; A306-W308 HydrophobicContact CB-CZ3 3.58Å |
| 309 | M | 98.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 133.6 | 178.8 | -59.5 | 141.6 | -71.2 | 0 | 0 | 108.3 | G140 G141 V143 T289 F307 N311 I315 Y340 | G140-M309 WeakPolarHBondContact CA-O 3.46Å; G141-M309 PolarHBondContact N-O 3.3Å; G141-M309 VanDerWaalsContact N-O 3.11Å; G141-M309 WeakPolarHBondContact O-CE 3.44Å; G141-M309 PolarHBondContact O-N 2.94Å; V143-M309 HydrophobicContact CG1-CE 4Å; T289-M309 HydrophobicContact CG2-CB 4.37Å; T289-M309 HydrophobicContact CG2-CG 3.94Å; F307-M309 HydrophobicContact CD1-CE 4.26Å; F307-M309 HydrophobicContact CD1-CG 4.01Å; F307-M309 HydrophobicContact CD1-SD 4.06Å; F307-M309 HydrophobicContact CE1-CG 3.46Å; F307-M309 VanDerWaalsContact CE1-CG 3.46Å; F307-M309 HydrophobicContact CE1-SD 3.75Å; F307-M309 HydrophobicContact CZ-CG 4.19Å; M309-N311 PolarHBondContact O-N 3.32Å; M309-I315 HydrophobicContact CG-CG1 3.73Å; M309-I315 HydrophobicContact SD-CB 4.02Å; M309-I315 HydrophobicContact SD-CG1 3.61Å; M309-I315 HydrophobicContact SD-CG2 4.39Å; M309-Y340 HydrophobicContact CE-CD2 4.05Å; M309-Y340 HydrophobicContact CE-CE2 4.33Å; M309-Y340 HydrophobicContact SD-CG 4.49Å |
| 310 | K | 98.3 | Very high | 96.5 | Very high | 43 Ų | 43 | 31.2 Ų | 31.2 | 19% | 0.187 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -66.1 | -31.5 | 170.5 | -180 | 179.1 | -84.5 | 160.2 | 0 | 111 | I131 F132 G140 E285 H286 A287 D288 | I131-K310 HydrophobicContact CD1-CD 4.12Å; I131-K310 HydrophobicContact CD1-CG 3.75Å; I131-K310 HydrophobicContact CG1-CG 4.07Å; I131-K310 HydrophobicContact CG2-CG 4.38Å; F132-K310 HydrophobicContact CD1-CB 4.38Å; F132-K310 HydrophobicContact CE1-CB 3.75Å; F132-K310 HydrophobicContact CZ-CB 4.29Å; G140-K310 WeakPolarHBondContact CA-O 3.26Å; G140-K310 PolarHBondContact N-O 2.77Å; E285-K310 WeakPolarHBondContact O-CE 3.46Å; E285-K310 PolarHBondContact O-NZ 2.89Å; H286-K310 PolarHBondContact O-NZ 3.12Å; A287-K310 WeakPolarHBondContact O-CE 3.49Å; A287-K310 PolarHBondContact O-NZ 3.15Å; D288-K310 PolarHBondContact O-N 3.4Å |
| 311 | N | 97.6 | Very high | 96 | Very high | 47 Ų | 47 | 36.4 Ų | 36.4 | 25% | 0.251 | 19% | 0.192 | S | C | . | . | trans | -143.7 | 104.5 | 176.6 | -177.2 | -5.8 | 0 | 0 | 0 | 110 | P139 M309 N313 N314 | P139-N311 HydrophobicContact CB-CB 4.46Å; P139-N311 WeakPolarHBondContact CB-OD1 3.37Å; P139-N311 HydrophobicContact CG-CB 3.94Å; M309-N311 PolarHBondContact O-N 3.32Å; N311-N313 PolarHBondContact O-N 2.89Å; N311-N313 VanDerWaalsContact OD1-CB 3.25Å; N311-N313 WeakPolarHBondContact OD1-CB 3.44Å; N311-N313 PolarHBondContact OD1-N 3.39Å; N311-N313 VanDerWaalsContact OD1-N 3.12Å; N311-N313 PolarHBondContact OD1-ND2 2.95Å; N311-N314 WeakPolarHBondContact O-CB 3.5Å; N311-N314 PolarHBondContact O-N 3.05Å | ||
| 312 | C | 97.2 | Very high | 95.6 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 3% | 0.027 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.8 | -31.3 | -179.2 | -66.4 | 0 | 0 | 0 | 0 | 112.8 | P139 G140 N314 I315 E316 Y340 | P139-C312 WeakPolarHBondContact O-CB 3.38Å; P139-C312 PolarHBondContact O-N 2.85Å; P139-C312 PolarHBondContact O-SG 3.36Å; P139-C312 VanDerWaalsContact O-SG 3.4Å; G140-C312 VanDerWaalsContact C-SG 3.59Å; C312-N314 PolarHBondContact O-N 3.09Å; C312-N314 VanDerWaalsContact O-N 3.1Å; C312-I315 PolarHBondContact O-N 3.19Å; C312-E316 PolarHBondContact O-N 3.45Å; C312-Y340 HydrophobicContact CB-CE1 3.92Å; C312-Y340 HydrophobicContact CB-CE2 4.32Å; C312-Y340 VanDerWaalsContact CB-OH 3.23Å; C312-Y340 WeakPolarHBondContact CB-OH 3.43Å |
| 313 | N | 95.6 | Very high | 95.4 | Very high | 73 Ų | 73 | 35.4 Ų | 35.4 | 39% | 0.39 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -58.7 | -28.5 | 179.8 | -61.3 | -39.6 | 0 | 0 | 0 | 112.4 | N311 I315 Q317 | N311-N313 PolarHBondContact O-N 2.89Å; N311-N313 VanDerWaalsContact OD1-CB 3.25Å; N311-N313 WeakPolarHBondContact OD1-CB 3.44Å; N311-N313 PolarHBondContact OD1-N 3.39Å; N311-N313 VanDerWaalsContact OD1-N 3.12Å; N311-N313 PolarHBondContact OD1-ND2 2.95Å; N313-I315 VanDerWaalsContact C-N 3.33Å; N313-Q317 WeakPolarHBondContact O-CB 3.28Å; N313-Q317 WeakPolarHBondContact O-CG 3.21Å; N313-Q317 PolarHBondContact O-N 3.14Å |
| 314 | N | 95.7 | Very high | 95.1 | Very high | 30 Ų | 30 | 42.8 Ų | 42.8 | 16% | 0.16 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.5 | -36.9 | 178.1 | -69.7 | -17.1 | 0 | 0 | 0 | 111.8 | A158 L162 W260 N311 C312 | A158-N314 WeakPolarHBondContact CB-O 3.49Å; L162-N314 HydrophobicContact CD1-CB 4.06Å; W260-N314 HydrophobicContact CH2-CB 3.79Å; W260-N314 HydrophobicContact CZ3-CB 3.91Å; N311-N314 WeakPolarHBondContact O-CB 3.5Å; N311-N314 PolarHBondContact O-N 3.05Å; C312-N314 PolarHBondContact O-N 3.09Å; C312-N314 VanDerWaalsContact O-N 3.1Å |
| 315 | I | 96.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -76.9 | -44.6 | 176.2 | -61.5 | -70.8 | 0 | 0 | 0 | 109.7 | A158 F307 M309 C312 N313 Q317 A318 F319 Y340 | A158-I315 HydrophobicContact CB-CD1 3.43Å; A158-I315 VanDerWaalsContact CB-CD1 3.43Å; A158-I315 HydrophobicContact CB-CG1 4.33Å; F307-I315 HydrophobicContact CE1-CD1 4.07Å; F307-I315 HydrophobicContact CE1-CG1 4.24Å; F307-I315 HydrophobicContact CZ-CD1 4.07Å; M309-I315 HydrophobicContact CG-CG1 3.73Å; M309-I315 HydrophobicContact SD-CB 4.02Å; M309-I315 HydrophobicContact SD-CG1 3.61Å; M309-I315 HydrophobicContact SD-CG2 4.39Å; C312-I315 PolarHBondContact O-N 3.19Å; N313-I315 VanDerWaalsContact C-N 3.33Å; I315-Q317 VanDerWaalsContact C-N 3.29Å; I315-Q317 PolarHBondContact O-N 2.86Å; I315-A318 WeakPolarHBondContact O-CB 3.49Å; I315-A318 PolarHBondContact O-N 3.4Å; I315-F319 HydrophobicContact CG2-CD2 3.88Å; I315-F319 HydrophobicContact CG2-CE2 4.33Å; I315-F319 WeakPolarHBondContact O-CD2 3.44Å; I315-F319 PolarHBondContact O-N 3.16Å; I315-Y340 HydrophobicContact CG2-CD1 4.48Å |
| 316 | E | 94.7 | Very high | 94.7 | Very high | 52 Ų | 52 | 52.5 Ų | 52.5 | 24% | 0.243 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.2 | -43.9 | 176.7 | -64.4 | -168.5 | 155.8 | 0 | 0 | 112.3 | C312 A318 F319 S320 N339 Y340 | C312-E316 PolarHBondContact O-N 3.45Å; E316-A318 PolarHBondContact O-N 3.21Å; E316-A318 VanDerWaalsContact O-N 3.14Å; E316-F319 PolarHBondContact O-N 3.29Å; E316-F319 VanDerWaalsContact O-N 3.16Å; E316-S320 WeakPolarHBondContact O-CA 3.35Å; E316-S320 WeakPolarHBondContact O-CB 3.49Å; E316-S320 PolarHBondContact O-N 3.38Å; E316-N339 HydrophobicContact CG-CB 4.08Å; E316-Y340 HydrophobicContact CG-CD1 3.86Å; E316-Y340 HydrophobicContact CG-CE1 3.35Å; E316-Y340 VanDerWaalsContact OE1-CE1 3.26Å; E316-Y340 WeakPolarHBondContact OE1-CE1 3.33Å |
| 317 | Q | 92.2 | Very high | 94.4 | Very high | 96 Ų | 96 | 55.1 Ų | 55.1 | 45% | 0.449 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.5 | -19.9 | 178.9 | -75.5 | 178.4 | 31.8 | 0 | 0 | 113.9 | N313 I315 | N313-Q317 WeakPolarHBondContact O-CB 3.28Å; N313-Q317 WeakPolarHBondContact O-CG 3.21Å; N313-Q317 PolarHBondContact O-N 3.14Å; I315-Q317 VanDerWaalsContact C-N 3.29Å; I315-Q317 PolarHBondContact O-N 2.86Å |
| 318 | A | 92.5 | Very high | 94.2 | Very high | 32 Ų | 32 | 56.6 Ų | 56.6 | 26% | 0.264 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -88.2 | -29.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | A158 K161 I315 E316 | A158-A318 HydrophobicContact CB-CB 4.15Å; K161-A318 HydrophobicContact CB-CB 4.21Å; K161-A318 HydrophobicContact CG-CB 4.42Å; I315-A318 WeakPolarHBondContact O-CB 3.49Å; I315-A318 PolarHBondContact O-N 3.4Å; E316-A318 PolarHBondContact O-N 3.21Å; E316-A318 VanDerWaalsContact O-N 3.14Å |
| 319 | F | 92.3 | Very high | 94 | Very high | 47 Ų | 47 | 66.8 Ų | 66.8 | 21% | 0.206 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -123.4 | -13.8 | -168.2 | -66.6 | -74.6 | 0 | 0 | 0 | 115.8 | L154 S157 I315 E316 V321 V342 | L154-F319 HydrophobicContact CB-CE2 4.3Å; L154-F319 HydrophobicContact CD2-CD1 4.42Å; L154-F319 HydrophobicContact CD2-CD2 4.04Å; L154-F319 HydrophobicContact CD2-CE1 3.9Å; L154-F319 HydrophobicContact CD2-CE2 3.48Å; L154-F319 VanDerWaalsContact CD2-CE2 3.48Å; L154-F319 HydrophobicContact CD2-CG 4.49Å; L154-F319 HydrophobicContact CD2-CZ 3.4Å; S157-F319 VanDerWaalsContact CB-CZ 3.5Å; I315-F319 HydrophobicContact CG2-CD2 3.88Å; I315-F319 HydrophobicContact CG2-CE2 4.33Å; I315-F319 WeakPolarHBondContact O-CD2 3.44Å; I315-F319 PolarHBondContact O-N 3.16Å; E316-F319 PolarHBondContact O-N 3.29Å; E316-F319 VanDerWaalsContact O-N 3.16Å; F319-V321 PolarHBondContact O-N 3.06Å; F319-V342 HydrophobicContact CE1-CG2 4.29Å |
| 320 | S | 90.6 | Very high | 93.6 | Very high | 46 Ų | 46 | 71.6 Ų | 71.6 | 32% | 0.322 | 36% | 0.361 | S | S | . | . | trans | -67.1 | 126.4 | -173.7 | -173.7 | 0 | 0 | 0 | 0 | 112.1 | E316 N322 N339 | E316-S320 WeakPolarHBondContact O-CA 3.35Å; E316-S320 WeakPolarHBondContact O-CB 3.49Å; E316-S320 PolarHBondContact O-N 3.38Å; S320-N322 PolarHBondContact OG-ND2 3.2Å; S320-N322 PolarHBondContact OG-OD1 2.96Å; S320-N339 WeakPolarHBondContact CA-OD1 3.2Å; S320-N339 PolarHBondContact OG-OD1 3.26Å | ||
| 321 | V | 89 | Confident | 93.3 | Very high | 109 Ų | 109 | 73.2 Ų | 73.2 | 66% | 0.661 | 37% | 0.369 | S | S | * | . | trans | -133.3 | 120.9 | 169.4 | -175.6 | 0 | 0 | 0 | 0 | 106.5 | F319 P323 | F319-V321 PolarHBondContact O-N 3.06Å; V321-P323 WeakPolarHBondContact O-CD 3.49Å | ||
| 322 | N | 87.4 | Confident | 92.8 | Very high | 103 Ų | 103 | 74.7 Ų | 74.7 | 55% | 0.551 | 40% | 0.396 | S | S | * | . | trans | -116.1 | 70.4 | -169.7 | -63.5 | -48.2 | 0 | 0 | 0 | 111.8 | S320 | S320-N322 PolarHBondContact OG-ND2 3.2Å; S320-N322 PolarHBondContact OG-OD1 2.96Å | ||
| 323 | P | 93 | Very high | 92.5 | Very high | 34 Ų | 34 | 80.5 Ų | 80.5 | 22% | 0.221 | 43% | 0.426 | C | S | . | . | trans | -70.7 | 149.3 | 173.8 | 33.7 | -35.2 | 0 | 0 | 0 | 110.5 | V321 Y325 L326 | V321-P323 WeakPolarHBondContact O-CD 3.49Å; P323-Y325 HydrophobicContact CB-CD1 3.75Å; P323-Y325 HydrophobicContact CB-CE1 3.36Å; P323-Y325 HydrophobicContact CG-CD1 4.13Å; P323-Y325 HydrophobicContact CG-CE1 3.57Å; P323-Y325 HydrophobicContact CG-CE2 4.04Å; P323-Y325 VanDerWaalsContact CG-CZ 3.49Å; P323-Y325 PolarHBondContact O-N 3.47Å; P323-Y325 VanDerWaalsContact O-N 3.12Å; P323-L326 HydrophobicContact CG-CB 4.22Å; P323-L326 HydrophobicContact CG-CD1 3.62Å; P323-L326 HydrophobicContact CG-CG 3.81Å; P323-L326 PolarHBondContact O-N 3.34Å | ||
| 324 | E | 93.4 | Very high | 92.3 | Very high | 181 Ų | 181 | 79 Ų | 79 | 85% | 0.846 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -57.1 | -33 | -174.4 | -171.5 | 172.7 | -172.2 | 0 | 0 | 113.4 | L326 A327 | E324-L326 PolarHBondContact O-N 2.93Å; E324-A327 VanDerWaalsContact O-CB 3.31Å; E324-A327 WeakPolarHBondContact O-CB 3.45Å; E324-A327 PolarHBondContact O-N 3.33Å; E324-A327 VanDerWaalsContact O-N 3.09Å |
| 325 | Y | 93.5 | Very high | 92.2 | Very high | 186 Ų | 186 | 78.2 Ų | 78.2 | 73% | 0.729 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -70.7 | -10.4 | 179.2 | 67.7 | -99.2 | 0 | 0 | 0 | 114.6 | P323 | P323-Y325 HydrophobicContact CB-CD1 3.75Å; P323-Y325 HydrophobicContact CB-CE1 3.36Å; P323-Y325 HydrophobicContact CG-CD1 4.13Å; P323-Y325 HydrophobicContact CG-CE1 3.57Å; P323-Y325 HydrophobicContact CG-CE2 4.04Å; P323-Y325 VanDerWaalsContact CG-CZ 3.49Å; P323-Y325 PolarHBondContact O-N 3.47Å; P323-Y325 VanDerWaalsContact O-N 3.12Å |
| 326 | L | 94.2 | Very high | 92.2 | Very high | 17 Ų | 17 | 78.6 Ų | 78.6 | 9% | 0.089 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -102.2 | -4.9 | 172.4 | -61.9 | 179.2 | 0 | 0 | 0 | 112.5 | F103 P323 E324 M338 L344 | F103-L326 HydrophobicContact CD2-CD2 3.99Å; F103-L326 HydrophobicContact CE2-CD2 3.64Å; F103-L326 HydrophobicContact CZ-CD2 4.4Å; P323-L326 HydrophobicContact CG-CB 4.22Å; P323-L326 HydrophobicContact CG-CD1 3.62Å; P323-L326 HydrophobicContact CG-CG 3.81Å; P323-L326 PolarHBondContact O-N 3.34Å; E324-L326 PolarHBondContact O-N 2.93Å; L326-M338 HydrophobicContact CB-CE 4.37Å; L326-M338 HydrophobicContact CD1-CE 4.31Å; L326-M338 HydrophobicContact CD1-SD 3.77Å; L326-L344 HydrophobicContact CD1-CD1 3.8Å; L326-L344 HydrophobicContact CD1-CD2 4.48Å; L326-L344 HydrophobicContact CD2-CD1 4.49Å |
| 327 | A | 92.8 | Very high | 92.3 | Very high | 56 Ų | 56 | 76.1 Ų | 76.1 | 46% | 0.463 | 41% | 0.406 | S | S | . | . | trans | -69.6 | 145.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E324 | E324-A327 VanDerWaalsContact O-CB 3.31Å; E324-A327 WeakPolarHBondContact O-CB 3.45Å; E324-A327 PolarHBondContact O-N 3.33Å; E324-A327 VanDerWaalsContact O-N 3.09Å | ||
| 328 | H | 94.6 | Very high | 92.4 | Very high | 31 Ų | 31 | 72.2 Ų | 72.2 | 14% | 0.144 | 39% | 0.388 | C | S | . | . | trans | -151.4 | 159.1 | 175.6 | 65.9 | 91.9 | 0 | 0 | 0 | 112.1 | A106 K330 Q331 D336 | A106-H328 HydrophobicContact CB-CB 3.62Å; A106-H328 VanDerWaalsContact CB-CG 3.47Å; H328-K330 VanDerWaalsContact CE1-C 3.41Å; H328-K330 PolarHBondContact ND1-N 3.4Å; H328-K330 PolarHBondContact O-N 2.99Å; H328-Q331 PolarHBondContact CE1-N 3.1Å; H328-Q331 VanDerWaalsContact CE1-N 3.31Å; H328-Q331 PolarHBondContact ND1-N 3.04Å; H328-Q331 WeakPolarHBondContact NE2-CG 3.38Å; H328-Q331 WeakPolarHBondContact O-CG 3.26Å; H328-Q331 PolarHBondContact O-N 2.69Å; H328-D336 IonicContact CE1-OD1 2.71Å; H328-D336 IonicContact NE2-OD1 2.96Å; H328-D336 PolarHBondContact NE2-OD1 2.87Å; H328-D336 VanDerWaalsContact NE2-OD1 3.09Å; H328-D336 IonicContact NE2-OD2 3.7Å; H328-D336 PolarHBondContact NE2-OD2 3.4Å | ||
| 329 | K | 93.7 | Very high | 92.6 | Very high | 215 Ų | 215 | 71.2 Ų | 71.2 | 94% | 0.935 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -4.3 | -173.6 | -62.6 | -176.6 | 179.4 | 179.2 | 0 | 115.8 | ||
| 330 | K | 92.2 | Very high | 92.8 | Very high | 102 Ų | 102 | 69.4 Ų | 69.4 | 44% | 0.443 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | 8.4 | -174.4 | -59.9 | -68.7 | -174.9 | 177.7 | 0 | 112.6 | W105 H328 G332 L333 | W105-K330 HydrophobicContact CE3-CB 3.93Å; W105-K330 HydrophobicContact CE3-CG 4.1Å; W105-K330 HydrophobicContact CH2-CG 4.25Å; W105-K330 HydrophobicContact CZ3-CB 4.03Å; W105-K330 HydrophobicContact CZ3-CG 3.65Å; H328-K330 VanDerWaalsContact CE1-C 3.41Å; H328-K330 PolarHBondContact ND1-N 3.4Å; H328-K330 PolarHBondContact O-N 2.99Å; K330-G332 PolarHBondContact O-N 3.37Å; K330-L333 HydrophobicContact CB-CD1 4.33Å; K330-L333 HydrophobicContact CD-CD1 3.65Å; K330-L333 WeakPolarHBondContact O-CB 3.25Å; K330-L333 PolarHBondContact O-N 3.34Å |
| 331 | Q | 90 | Very high | 93 | Very high | 76 Ų | 76 | 67.6 Ų | 67.6 | 36% | 0.355 | 36% | 0.357 | S | S | . | . | B | Isolated β-bridge | trans | -56.2 | 138.4 | 177.5 | -78 | 178.5 | -52.4 | 0 | 0 | 110.9 | H328 L333 | H328-Q331 PolarHBondContact CE1-N 3.1Å; H328-Q331 VanDerWaalsContact CE1-N 3.31Å; H328-Q331 PolarHBondContact ND1-N 3.04Å; H328-Q331 WeakPolarHBondContact NE2-CG 3.38Å; H328-Q331 WeakPolarHBondContact O-CG 3.26Å; H328-Q331 PolarHBondContact O-N 2.69Å; Q331-L333 VanDerWaalsContact C-N 3.26Å; Q331-L333 PolarHBondContact O-N 3.01Å |
| 332 | G | 88.5 | Confident | 93.4 | Very high | 79 Ų | 79 | 66.8 Ų | 66.8 | 81% | 0.814 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | -5.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | K330 | K330-G332 PolarHBondContact O-N 3.37Š|
| 333 | L | 91.3 | Very high | 93.7 | Very high | 126 Ų | 126 | 65.5 Ų | 65.5 | 66% | 0.66 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -32.3 | 174.1 | -61.9 | 180 | 0 | 0 | 0 | 112.7 | K330 Q331 | K330-L333 HydrophobicContact CB-CD1 4.33Å; K330-L333 HydrophobicContact CD-CD1 3.65Å; K330-L333 WeakPolarHBondContact O-CB 3.25Å; K330-L333 PolarHBondContact O-N 3.34Å; Q331-L333 VanDerWaalsContact C-N 3.26Å; Q331-L333 PolarHBondContact O-N 3.01Å |
| 334 | V | 91.2 | Very high | 93.8 | Very high | 41 Ų | 41 | 67.7 Ų | 67.7 | 25% | 0.248 | 36% | 0.36 | C | S | . | . | B | Isolated β-bridge | trans | -144.6 | 159 | 179.9 | -70.7 | 0 | 0 | 0 | 0 | 108 | W105 D336 | W105-V334 HydrophobicContact CB-CG2 3.58Å; W105-V334 VanDerWaalsContact CD1-CG2 3.48Å; W105-V334 HydrophobicContact CD2-CG2 4.15Å; W105-V334 HydrophobicContact CG-CG2 3.44Å; W105-V334 VanDerWaalsContact CG-CG2 3.44Å; V334-D336 PolarHBondContact O-N 3.37Å |
| 335 | P | 92.7 | Very high | 93.9 | Very high | 13 Ų | 13 | 60.8 Ų | 60.8 | 8% | 0.084 | 34% | 0.338 | C | S | . | . | trans | -61.4 | 135.2 | -179.2 | -22.4 | 33.1 | 0 | 0 | 0 | 112.9 | T112 M116 F134 F337 Y340 | T112-P335 WeakPolarHBondContact CG2-O 3.37Å; M116-P335 HydrophobicContact CE-CG 4.41Å; M116-P335 HydrophobicContact SD-CG 4.28Å; F134-P335 HydrophobicContact CD1-CG 4.26Å; F134-P335 HydrophobicContact CE1-CG 3.52Å; F134-P335 HydrophobicContact CZ-CG 4.1Å; P335-F337 HydrophobicContact CB-CD1 4.37Å; P335-F337 HydrophobicContact CB-CE1 4.25Å; P335-Y340 HydrophobicContact CB-CE2 3.72Å; P335-Y340 HydrophobicContact CG-CE2 4.19Å | ||
| 336 | D | 96.1 | Very high | 94.1 | Very high | 8 Ų | 8 | 52.3 Ų | 52.3 | 4% | 0.043 | 30% | 0.304 | C | S | . | . | trans | -92.6 | 99.3 | 157.9 | -73.2 | -34.7 | 0 | 0 | 0 | 108 | T104 W105 H328 V334 M338 N339 | T104-D336 WeakPolarHBondContact CA-OD1 3.47Å; T104-D336 VanDerWaalsContact CB-OD1 3.25Å; T104-D336 WeakPolarHBondContact CB-OD1 3.45Å; T104-D336 HydrophobicContact CG2-CB 4.21Å; W105-D336 PolarHBondContact N-OD1 3.14Å; H328-D336 IonicContact CE1-OD1 2.71Å; H328-D336 IonicContact NE2-OD1 2.96Å; H328-D336 PolarHBondContact NE2-OD1 2.87Å; H328-D336 VanDerWaalsContact NE2-OD1 3.09Å; H328-D336 IonicContact NE2-OD2 3.7Å; H328-D336 PolarHBondContact NE2-OD2 3.4Å; V334-D336 PolarHBondContact O-N 3.37Å; D336-M338 HydrophobicContact CB-CE 4.23Å; D336-M338 HydrophobicContact CB-CG 4.22Å; D336-M338 PolarHBondContact O-N 2.7Å; D336-N339 WeakPolarHBondContact O-CB 3.27Å; D336-N339 PolarHBondContact O-N 2.58Å | ||
| 337 | F | 96.5 | Very high | 94.2 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 0% | 0.004 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -60.3 | -15.7 | -171 | -80.3 | -52.4 | 0 | 0 | 0 | 114.8 | F103 T112 E115 M116 F134 G142 V143 P335 N339 Y340 Q341 | F103-F337 PolarHBondContact O-N 3.08Å; T112-F337 HydrophobicContact CG2-CD2 3.94Å; T112-F337 HydrophobicContact CG2-CE2 3.74Å; E115-F337 HydrophobicContact CB-CE2 3.87Å; E115-F337 HydrophobicContact CB-CZ 4.31Å; E115-F337 HydrophobicContact CG-CE2 4.04Å; E115-F337 HydrophobicContact CG-CZ 4.13Å; M116-F337 HydrophobicContact CG-CE2 4.32Å; M116-F337 HydrophobicContact CG-CZ 3.94Å; F134-F337 HydrophobicContact CE2-CZ 4.43Å; F134-F337 HydrophobicContact CZ-CE1 4.07Å; F134-F337 HydrophobicContact CZ-CZ 4.12Å; G142-F337 WeakPolarHBondContact O-CE1 3.36Å; V143-F337 HydrophobicContact CB-CD1 3.91Å; V143-F337 HydrophobicContact CB-CE1 3.86Å; V143-F337 HydrophobicContact CG2-CD1 3.63Å; V143-F337 HydrophobicContact CG2-CE1 4.02Å; V143-F337 HydrophobicContact CG2-CG 4.29Å; P335-F337 HydrophobicContact CB-CD1 4.37Å; P335-F337 HydrophobicContact CB-CE1 4.25Å; F337-N339 PolarHBondContact O-N 2.76Å; F337-Y340 AromaticContact CD1-CD2 3.51Å; F337-Y340 HydrophobicContact CD1-CD2 3.51Å; F337-Y340 HydrophobicContact CD1-CE2 4.06Å; F337-Y340 HydrophobicContact CD1-CG 4.29Å; F337-Y340 AromaticContact CE1-CD2 3.73Å; F337-Y340 HydrophobicContact CE1-CD2 3.73Å; F337-Y340 AromaticContact CE1-CE2 3.97Å; F337-Y340 HydrophobicContact CE1-CE2 3.97Å; F337-Y340 PolarHBondContact O-N 2.8Å; F337-Q341 WeakPolarHBondContact O-CG 3.37Å |
| 338 | M | 95.4 | Very high | 94.5 | Very high | 13 Ų | 13 | 52.4 Ų | 52.4 | 6% | 0.064 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -54.1 | -32 | 167 | 67.9 | -176.8 | -172 | 0 | 0 | 112.9 | F103 T104 L326 D336 Y340 L344 | F103-M338 HydrophobicContact CB-CB 4.21Å; F103-M338 VanDerWaalsContact O-CB 3.29Å; F103-M338 WeakPolarHBondContact O-CB 3.13Å; F103-M338 WeakPolarHBondContact O-CG 3.49Å; F103-M338 PolarHBondContact O-N 3.38Å; T104-M338 HydrophobicContact CG2-CE 3.9Å; T104-M338 HydrophobicContact CG2-SD 3.79Å; L326-M338 HydrophobicContact CB-CE 4.37Å; L326-M338 HydrophobicContact CD1-CE 4.31Å; L326-M338 HydrophobicContact CD1-SD 3.77Å; D336-M338 HydrophobicContact CB-CE 4.23Å; D336-M338 HydrophobicContact CB-CG 4.22Å; D336-M338 PolarHBondContact O-N 2.7Å; M338-Y340 PolarHBondContact O-N 3.09Å; M338-L344 HydrophobicContact CB-CD1 3.88Å; M338-L344 HydrophobicContact CG-CD1 4.47Å; M338-L344 HydrophobicContact SD-CD1 3.81Å |
| 339 | N | 95.6 | Very high | 94.6 | Very high | 11 Ų | 11 | 52.2 Ų | 52.2 | 6% | 0.059 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -78.5 | -8.3 | 179.5 | -63.8 | -37.5 | 0 | 0 | 0 | 112.8 | E316 S320 D336 F337 | E316-N339 HydrophobicContact CG-CB 4.08Å; S320-N339 WeakPolarHBondContact CA-OD1 3.2Å; S320-N339 PolarHBondContact OG-OD1 3.26Å; D336-N339 WeakPolarHBondContact O-CB 3.27Å; D336-N339 PolarHBondContact O-N 2.58Å; F337-N339 PolarHBondContact O-N 2.76Å |
| 340 | Y | 96.6 | Very high | 94.9 | Very high | 10 Ų | 10 | 42 Ų | 42 | 4% | 0.039 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -108.4 | 15.1 | -179.9 | -60.5 | -7.2 | 0 | 0 | 0 | 112.8 | V143 Q145 L154 M309 C312 I315 E316 P335 F337 M338 | V143-Y340 HydrophobicContact CB-CD2 4.16Å; V143-Y340 HydrophobicContact CG1-CD2 4.42Å; Q145-Y340 PolarHBondContact NE2-O 2.96Å; L154-Y340 WeakPolarHBondContact CD1-O 3.39Å; M309-Y340 HydrophobicContact CE-CD2 4.05Å; M309-Y340 HydrophobicContact CE-CE2 4.33Å; M309-Y340 HydrophobicContact SD-CG 4.49Å; C312-Y340 HydrophobicContact CB-CE1 3.92Å; C312-Y340 HydrophobicContact CB-CE2 4.32Å; C312-Y340 VanDerWaalsContact CB-OH 3.23Å; C312-Y340 WeakPolarHBondContact CB-OH 3.43Å; I315-Y340 HydrophobicContact CG2-CD1 4.48Å; E316-Y340 HydrophobicContact CG-CD1 3.86Å; E316-Y340 HydrophobicContact CG-CE1 3.35Å; E316-Y340 VanDerWaalsContact OE1-CE1 3.26Å; E316-Y340 WeakPolarHBondContact OE1-CE1 3.33Å; P335-Y340 HydrophobicContact CB-CE2 3.72Å; P335-Y340 HydrophobicContact CG-CE2 4.19Å; F337-Y340 AromaticContact CD1-CD2 3.51Å; F337-Y340 HydrophobicContact CD1-CD2 3.51Å; F337-Y340 HydrophobicContact CD1-CE2 4.06Å; F337-Y340 HydrophobicContact CD1-CG 4.29Å; F337-Y340 AromaticContact CE1-CD2 3.73Å; F337-Y340 HydrophobicContact CE1-CD2 3.73Å; F337-Y340 AromaticContact CE1-CE2 3.97Å; F337-Y340 HydrophobicContact CE1-CE2 3.97Å; F337-Y340 PolarHBondContact O-N 2.8Å; M338-Y340 PolarHBondContact O-N 3.09Å |
| 341 | Q | 96.1 | Very high | 95.1 | Very high | 8 Ų | 8 | 37.5 Ų | 37.5 | 4% | 0.037 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -152.6 | 169.4 | -178.9 | 65.1 | 179 | 14.1 | 0 | 0 | 110.9 | F337 S343 L344 R346 | F337-Q341 WeakPolarHBondContact O-CG 3.37Å; Q341-S343 VanDerWaalsContact CD-O 3.25Å; Q341-S343 WeakPolarHBondContact CG-O 3.48Å; Q341-S343 PolarHBondContact NE2-O 3.32Å; Q341-L344 PolarHBondContact NE2-O 2.73Å; Q341-R346 VanDerWaalsContact CD-NE 3.32Å; Q341-R346 VanDerWaalsContact OE1-CZ 3.24Å |
| 342 | V | 95.8 | Very high | 95.6 | Very high | 92 Ų | 92 | 33.9 Ų | 33.9 | 56% | 0.558 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -74.9 | -40.5 | 176.7 | 177.9 | 0 | 0 | 0 | 0 | 111.6 | L154 F319 | L154-V342 HydrophobicContact CD2-CG2 3.87Å; F319-V342 HydrophobicContact CE1-CG2 4.29Å |
| 343 | S | 94.7 | Very high | 96 | Very high | 76 Ų | 76 | 30.3 Ų | 30.3 | 53% | 0.531 | 17% | 0.172 | S | C | . | . | trans | -83.5 | 149.1 | -173.8 | -51.7 | 0 | 0 | 0 | 0 | 112.3 | Q341 | Q341-S343 VanDerWaalsContact CD-O 3.25Å; Q341-S343 WeakPolarHBondContact CG-O 3.48Å; Q341-S343 PolarHBondContact NE2-O 3.32Å | ||
| 344 | L | 95.7 | Very high | 96.4 | Very high | 79 Ų | 79 | 27.6 Ų | 27.6 | 41% | 0.414 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -72 | -62.2 | 169.9 | 179.2 | 63.4 | 0 | 0 | 0 | 110.9 | F103 L326 M338 Q341 | F103-L344 HydrophobicContact CB-CD1 3.83Å; F103-L344 HydrophobicContact CB-CG 4.19Å; F103-L344 WeakPolarHBondContact CB-O 3.21Å; F103-L344 HydrophobicContact CD2-CD1 4.29Å; F103-L344 HydrophobicContact CG-CD1 4.13Å; F103-L344 HydrophobicContact CG-CG 4.37Å; L326-L344 HydrophobicContact CD1-CD1 3.8Å; L326-L344 HydrophobicContact CD1-CD2 4.48Å; L326-L344 HydrophobicContact CD2-CD1 4.49Å; M338-L344 HydrophobicContact CB-CD1 3.88Å; M338-L344 HydrophobicContact CG-CD1 4.47Å; M338-L344 HydrophobicContact SD-CD1 3.81Å; Q341-L344 PolarHBondContact NE2-O 2.73Å |
| 345 | G | 94.9 | Very high | 96.8 | Very high | 37 Ų | 37 | 27.9 Ų | 27.9 | 38% | 0.381 | 15% | 0.151 | S | C | . | . | trans | -67.8 | 140.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 346 | R | 97.1 | Very high | 97 | Very high | 7 Ų | 7 | 27.2 Ų | 27.2 | 3% | 0.026 | 15% | 0.147 | C | C | . | . | trans | -147.1 | 141.4 | 172.6 | 45.2 | 167.6 | 36 | -125.1 | -5.9 | 111.9 | G102 E115 I144 Q341 | G102-R346 PolarHBondContact N-O 3.23Å; G102-R346 WeakPolarHBondContact O-CD 3.49Å; G102-R346 WeakPolarHBondContact O-CG 3.25Å; E115-R346 IonicContact OE1-CZ 3.64Å; E115-R346 IonicContact OE1-NH1 2.73Å; E115-R346 PolarHBondContact OE1-NH1 2.97Å; E115-R346 IonicContact OE1-NH2 3.18Å; E115-R346 IonicContact OE2-NH1 3.27Å; E115-R346 PolarHBondContact OE2-NH1 3.13Å; I144-R346 PolarHBondContact O-NH2 3.44Å; Q341-R346 VanDerWaalsContact CD-NE 3.32Å; Q341-R346 VanDerWaalsContact OE1-CZ 3.24Å | ||
| 347 | R | 97.2 | Very high | 97.2 | Very high | 61 Ų | 61 | 27.5 Ų | 27.5 | 23% | 0.23 | 15% | 0.148 | C | C | . | . | trans | -88.3 | 172.6 | -179.7 | 73 | -171.1 | -164.2 | 97.1 | -7.1 | 112.2 | D92 D303 R349 | D92-R347 IonicContact OD1-CZ 3.73Å; D92-R347 IonicContact OD1-NH1 2.72Å; D92-R347 PolarHBondContact OD1-NH1 2.91Å; D92-R347 IonicContact OD1-NH2 2.73Å; D92-R347 PolarHBondContact OD1-NH2 3.5Å; D92-R347 IonicContact OD2-NH2 3.03Å; D303-R347 IonicContact OD1-CZ 3.01Å; D303-R347 VanDerWaalsContact OD1-CZ 3.27Å; D303-R347 IonicContact OD1-NE 3.31Å; D303-R347 PolarHBondContact OD1-NE 2.78Å; D303-R347 IonicContact OD1-NH2 3.29Å; D303-R347 PolarHBondContact OD1-NH2 3.45Å; R347-R349 HydrophobicContact CG-CG 3.7Å; R347-R349 PolarHBondContact O-N 3.16Å | ||
| 348 | F | 98.2 | Very high | 97.3 | Very high | 14 Ų | 14 | 35.1 Ų | 35.1 | 6% | 0.061 | 18% | 0.177 | C | C | . | . | trans | -79.5 | 54.5 | -175.1 | -155.1 | 173.4 | 0 | 0 | 0 | 114 | I98 A110 Y111 L114 A350 L351 | I98-F348 HydrophobicContact CD1-CD1 4.24Å; I98-F348 HydrophobicContact CD1-CE1 4.5Å; A110-F348 HydrophobicContact CB-CZ 4.39Å; A110-F348 WeakPolarHBondContact O-CE2 3.32Å; A110-F348 WeakPolarHBondContact O-CZ 3.25Å; Y111-F348 HydrophobicContact CD1-CB 3.87Å; Y111-F348 HydrophobicContact CD1-CD2 4.4Å; Y111-F348 HydrophobicContact CD1-CG 4.1Å; Y111-F348 HydrophobicContact CD2-CB 4.21Å; Y111-F348 AromaticContact CD2-CD1 3.55Å; Y111-F348 HydrophobicContact CD2-CD1 3.55Å; Y111-F348 HydrophobicContact CD2-CD2 4.01Å; Y111-F348 AromaticContact CD2-CE1 3.8Å; Y111-F348 HydrophobicContact CD2-CE1 3.8Å; Y111-F348 HydrophobicContact CD2-CE2 4.22Å; Y111-F348 AromaticContact CD2-CG 3.66Å; Y111-F348 HydrophobicContact CD2-CG 3.66Å; Y111-F348 HydrophobicContact CD2-CZ 4.13Å; Y111-F348 HydrophobicContact CE1-CB 3.54Å; Y111-F348 HydrophobicContact CE1-CG 4.09Å; Y111-F348 HydrophobicContact CE2-CB 3.93Å; Y111-F348 AromaticContact CE2-CD1 3.32Å; Y111-F348 HydrophobicContact CE2-CD1 3.32Å; Y111-F348 HydrophobicContact CE2-CD2 4.47Å; Y111-F348 AromaticContact CE2-CE1 3.87Å; Y111-F348 HydrophobicContact CE2-CE1 3.87Å; Y111-F348 AromaticContact CE2-CG 3.68Å; Y111-F348 HydrophobicContact CE2-CG 3.68Å; Y111-F348 HydrophobicContact CG-CB 4.2Å; Y111-F348 HydrophobicContact CG-CD1 4.27Å; Y111-F348 AromaticContact CG-CD2 3.98Å; Y111-F348 HydrophobicContact CG-CD2 3.98Å; Y111-F348 HydrophobicContact CG-CE2 4.41Å; Y111-F348 AromaticContact CG-CG 3.9Å; Y111-F348 HydrophobicContact CG-CG 3.9Å; Y111-F348 AromaticContact CZ-CD1 3.84Å; Y111-F348 AromaticContact CZ-CG 3.88Å; L114-F348 HydrophobicContact CB-CE2 3.92Å; L114-F348 HydrophobicContact CB-CZ 4.15Å; L114-F348 HydrophobicContact CD2-CE2 3.57Å; L114-F348 HydrophobicContact CD2-CZ 3.57Å; L114-F348 HydrophobicContact CG-CE2 4.25Å; L114-F348 HydrophobicContact CG-CZ 4.47Å; F348-A350 HydrophobicContact CD2-CB 4.4Å; F348-A350 HydrophobicContact CE2-CB 4.33Å; F348-A350 PolarHBondContact O-N 2.9Å; F348-A350 VanDerWaalsContact O-N 3.14Å; F348-L351 HydrophobicContact CD1-CB 4.26Å; F348-L351 HydrophobicContact CD1-CD2 3.97Å; F348-L351 HydrophobicContact CD2-CB 4.14Å; F348-L351 HydrophobicContact CE1-CD1 4.41Å; F348-L351 HydrophobicContact CE1-CD2 4.33Å; F348-L351 HydrophobicContact CE2-CB 4.44Å; F348-L351 HydrophobicContact CG-CB 4.05Å; F348-L351 HydrophobicContact CG-CD2 4.44Å; F348-L351 VanDerWaalsContact O-CB 3.26Å; F348-L351 WeakPolarHBondContact O-CB 3.37Å; F348-L351 PolarHBondContact O-N 3.3Å | ||
| 349 | R | 98.4 | Very high | 97.4 | Very high | 28 Ų | 28 | 39.1 Ų | 39.1 | 11% | 0.106 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -32.3 | -173.4 | -61.5 | -176.5 | -178 | 107.3 | -2.3 | 113.9 | I144 D303 R347 L351 K352 | I144-R349 HydrophobicContact CB-CB 4.27Å; I144-R349 HydrophobicContact CD1-CB 4.27Å; I144-R349 HydrophobicContact CG2-CB 3.81Å; I144-R349 HydrophobicContact CG2-CG 4.35Å; I144-R349 PolarHBondContact O-NH1 3.33Å; I144-R349 VanDerWaalsContact O-NH1 3.12Å; D303-R349 IonicContact OD1-NE 2.67Å; D303-R349 IonicContact OD2-CZ 3.17Å; D303-R349 VanDerWaalsContact OD2-CZ 3.31Å; D303-R349 IonicContact OD2-NE 2.81Å; D303-R349 PolarHBondContact OD2-NE 3.09Å; D303-R349 IonicContact OD2-NH2 3.69Å; D303-R349 PolarHBondContact OD2-NH2 3.25Å; R347-R349 HydrophobicContact CG-CG 3.7Å; R347-R349 PolarHBondContact O-N 3.16Å; R349-L351 PolarHBondContact O-N 3.21Å; R349-L351 VanDerWaalsContact O-N 3.16Å; R349-K352 WeakPolarHBondContact O-CG 3.41Å |
| 350 | A | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.8 | -24.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | L114 E115 M118 I144 F348 L353 W354 | L114-A350 HydrophobicContact CD2-CB 4.46Å; L114-A350 HydrophobicContact CG-CB 4.22Å; E115-A350 VanDerWaalsContact CA-CB 3.47Å; E115-A350 HydrophobicContact CB-CB 3.73Å; E115-A350 HydrophobicContact CG-CB 4.21Å; M118-A350 HydrophobicContact CB-CB 4.45Å; M118-A350 HydrophobicContact CG-CB 4.17Å; I144-A350 HydrophobicContact CD1-CB 4.05Å; F348-A350 HydrophobicContact CD2-CB 4.4Å; F348-A350 HydrophobicContact CE2-CB 4.33Å; F348-A350 PolarHBondContact O-N 2.9Å; F348-A350 VanDerWaalsContact O-N 3.14Å; A350-L353 PolarHBondContact O-N 2.75Å; A350-W354 WeakPolarHBondContact O-CB 3.34Å; A350-W354 PolarHBondContact O-N 3.1Å |
| 351 | L | 98 | Very high | 97.6 | Very high | 7 Ų | 7 | 43 Ų | 43 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.7 | -46.1 | -175 | -171.4 | 60.4 | 0 | 0 | 0 | 112.6 | G91 L94 L114 F348 R349 W354 F355 | G91-L351 WeakPolarHBondContact O-CD2 3.49Å; L94-L351 HydrophobicContact CB-CD2 3.8Å; L94-L351 HydrophobicContact CD2-CD1 4.39Å; L94-L351 HydrophobicContact CD2-CD2 3.86Å; L94-L351 HydrophobicContact CG-CD2 3.72Å; L114-L351 HydrophobicContact CD2-CD1 4.22Å; F348-L351 HydrophobicContact CD1-CB 4.26Å; F348-L351 HydrophobicContact CD1-CD2 3.97Å; F348-L351 HydrophobicContact CD2-CB 4.14Å; F348-L351 HydrophobicContact CE1-CD1 4.41Å; F348-L351 HydrophobicContact CE1-CD2 4.33Å; F348-L351 HydrophobicContact CE2-CB 4.44Å; F348-L351 HydrophobicContact CG-CB 4.05Å; F348-L351 HydrophobicContact CG-CD2 4.44Å; F348-L351 VanDerWaalsContact O-CB 3.26Å; F348-L351 WeakPolarHBondContact O-CB 3.37Å; F348-L351 PolarHBondContact O-N 3.3Å; R349-L351 PolarHBondContact O-N 3.21Å; R349-L351 VanDerWaalsContact O-N 3.16Å; L351-W354 HydrophobicContact CD1-CE3 4Å; L351-W354 HydrophobicContact CD1-CZ3 4.43Å; L351-W354 WeakPolarHBondContact O-CB 3.21Å; L351-W354 PolarHBondContact O-N 2.68Å; L351-F355 HydrophobicContact CD1-CD1 4.04Å; L351-F355 HydrophobicContact CD1-CE1 3.48Å; L351-F355 VanDerWaalsContact CD1-CE1 3.48Å; L351-F355 HydrophobicContact CD1-CZ 4.07Å; L351-F355 HydrophobicContact CG-CD1 4.43Å; L351-F355 HydrophobicContact CG-CE1 4.11Å; L351-F355 HydrophobicContact CG-CZ 4.43Å; L351-F355 VanDerWaalsContact O-CD1 3.28Å; L351-F355 WeakPolarHBondContact O-CD1 3.44Å; L351-F355 PolarHBondContact O-N 3.02Å |
| 352 | K | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.8 | -33.9 | 176.1 | 56.4 | 167.7 | 162.3 | -169.7 | 0 | 113.2 | S88 D92 V300 N301 F302 D303 R349 T356 | S88-K352 WeakPolarHBondContact O-CB 3.37Å; S88-K352 WeakPolarHBondContact OG-CB 3.43Å; D92-K352 WeakPolarHBondContact OD1-CD 3.36Å; D92-K352 IonicContact OD1-NZ 3.9Å; D92-K352 WeakPolarHBondContact OD2-CD 3.47Å; D92-K352 IonicContact OD2-NZ 2.65Å; D92-K352 PolarHBondContact OD2-NZ 2.85Å; V300-K352 HydrophobicContact CG1-CD 3.76Å; V300-K352 HydrophobicContact CG1-CG 3.97Å; N301-K352 WeakPolarHBondContact O-CE 3.41Å; N301-K352 PolarHBondContact O-NZ 3.22Å; F302-K352 PolarHBondContact O-NZ 3Å; D303-K352 WeakPolarHBondContact O-CE 3.42Å; D303-K352 PolarHBondContact O-NZ 2.99Å; R349-K352 WeakPolarHBondContact O-CG 3.41Å; K352-T356 VanDerWaalsContact O-CB 3.28Å; K352-T356 WeakPolarHBondContact O-CB 3.39Å; K352-T356 PolarHBondContact O-N 3.09Å; K352-T356 PolarHBondContact O-OG1 3.36Å |
| 353 | L | 98.7 | Very high | 97.8 | Very high | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.5 | -47.8 | 172.8 | 174.8 | 57.8 | 0 | 0 | 0 | 109.8 | M118 L122 I144 V300 A350 F355 T356 V357 | M118-L353 HydrophobicContact CB-CD2 3.82Å; M118-L353 HydrophobicContact CB-CG 4.29Å; M118-L353 HydrophobicContact CG-CD2 4.5Å; M118-L353 HydrophobicContact CG-CG 4.48Å; L122-L353 HydrophobicContact CD2-CD2 4.44Å; I144-L353 HydrophobicContact CD1-CD2 4.21Å; V300-L353 HydrophobicContact CG2-CD1 3.93Å; A350-L353 PolarHBondContact O-N 2.75Å; L353-F355 PolarHBondContact O-N 2.94Å; L353-T356 PolarHBondContact O-N 3.45Å; L353-V357 HydrophobicContact CD1-CG2 3.88Å; L353-V357 WeakPolarHBondContact O-CG2 3.47Å; L353-V357 PolarHBondContact O-N 3.37Å |
| 354 | W | 98.8 | Very high | 98 | Very high | 69 Ų | 69 | 45.4 Ų | 45.4 | 26% | 0.261 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58 | -48.3 | 176.8 | -173.6 | 53.8 | 0 | 0 | 0 | 112.2 | L114 M118 W121 A350 L351 V357 R358 | L114-W354 HydrophobicContact CD1-CB 4.37Å; L114-W354 HydrophobicContact CD1-CD2 4.05Å; L114-W354 HydrophobicContact CD1-CG 3.93Å; L114-W354 HydrophobicContact CD2-CB 4.26Å; L114-W354 HydrophobicContact CD2-CD2 4.31Å; L114-W354 HydrophobicContact CD2-CE3 4.21Å; L114-W354 HydrophobicContact CD2-CG 4.37Å; M118-W354 HydrophobicContact CE-CB 4.47Å; M118-W354 HydrophobicContact CE-CG 4.21Å; M118-W354 HydrophobicContact CG-CB 4.06Å; M118-W354 WeakPolarHBondContact SD-CA 3.41Å; M118-W354 HydrophobicContact SD-CB 3.53Å; M118-W354 VanDerWaalsContact SD-CB 3.53Å; M118-W354 HydrophobicContact SD-CG 3.86Å; W121-W354 AromaticContact CZ3-CD1 3.91Å; A350-W354 WeakPolarHBondContact O-CB 3.34Å; A350-W354 PolarHBondContact O-N 3.1Å; L351-W354 HydrophobicContact CD1-CE3 4Å; L351-W354 HydrophobicContact CD1-CZ3 4.43Å; L351-W354 WeakPolarHBondContact O-CB 3.21Å; L351-W354 PolarHBondContact O-N 2.68Å; W354-V357 PolarHBondContact O-N 3.42Å; W354-R358 VanDerWaalsContact NE1-CD 3.29Å; W354-R358 VanDerWaalsContact O-CB 3.31Å; W354-R358 WeakPolarHBondContact O-CB 3.22Å; W354-R358 VanDerWaalsContact O-CG 3.29Å; W354-R358 WeakPolarHBondContact O-CG 3.27Å; W354-R358 PolarHBondContact O-N 2.84Å |
| 355 | F | 98.7 | Very high | 98.1 | Very high | 47 Ų | 47 | 41.8 Ų | 41.8 | 21% | 0.206 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.1 | -46.9 | 178.9 | -81.6 | 29.5 | 0 | 0 | 0 | 111.2 | P87 I90 L94 L351 L353 R358 V359 | P87-F355 HydrophobicContact CB-CB 4.22Å; P87-F355 WeakPolarHBondContact O-CB 3.29Å; I90-F355 HydrophobicContact CB-CD2 4.43Å; I90-F355 HydrophobicContact CG2-CD2 4.21Å; I90-F355 HydrophobicContact CG2-CE2 3.95Å; L94-F355 HydrophobicContact CD2-CZ 3.98Å; L351-F355 HydrophobicContact CD1-CD1 4.04Å; L351-F355 HydrophobicContact CD1-CE1 3.48Å; L351-F355 VanDerWaalsContact CD1-CE1 3.48Å; L351-F355 HydrophobicContact CD1-CZ 4.07Å; L351-F355 HydrophobicContact CG-CD1 4.43Å; L351-F355 HydrophobicContact CG-CE1 4.11Å; L351-F355 HydrophobicContact CG-CZ 4.43Å; L351-F355 VanDerWaalsContact O-CD1 3.28Å; L351-F355 WeakPolarHBondContact O-CD1 3.44Å; L351-F355 PolarHBondContact O-N 3.02Å; L353-F355 PolarHBondContact O-N 2.94Å; F355-R358 PolarHBondContact O-N 3.19Å; F355-V359 WeakPolarHBondContact O-CB 3.16Å; F355-V359 WeakPolarHBondContact O-CG2 3.21Å; F355-V359 PolarHBondContact O-N 3.02Å |
| 356 | T | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60 | -50 | 179.9 | -58.1 | 0 | 0 | 0 | 0 | 111.1 | S88 M299 V300 K352 L353 R358 V359 Y360 L365 | S88-T356 WeakPolarHBondContact CB-OG1 3.31Å; M299-T356 HydrophobicContact CB-CG2 4.32Å; V300-T356 HydrophobicContact CG2-CG2 3.99Å; K352-T356 VanDerWaalsContact O-CB 3.28Å; K352-T356 WeakPolarHBondContact O-CB 3.39Å; K352-T356 PolarHBondContact O-N 3.09Å; K352-T356 PolarHBondContact O-OG1 3.36Å; L353-T356 PolarHBondContact O-N 3.45Å; T356-R358 PolarHBondContact O-N 3.03Å; T356-V359 PolarHBondContact O-N 2.92Å; T356-Y360 HydrophobicContact CG2-CD2 3.8Å; T356-Y360 HydrophobicContact CG2-CE2 4.12Å; T356-Y360 WeakPolarHBondContact O-CD2 3.41Å; T356-Y360 PolarHBondContact O-N 3.35Å; T356-Y360 VanDerWaalsContact O-N 3.07Å; T356-L365 HydrophobicContact CG2-CD2 4.27Å |
| 357 | V | 98.5 | Very high | 98.3 | Very high | 13 Ų | 13 | 50.5 Ų | 50.5 | 8% | 0.079 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.7 | -40.9 | 179.9 | 175 | 0 | 0 | 0 | 0 | 111.2 | W121 M125 L353 W354 G361 L365 | W121-V357 HydrophobicContact CE3-CG1 3.91Å; W121-V357 HydrophobicContact CZ3-CG1 4.1Å; M125-V357 HydrophobicContact CE-CG2 4.34Å; M125-V357 HydrophobicContact SD-CG1 4.14Å; M125-V357 HydrophobicContact SD-CG2 4.26Å; L353-V357 HydrophobicContact CD1-CG2 3.88Å; L353-V357 WeakPolarHBondContact O-CG2 3.47Å; L353-V357 PolarHBondContact O-N 3.37Å; W354-V357 PolarHBondContact O-N 3.42Å; V357-G361 WeakPolarHBondContact O-CA 3.47Å; V357-G361 PolarHBondContact O-N 3.02Å; V357-L365 HydrophobicContact CG2-CD1 4.18Å |
| 358 | R | 98.6 | Very high | 98.3 | Very high | 161 Ų | 161 | 49.3 Ų | 49.3 | 61% | 0.608 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -69.1 | -36.6 | 179.8 | -75.4 | -166.6 | 68.8 | -169.2 | 4.1 | 113.8 | W121 W354 F355 T356 | W121-R358 HydrophobicContact CH2-CG 4.45Å; W121-R358 HydrophobicContact CZ3-CG 4.22Å; W354-R358 VanDerWaalsContact NE1-CD 3.29Å; W354-R358 VanDerWaalsContact O-CB 3.31Å; W354-R358 WeakPolarHBondContact O-CB 3.22Å; W354-R358 VanDerWaalsContact O-CG 3.29Å; W354-R358 WeakPolarHBondContact O-CG 3.27Å; W354-R358 PolarHBondContact O-N 2.84Å; F355-R358 PolarHBondContact O-N 3.19Å; T356-R358 PolarHBondContact O-N 3.03Å |
| 359 | V | 98.5 | Very high | 98.3 | Very high | 97 Ų | 97 | 48.7 Ų | 48.7 | 59% | 0.588 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -77.2 | -44.3 | -178.4 | 169 | 0 | 0 | 0 | 0 | 111.7 | P87 F355 T356 | P87-V359 HydrophobicContact CB-CB 3.96Å; P87-V359 HydrophobicContact CB-CG1 4.28Å; P87-V359 HydrophobicContact CB-CG2 3.87Å; P87-V359 HydrophobicContact CG-CB 4.07Å; P87-V359 HydrophobicContact CG-CG1 4.06Å; F355-V359 WeakPolarHBondContact O-CB 3.16Å; F355-V359 WeakPolarHBondContact O-CG2 3.21Å; F355-V359 PolarHBondContact O-N 3.02Å; T356-V359 PolarHBondContact O-N 2.92Å |
| 360 | Y | 98.3 | Very high | 98.3 | Very high | 75 Ų | 75 | 51.8 Ų | 51.8 | 29% | 0.294 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -86.4 | -26.7 | -178.9 | -67.9 | -63.5 | 0 | 0 | 0 | 113.7 | S85 P87 M299 T356 G364 L365 | S85-Y360 WeakPolarHBondContact CB-OH 3.47Å; P87-Y360 HydrophobicContact CG-CD2 4.13Å; P87-Y360 HydrophobicContact CG-CE2 3.45Å; P87-Y360 VanDerWaalsContact CG-CE2 3.45Å; M299-Y360 HydrophobicContact CE-CD2 4.42Å; M299-Y360 HydrophobicContact CE-CE1 3.97Å; M299-Y360 HydrophobicContact CE-CE2 3.75Å; M299-Y360 VanDerWaalsContact CE-CZ 3.49Å; M299-Y360 HydrophobicContact SD-CD2 4.49Å; M299-Y360 HydrophobicContact SD-CE2 4.35Å; T356-Y360 HydrophobicContact CG2-CD2 3.8Å; T356-Y360 HydrophobicContact CG2-CE2 4.12Å; T356-Y360 WeakPolarHBondContact O-CD2 3.41Å; T356-Y360 PolarHBondContact O-N 3.35Å; T356-Y360 VanDerWaalsContact O-N 3.07Å; Y360-G364 WeakPolarHBondContact O-CA 3.31Å; Y360-G364 PolarHBondContact O-N 3.29Å; Y360-L365 HydrophobicContact CD2-CD2 4.33Å |
| 361 | G | 98.4 | Very high | 98.2 | Very high | 27 Ų | 27 | 58.5 Ų | 58.5 | 28% | 0.278 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | 64.2 | 167.8 | -164.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V357 E363 G364 L365 | V357-G361 WeakPolarHBondContact O-CA 3.47Å; V357-G361 PolarHBondContact O-N 3.02Å; G361-E363 PolarHBondContact O-N 3.4Å; G361-G364 PolarHBondContact O-N 2.95Å; G361-L365 WeakPolarHBondContact O-CG 3.39Å; G361-L365 PolarHBondContact O-N 3.37Å |
| 362 | V | 98.1 | Very high | 97.9 | Very high | 43 Ų | 43 | 62.1 Ų | 62.1 | 26% | 0.261 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.5 | -33.2 | 177 | -172.9 | 0 | 0 | 0 | 0 | 111.1 | M125 L365 R366 | M125-V362 HydrophobicContact CE-CG1 4.46Å; M125-V362 HydrophobicContact CE-CG2 4.25Å; M125-V362 HydrophobicContact CG-CG1 4.3Å; M125-V362 HydrophobicContact CG-CG2 3.83Å; M125-V362 HydrophobicContact SD-CG2 4.04Å; V362-L365 PolarHBondContact O-N 3.48Å; V362-R366 HydrophobicContact CG1-CG 4.48Å; V362-R366 VanDerWaalsContact CG1-CZ 3.49Å; V362-R366 WeakPolarHBondContact O-CB 3.31Å; V362-R366 VanDerWaalsContact O-CG 3.26Å; V362-R366 WeakPolarHBondContact O-CG 3.16Å; V362-R366 PolarHBondContact O-N 3.1Å |
| 363 | E | 98.4 | Very high | 97.8 | Very high | 161 Ų | 161 | 62.3 Ų | 62.3 | 75% | 0.752 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -63.3 | -46 | 176.2 | -174.5 | -179.9 | 177.1 | 0 | 0 | 112.5 | G361 L365 R366 K367 | G361-E363 PolarHBondContact O-N 3.4Å; E363-L365 VanDerWaalsContact C-N 3.34Å; E363-L365 PolarHBondContact O-N 2.85Å; E363-R366 PolarHBondContact O-N 2.88Å; E363-K367 WeakPolarHBondContact O-CB 3.34Å; E363-K367 PolarHBondContact O-N 3.5Å |
| 364 | G | 98.3 | Very high | 97.8 | Very high | 24 Ų | 24 | 66.6 Ų | 66.6 | 25% | 0.247 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62 | -42 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y360 G361 K367 N368 | Y360-G364 WeakPolarHBondContact O-CA 3.31Å; Y360-G364 PolarHBondContact O-N 3.29Å; G361-G364 PolarHBondContact O-N 2.95Å; G364-K367 PolarHBondContact O-N 2.93Å; G364-N368 PolarHBondContact O-N 3.05Å |
| 365 | L | 98.2 | Very high | 97.7 | Very high | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 175.9 | -64.4 | 175.1 | 0 | 0 | 0 | 111.9 | M125 I273 M299 T356 V357 Y360 G361 V362 E363 K367 N368 F369 | M125-L365 HydrophobicContact CE-CD1 3.61Å; I273-L365 HydrophobicContact CD1-CB 4.04Å; M299-L365 HydrophobicContact CB-CD2 4.46Å; M299-L365 HydrophobicContact CG-CD2 4.45Å; M299-L365 HydrophobicContact SD-CD2 4.18Å; T356-L365 HydrophobicContact CG2-CD2 4.27Å; V357-L365 HydrophobicContact CG2-CD1 4.18Å; Y360-L365 HydrophobicContact CD2-CD2 4.33Å; G361-L365 WeakPolarHBondContact O-CG 3.39Å; G361-L365 PolarHBondContact O-N 3.37Å; V362-L365 PolarHBondContact O-N 3.48Å; E363-L365 VanDerWaalsContact C-N 3.34Å; E363-L365 PolarHBondContact O-N 2.85Å; L365-K367 PolarHBondContact O-N 3.13Å; L365-N368 PolarHBondContact O-N 3.34Å; L365-F369 PolarHBondContact O-N 2.98Å |
| 366 | R | 98.4 | Very high | 97.6 | Very high | 65 Ų | 65 | 65.4 Ų | 65.4 | 25% | 0.245 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.2 | -45.6 | 173.8 | -74.4 | 167.2 | 178.1 | 156 | 3.8 | 111.9 | I273 V362 E363 N368 F369 R370 | I273-R366 HydrophobicContact CB-CG 4.44Å; I273-R366 HydrophobicContact CD1-CG 4.21Å; I273-R366 HydrophobicContact CG1-CG 3.97Å; I273-R366 PolarHBondContact O-NE 3.18Å; I273-R366 PolarHBondContact O-NH2 3.22Å; V362-R366 HydrophobicContact CG1-CG 4.48Å; V362-R366 VanDerWaalsContact CG1-CZ 3.49Å; V362-R366 WeakPolarHBondContact O-CB 3.31Å; V362-R366 VanDerWaalsContact O-CG 3.26Å; V362-R366 WeakPolarHBondContact O-CG 3.16Å; V362-R366 PolarHBondContact O-N 3.1Å; E363-R366 PolarHBondContact O-N 2.88Å; R366-N368 VanDerWaalsContact C-N 3.3Å; R366-N368 PolarHBondContact O-N 2.8Å; R366-F369 PolarHBondContact O-N 3.34Å; R366-R370 WeakPolarHBondContact O-CB 3.4Å; R366-R370 WeakPolarHBondContact O-CG 3.33Å; R366-R370 PolarHBondContact O-N 3.36Å |
| 367 | K | 98.2 | Very high | 97.6 | Very high | 162 Ų | 162 | 69.5 Ų | 69.5 | 70% | 0.704 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -59.5 | -43 | 177.8 | -176.9 | 179.1 | 179.2 | 178.5 | 0 | 111.1 | E363 G364 L365 K371 | E363-K367 WeakPolarHBondContact O-CB 3.34Å; E363-K367 PolarHBondContact O-N 3.5Å; G364-K367 PolarHBondContact O-N 2.93Å; L365-K367 PolarHBondContact O-N 3.13Å; K367-K371 PolarHBondContact O-N 3.42Å |
| 368 | N | 96.8 | Very high | 97.6 | Very high | 37 Ų | 37 | 76.4 Ų | 76.4 | 20% | 0.198 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.9 | -46.4 | 177.2 | -172.2 | 66.7 | 0 | 0 | 0 | 112.1 | M299 G364 L365 R366 R370 K371 F372 | M299-N368 WeakPolarHBondContact CG-ND2 3.44Å; M299-N368 HydrophobicContact SD-CB 3.66Å; M299-N368 PolarHBondContact SD-ND2 3.1Å; M299-N368 VanDerWaalsContact SD-ND2 3.43Å; G364-N368 PolarHBondContact O-N 3.05Å; L365-N368 PolarHBondContact O-N 3.34Å; R366-N368 VanDerWaalsContact C-N 3.3Å; R366-N368 PolarHBondContact O-N 2.8Å; N368-R370 PolarHBondContact O-N 3.34Å; N368-K371 WeakPolarHBondContact O-CB 3.5Å; N368-K371 PolarHBondContact O-N 3.17Å; N368-F372 WeakPolarHBondContact ND2-CE2 3.3Å; N368-F372 PolarHBondContact O-N 3.43Å |
| 369 | F | 97.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 178.1 | -167.8 | -89.1 | 0 | 0 | 0 | 112.2 | A271 I273 Y277 A297 L365 R366 K371 F372 C373 F397 | A271-F369 HydrophobicContact CB-CD1 4.47Å; A271-F369 HydrophobicContact CB-CE1 3.47Å; A271-F369 VanDerWaalsContact CB-CE1 3.47Å; A271-F369 HydrophobicContact CB-CE2 4.41Å; A271-F369 HydrophobicContact CB-CZ 3.44Å; A271-F369 VanDerWaalsContact CB-CZ 3.44Å; I273-F369 HydrophobicContact CD1-CB 3.99Å; Y277-F369 HydrophobicContact CD2-CD1 4.28Å; Y277-F369 HydrophobicContact CD2-CE1 4Å; Y277-F369 HydrophobicContact CE2-CD1 4.27Å; Y277-F369 HydrophobicContact CE2-CE1 4.12Å; A297-F369 HydrophobicContact CB-CD2 4.01Å; A297-F369 HydrophobicContact CB-CE2 3.87Å; L365-F369 PolarHBondContact O-N 2.98Å; R366-F369 PolarHBondContact O-N 3.34Å; F369-K371 VanDerWaalsContact C-N 3.26Å; F369-K371 PolarHBondContact O-N 2.91Å; F369-F372 WeakPolarHBondContact O-CB 3.39Å; F369-F372 PolarHBondContact O-N 3.01Å; F369-F372 VanDerWaalsContact O-N 3.09Å; F369-C373 WeakPolarHBondContact CE1-SG 3.34Å; F369-C373 PolarHBondContact O-N 3.09Å; F369-F397 HydrophobicContact CE1-CB 4.36Å; F369-F397 HydrophobicContact CE1-CD1 4.13Å; F369-F397 HydrophobicContact CE1-CG 4.38Å; F369-F397 HydrophobicContact CZ-CB 3.99Å; F369-F397 HydrophobicContact CZ-CD1 4.24Å; F369-F397 HydrophobicContact CZ-CG 4.07Å |
| 370 | R | 98 | Very high | 97.5 | Very high | 94 Ų | 94 | 68.5 Ų | 68.5 | 36% | 0.355 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57.1 | -39 | 174.7 | -75.5 | 170.1 | 177.4 | 152.5 | -1.2 | 112.2 | E276 R366 N368 F372 C373 T374 | E276-R370 VanDerWaalsContact CD-NH2 3.33Å; E276-R370 IonicContact OE1-CZ 2.68Å; E276-R370 VanDerWaalsContact OE1-CZ 3.31Å; E276-R370 IonicContact OE1-NE 3.43Å; E276-R370 PolarHBondContact OE1-NE 3.02Å; E276-R370 IonicContact OE1-NH2 3.31Å; E276-R370 PolarHBondContact OE1-NH2 3.19Å; E276-R370 VanDerWaalsContact OE1-NH2 3.1Å; E276-R370 IonicContact OE2-CZ 3.84Å; E276-R370 IonicContact OE2-NE 3.1Å; E276-R370 IonicContact OE2-NH2 3.72Å; E276-R370 PolarHBondContact OE2-NH2 3.46Å; R366-R370 WeakPolarHBondContact O-CB 3.4Å; R366-R370 WeakPolarHBondContact O-CG 3.33Å; R366-R370 PolarHBondContact O-N 3.36Å; N368-R370 PolarHBondContact O-N 3.34Å; R370-F372 VanDerWaalsContact C-N 3.32Å; R370-F372 PolarHBondContact O-N 2.93Å; R370-C373 PolarHBondContact O-N 3.33Å; R370-T374 PolarHBondContact O-N 3.49Å; R370-T374 PolarHBondContact O-OG1 2.99Å |
| 371 | K | 96.8 | Very high | 97.5 | Very high | 140 Ų | 140 | 66.2 Ų | 66.2 | 61% | 0.609 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -59.4 | -42.3 | 176.4 | -175 | 178.9 | 176.8 | -176.2 | 0 | 111.6 | K367 N368 F369 T374 V375 | K367-K371 PolarHBondContact O-N 3.42Å; N368-K371 WeakPolarHBondContact O-CB 3.5Å; N368-K371 PolarHBondContact O-N 3.17Å; F369-K371 VanDerWaalsContact C-N 3.26Å; F369-K371 PolarHBondContact O-N 2.91Å; K371-T374 PolarHBondContact O-N 2.94Å; K371-V375 WeakPolarHBondContact O-CG2 3.43Å; K371-V375 PolarHBondContact O-N 3.49Å |
| 372 | F | 91.9 | Very high | 97.5 | Very high | 83 Ų | 83 | 68.5 Ų | 68.5 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.4 | -48 | 174.2 | -65.2 | -48.1 | 0 | 0 | 0 | 111.7 | N368 F369 R370 T374 V375 A376 | N368-F372 WeakPolarHBondContact ND2-CE2 3.3Å; N368-F372 PolarHBondContact O-N 3.43Å; F369-F372 WeakPolarHBondContact O-CB 3.39Å; F369-F372 PolarHBondContact O-N 3.01Å; F369-F372 VanDerWaalsContact O-N 3.09Å; R370-F372 VanDerWaalsContact C-N 3.32Å; R370-F372 PolarHBondContact O-N 2.93Å; F372-T374 PolarHBondContact O-N 3.36Å; F372-V375 PolarHBondContact O-N 3.36Å; F372-A376 PolarHBondContact O-N 3.03Å |
| 373 | C | 97.1 | Very high | 97.5 | Very high | 4 Ų | 4 | 67 Ų | 67 | 3% | 0.027 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.3 | -43 | 177.9 | -59.6 | 0 | 0 | 0 | 0 | 112.3 | F369 R370 V375 A376 Q377 F397 | F369-C373 WeakPolarHBondContact CE1-SG 3.34Å; F369-C373 PolarHBondContact O-N 3.09Å; R370-C373 PolarHBondContact O-N 3.33Å; C373-V375 PolarHBondContact O-N 3.48Å; C373-A376 PolarHBondContact O-N 3.38Å; C373-Q377 WeakPolarHBondContact O-CG 3.45Å; C373-Q377 PolarHBondContact O-N 3.45Å; C373-F397 WeakPolarHBondContact CA-O 3.4Å |
| 374 | T | 97.8 | Very high | 97.5 | Very high | 95 Ų | 95 | 66.6 Ų | 66.6 | 58% | 0.583 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62.1 | -44.1 | 178.3 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | R370 K371 F372 Q377 Y378 | R370-T374 PolarHBondContact O-N 3.49Å; R370-T374 PolarHBondContact O-OG1 2.99Å; K371-T374 PolarHBondContact O-N 2.94Å; F372-T374 PolarHBondContact O-N 3.36Å; T374-Q377 PolarHBondContact O-N 3.07Å; T374-Y378 WeakPolarHBondContact O-CB 3.26Å; T374-Y378 PolarHBondContact O-N 2.92Å |
| 375 | V | 97 | Very high | 97.4 | Very high | 83 Ų | 83 | 73.7 Ų | 73.7 | 50% | 0.503 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.1 | -42 | 178.2 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | K371 F372 C373 Y378 F379 | K371-V375 WeakPolarHBondContact O-CG2 3.43Å; K371-V375 PolarHBondContact O-N 3.49Å; F372-V375 PolarHBondContact O-N 3.36Å; C373-V375 PolarHBondContact O-N 3.48Å; V375-Y378 PolarHBondContact O-N 2.85Å; V375-F379 PolarHBondContact O-N 2.92Å |
| 376 | A | 97.5 | Very high | 97.4 | Very high | 7 Ų | 7 | 75.2 Ų | 75.2 | 6% | 0.058 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F372 C373 Y378 F379 A380 V400 | F372-A376 PolarHBondContact O-N 3.03Å; C373-A376 PolarHBondContact O-N 3.38Å; A376-Y378 VanDerWaalsContact C-N 3.35Å; A376-Y378 PolarHBondContact O-N 3.32Å; A376-F379 PolarHBondContact O-N 3.38Å; A376-A380 WeakPolarHBondContact O-CB 3.49Å; A376-A380 PolarHBondContact O-N 2.92Å; A376-V400 HydrophobicContact CB-CG2 3.91Å; A376-V400 WeakPolarHBondContact O-CG2 3.15Å |
| 377 | Q | 97.9 | Very high | 97.2 | Very high | 86 Ų | 86 | 75.8 Ų | 75.8 | 40% | 0.402 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.8 | -37.9 | 176 | -70.9 | -64 | -16 | 0 | 0 | 112.6 | C373 T374 A380 G381 V395 | C373-Q377 WeakPolarHBondContact O-CG 3.45Å; C373-Q377 PolarHBondContact O-N 3.45Å; T374-Q377 PolarHBondContact O-N 3.07Å; Q377-A380 PolarHBondContact O-N 2.84Å; Q377-G381 PolarHBondContact O-N 3.31Å; Q377-V395 VanDerWaalsContact NE2-CG1 3.3Å; Q377-V395 PolarHBondContact NE2-O 3.32Å |
| 378 | Y | 98.1 | Very high | 97.1 | Very high | 159 Ų | 159 | 74 Ų | 74 | 62% | 0.624 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61.5 | -48.8 | 173.5 | 175.5 | -105.1 | 0 | 0 | 0 | 111.4 | T374 V375 A376 A380 G381 L382 | T374-Y378 WeakPolarHBondContact O-CB 3.26Å; T374-Y378 PolarHBondContact O-N 2.92Å; V375-Y378 PolarHBondContact O-N 2.85Å; A376-Y378 VanDerWaalsContact C-N 3.35Å; A376-Y378 PolarHBondContact O-N 3.32Å; Y378-A380 PolarHBondContact O-N 3.34Å; Y378-G381 WeakPolarHBondContact O-CA 3.45Å; Y378-G381 PolarHBondContact O-N 3.38Å; Y378-G381 VanDerWaalsContact O-N 3.07Å; Y378-L382 HydrophobicContact CD1-CD1 4.24Å; Y378-L382 HydrophobicContact CE1-CD1 3.66Å; Y378-L382 HydrophobicContact CE1-CG 4.24Å; Y378-L382 PolarHBondContact O-N 3.31Å |
| 379 | F | 98 | Very high | 97.1 | Very high | 91 Ų | 91 | 75.4 Ų | 75.4 | 40% | 0.399 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 176.1 | 177.4 | -107.4 | 0 | 0 | 0 | 111.9 | V375 A376 G381 L382 V383 V400 I402 | V375-F379 PolarHBondContact O-N 2.92Å; A376-F379 PolarHBondContact O-N 3.38Å; F379-G381 PolarHBondContact O-N 3.22Å; F379-L382 WeakPolarHBondContact O-CA 3.36Å; F379-L382 WeakPolarHBondContact O-CB 3.37Å; F379-L382 PolarHBondContact O-N 3.33Å; F379-V383 HydrophobicContact CD1-CG2 4.15Å; F379-V383 HydrophobicContact CD2-CG2 4.49Å; F379-V383 HydrophobicContact CE1-CG2 3.72Å; F379-V383 HydrophobicContact CE2-CG2 4.1Å; F379-V383 HydrophobicContact CZ-CG2 3.69Å; F379-V383 WeakPolarHBondContact O-CG2 3.32Å; F379-V383 PolarHBondContact O-N 3.37Å; F379-V400 HydrophobicContact CD1-CB 3.91Å; F379-V400 HydrophobicContact CD1-CG1 3.99Å; F379-V400 HydrophobicContact CD1-CG2 4Å; F379-V400 HydrophobicContact CE1-CB 4.22Å; F379-V400 HydrophobicContact CE1-CG1 4.19Å; F379-I402 HydrophobicContact CE1-CD1 4.27Å; F379-I402 HydrophobicContact CE1-CG2 4.34Å; F379-I402 HydrophobicContact CZ-CD1 4Å |
| 380 | A | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -57.2 | -38.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A376 Q377 Y378 V383 R384 I391 V395 V400 | A376-A380 WeakPolarHBondContact O-CB 3.49Å; A376-A380 PolarHBondContact O-N 2.92Å; Q377-A380 PolarHBondContact O-N 2.84Å; Y378-A380 PolarHBondContact O-N 3.34Å; A380-V383 PolarHBondContact O-N 3.45Å; A380-R384 VanDerWaalsContact O-CG 3.31Å; A380-R384 WeakPolarHBondContact O-CG 3.28Å; A380-R384 PolarHBondContact O-N 3.07Å; A380-I391 HydrophobicContact CB-CD1 3.74Å; A380-V395 HydrophobicContact CB-CG1 4.49Å; A380-V395 HydrophobicContact CB-CG2 3.77Å; A380-V400 HydrophobicContact CB-CG1 4.04Å; A380-V400 HydrophobicContact CB-CG2 4.25Å |
| 381 | G | 98.2 | Very high | 97 | Very high | 27 Ų | 27 | 75.5 Ų | 75.5 | 28% | 0.278 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.2 | -37.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q377 Y378 F379 K385 | Q377-G381 PolarHBondContact O-N 3.31Å; Y378-G381 WeakPolarHBondContact O-CA 3.45Å; Y378-G381 PolarHBondContact O-N 3.38Å; Y378-G381 VanDerWaalsContact O-N 3.07Å; F379-G381 PolarHBondContact O-N 3.22Å; G381-K385 WeakPolarHBondContact O-CG 3.34Å; G381-K385 PolarHBondContact O-N 3.18Å |
| 382 | L | 98.2 | Very high | 96.9 | Very high | 76 Ų | 76 | 71.5 Ų | 71.5 | 40% | 0.398 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.1 | -45.3 | 173.7 | -63.1 | 177.1 | 0 | 0 | 0 | 111.5 | Y378 F379 R384 K385 | Y378-L382 HydrophobicContact CD1-CD1 4.24Å; Y378-L382 HydrophobicContact CE1-CD1 3.66Å; Y378-L382 HydrophobicContact CE1-CG 4.24Å; Y378-L382 PolarHBondContact O-N 3.31Å; F379-L382 WeakPolarHBondContact O-CA 3.36Å; F379-L382 WeakPolarHBondContact O-CB 3.37Å; F379-L382 PolarHBondContact O-N 3.33Å; L382-R384 PolarHBondContact O-N 3.43Å; L382-K385 WeakPolarHBondContact O-CB 3.38Å; L382-K385 PolarHBondContact O-N 3.3Å; L382-K385 VanDerWaalsContact O-N 3.16Å |
| 383 | V | 97.8 | Very high | 97.1 | Very high | 12 Ų | 12 | 69.3 Ų | 69.3 | 7% | 0.073 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 179 | 174.2 | 0 | 0 | 0 | 0 | 111 | F379 A380 K385 D386 F389 I391 I402 | F379-V383 HydrophobicContact CD1-CG2 4.15Å; F379-V383 HydrophobicContact CD2-CG2 4.49Å; F379-V383 HydrophobicContact CE1-CG2 3.72Å; F379-V383 HydrophobicContact CE2-CG2 4.1Å; F379-V383 HydrophobicContact CZ-CG2 3.69Å; F379-V383 WeakPolarHBondContact O-CG2 3.32Å; F379-V383 PolarHBondContact O-N 3.37Å; A380-V383 PolarHBondContact O-N 3.45Å; V383-K385 PolarHBondContact O-N 2.98Å; V383-D386 PolarHBondContact O-N 3.27Å; V383-F389 HydrophobicContact CG1-CB 3.8Å; V383-I391 HydrophobicContact CB-CG1 4.47Å; V383-I391 HydrophobicContact CG1-CG1 3.93Å; V383-I402 HydrophobicContact CB-CG2 4.46Å; V383-I402 HydrophobicContact CG1-CB 4.44Å; V383-I402 HydrophobicContact CG1-CG2 3.84Å; V383-I402 HydrophobicContact CG2-CD1 4.45Å; V383-I402 HydrophobicContact CG2-CG2 4.05Å |
| 384 | R | 97.4 | Very high | 97 | Very high | 152 Ų | 152 | 72.4 Ų | 72.4 | 57% | 0.574 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -61.5 | -26.2 | 178.1 | -73.5 | 177.9 | -171.6 | 116.7 | -1.5 | 113.7 | A380 L382 D386 I391 | A380-R384 VanDerWaalsContact O-CG 3.31Å; A380-R384 WeakPolarHBondContact O-CG 3.28Å; A380-R384 PolarHBondContact O-N 3.07Å; L382-R384 PolarHBondContact O-N 3.43Å; R384-D386 VanDerWaalsContact C-N 3.3Å; R384-I391 HydrophobicContact CG-CD1 3.82Å |
| 385 | K | 97.7 | Very high | 97 | Very high | 172 Ų | 172 | 68.9 Ų | 68.9 | 75% | 0.748 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -76.8 | -18.4 | 177.2 | -71 | 172.4 | -179.1 | -178.5 | 0 | 112.8 | G381 L382 V383 | G381-K385 WeakPolarHBondContact O-CG 3.34Å; G381-K385 PolarHBondContact O-N 3.18Å; L382-K385 WeakPolarHBondContact O-CB 3.38Å; L382-K385 PolarHBondContact O-N 3.3Å; L382-K385 VanDerWaalsContact O-N 3.16Å; V383-K385 PolarHBondContact O-N 2.98Å |
| 386 | D | 96.9 | Very high | 96.9 | Very high | 35 Ų | 35 | 66.1 Ų | 66.1 | 19% | 0.187 | 32% | 0.319 | C | S | . | . | trans | -97.3 | 111.4 | -179.1 | -167.5 | -36 | 0 | 0 | 0 | 110.6 | V383 R384 R388 F389 | V383-D386 PolarHBondContact O-N 3.27Å; R384-D386 VanDerWaalsContact C-N 3.3Å; D386-R388 PolarHBondContact O-N 3.48Å; D386-R388 WeakPolarHBondContact OD1-CB 3.34Å; D386-R388 VanDerWaalsContact OD1-CG 3.26Å; D386-R388 WeakPolarHBondContact OD1-CG 3.49Å; D386-R388 IonicContact OD1-CZ 3.93Å; D386-R388 PolarHBondContact OD1-N 2.96Å; D386-R388 IonicContact OD1-NE 3.83Å; D386-R388 PolarHBondContact OD1-NE 3.46Å; D386-R388 IonicContact OD1-NH2 2.66Å; D386-R388 IonicContact OD2-CZ 3.99Å; D386-R388 VanDerWaalsContact OD2-CZ 3.29Å; D386-R388 IonicContact OD2-NE 3.09Å; D386-R388 PolarHBondContact OD2-NE 3.48Å; D386-R388 VanDerWaalsContact OD2-NE 3.15Å; D386-R388 IonicContact OD2-NH2 2.66Å; D386-R388 PolarHBondContact OD2-NH2 2.97Å; D386-F389 HydrophobicContact CB-CD2 3.86Å; D386-F389 PolarHBondContact O-N 3.32Å; D386-F389 VanDerWaalsContact O-N 3.16Å | ||
| 387 | P | 95.4 | Very high | 96.8 | Very high | 77 Ų | 77 | 66.3 Ų | 66.3 | 50% | 0.5 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -15.7 | -175.1 | 27.8 | -35.7 | 0 | 0 | 0 | 113.3 | F389 K405 Y408 | P387-F389 VanDerWaalsContact C-N 3.32Å; P387-K405 WeakPolarHBondContact O-CD 3.43Å; P387-K405 PolarHBondContact O-NZ 3.33Å; P387-Y408 WeakPolarHBondContact O-CE2 3.4Å |
| 388 | R | 96.1 | Very high | 96.7 | Very high | 125 Ų | 125 | 63.6 Ų | 63.6 | 47% | 0.472 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -25.3 | 179.3 | -57 | 174.8 | -69 | 177.9 | 0.2 | 112.7 | D386 L404 K405 Y408 | D386-R388 PolarHBondContact O-N 3.48Å; D386-R388 WeakPolarHBondContact OD1-CB 3.34Å; D386-R388 VanDerWaalsContact OD1-CG 3.26Å; D386-R388 WeakPolarHBondContact OD1-CG 3.49Å; D386-R388 IonicContact OD1-CZ 3.93Å; D386-R388 PolarHBondContact OD1-N 2.96Å; D386-R388 IonicContact OD1-NE 3.83Å; D386-R388 PolarHBondContact OD1-NE 3.46Å; D386-R388 IonicContact OD1-NH2 2.66Å; D386-R388 IonicContact OD2-CZ 3.99Å; D386-R388 VanDerWaalsContact OD2-CZ 3.29Å; D386-R388 IonicContact OD2-NE 3.09Å; D386-R388 PolarHBondContact OD2-NE 3.48Å; D386-R388 VanDerWaalsContact OD2-NE 3.15Å; D386-R388 IonicContact OD2-NH2 2.66Å; D386-R388 PolarHBondContact OD2-NH2 2.97Å; R388-L404 HydrophobicContact CB-CD1 3.95Å; R388-L404 WeakPolarHBondContact O-CD1 3.35Å; R388-K405 PolarHBondContact O-N 3.13Å; R388-Y408 HydrophobicContact CB-CD1 4.46Å; R388-Y408 HydrophobicContact CB-CD2 4.37Å; R388-Y408 HydrophobicContact CB-CG 4.3Å; R388-Y408 HydrophobicContact CG-CD1 3.93Å; R388-Y408 HydrophobicContact CG-CE1 3.86Å; R388-Y408 HydrophobicContact CG-CG 4.27Å |
| 389 | F | 96.9 | Very high | 96.6 | Very high | 65 Ų | 65 | 57.4 Ų | 57.4 | 29% | 0.285 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 159.5 | -175.2 | -61.7 | -89.3 | 0 | 0 | 0 | 112 | V383 D386 P387 R403 L404 K405 | V383-F389 HydrophobicContact CG1-CB 3.8Å; D386-F389 HydrophobicContact CB-CD2 3.86Å; D386-F389 PolarHBondContact O-N 3.32Å; D386-F389 VanDerWaalsContact O-N 3.16Å; P387-F389 VanDerWaalsContact C-N 3.32Å; F389-R403 WeakPolarHBondContact CA-O 3.47Å; F389-L404 HydrophobicContact CD1-CD1 4.19Å; F389-L404 HydrophobicContact CE1-CD1 3.93Å; F389-L404 HydrophobicContact CZ-CD1 4.12Å; F389-K405 WeakPolarHBondContact O-CE 3.49Å; F389-K405 PolarHBondContact O-NZ 3Å |
| 390 | E | 95.9 | Very high | 96.6 | Very high | 57 Ų | 57 | 54.4 Ų | 54.4 | 27% | 0.266 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 149.3 | 167.1 | 63.2 | -170.4 | 149.9 | 0 | 0 | 110.8 | V392 I402 R403 K405 | E390-V392 HydrophobicContact CG-CG1 4.28Å; E390-I402 VanDerWaalsContact O-CA 3.32Å; E390-I402 WeakPolarHBondContact O-CA 3.48Å; E390-R403 HydrophobicContact CG-CG 3.71Å; E390-R403 PolarHBondContact N-O 3.06Å; E390-R403 PolarHBondContact O-N 3.43Å; E390-R403 IonicContact OE1-CZ 3.92Å; E390-R403 IonicContact OE1-NE 3.96Å; E390-R403 PolarHBondContact OE1-NE 2.63Å; E390-R403 IonicContact OE1-NH2 3.32Å; E390-R403 PolarHBondContact OE1-NH2 2.9Å; E390-R403 IonicContact OE2-NH2 2.98Å; E390-K405 HydrophobicContact CB-CG 4.04Å; E390-K405 HydrophobicContact CG-CG 4.01Å |
| 391 | I | 96.6 | Very high | 96.6 | Very high | 40 Ų | 40 | 55.6 Ų | 55.6 | 21% | 0.205 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 121.7 | 169.4 | -66.9 | 173.9 | 0 | 0 | 0 | 106.7 | A380 V383 R384 Q393 V395 V400 C401 I402 | A380-I391 HydrophobicContact CB-CD1 3.74Å; V383-I391 HydrophobicContact CB-CG1 4.47Å; V383-I391 HydrophobicContact CG1-CG1 3.93Å; R384-I391 HydrophobicContact CG-CD1 3.82Å; I391-Q393 WeakPolarHBondContact CG2-O 3.42Å; I391-V395 HydrophobicContact CD1-CG2 4.23Å; I391-V395 HydrophobicContact CG2-CG2 4.14Å; I391-V400 HydrophobicContact CD1-CG1 4.38Å; I391-V400 HydrophobicContact CG1-CG1 4.33Å; I391-C401 CarbonylContact C-O 3.55Å; I391-C401 WeakPolarHBondContact CA-O 3.33Å; I391-I402 HydrophobicContact CG1-CG2 4.27Å |
| 392 | V | 95.3 | Very high | 96.5 | Very high | 55 Ų | 55 | 57.6 Ų | 57.6 | 33% | 0.333 | 29% | 0.293 | S | S | . | . | trans | -90.7 | -16.7 | -169.6 | -61.8 | 0 | 0 | 0 | 0 | 114 | E390 C401 R403 | E390-V392 HydrophobicContact CG-CG1 4.28Å; V392-C401 HydrophobicContact CG2-CB 3.46Å; V392-C401 VanDerWaalsContact CG2-CB 3.46Å; V392-C401 PolarHBondContact N-O 2.9Å; V392-R403 HydrophobicContact CG1-CB 4.1Å; V392-R403 HydrophobicContact CG1-CG 3.47Å; V392-R403 VanDerWaalsContact CG1-CG 3.47Å | ||
| 393 | Q | 95.8 | Very high | 96.4 | Very high | 37 Ų | 37 | 60.4 Ų | 60.4 | 17% | 0.173 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -144.8 | 156.9 | 179.3 | -73.9 | -59.2 | -18.3 | 0 | 0 | 110.5 | D206 C208 I391 V395 C401 | D206-Q393 PolarHBondContact O-NE2 2.68Å; C208-Q393 PolarHBondContact SG-NE2 3.04Å; I391-Q393 WeakPolarHBondContact CG2-O 3.42Å; Q393-V395 PolarHBondContact O-N 2.92Å; Q393-C401 HydrophobicContact CB-CB 4.41Å |
| 394 | P | 95.6 | Very high | 96.3 | Very high | 69 Ų | 69 | 62.6 Ų | 62.6 | 45% | 0.448 | 31% | 0.31 | S | S | . | . | trans | -51.6 | 140.3 | 176.3 | -26.4 | 34.6 | 0 | 0 | 0 | 112.4 | L207 V396 | L207-P394 HydrophobicContact CD2-CG 3.86Å; P394-V396 HydrophobicContact CB-CG2 4.24Å; P394-V396 PolarHBondContact O-N 2.88Å | ||
| 395 | V | 96.3 | Very high | 96.1 | Very high | 21 Ų | 21 | 58.5 Ų | 58.5 | 13% | 0.127 | 30% | 0.296 | C | S | . | . | trans | -78.2 | 98.5 | 177.1 | -180 | 0 | 0 | 0 | 0 | 108.6 | Q377 A380 I391 Q393 V400 | Q377-V395 VanDerWaalsContact NE2-CG1 3.3Å; Q377-V395 PolarHBondContact NE2-O 3.32Å; A380-V395 HydrophobicContact CB-CG1 4.49Å; A380-V395 HydrophobicContact CB-CG2 3.77Å; I391-V395 HydrophobicContact CD1-CG2 4.23Å; I391-V395 HydrophobicContact CG2-CG2 4.14Å; Q393-V395 PolarHBondContact O-N 2.92Å; V395-V400 HydrophobicContact CG1-CG2 3.95Å; V395-V400 HydrophobicContact CG2-CG1 4.18Å; V395-V400 HydrophobicContact CG2-CG2 4.41Å | ||
| 396 | V | 94.4 | Very high | 95.6 | Very high | 26 Ų | 26 | 54.5 Ų | 54.5 | 16% | 0.158 | 29% | 0.286 | C | S | . | . | trans | -104.9 | 125.2 | 179.2 | -176.8 | 0 | 0 | 0 | 0 | 109 | C242 V244 P394 G398 V399 | C242-V396 HydrophobicContact CB-CB 4.38Å; V244-V396 HydrophobicContact CG2-CG1 4.39Å; P394-V396 HydrophobicContact CB-CG2 4.24Å; P394-V396 PolarHBondContact O-N 2.88Å; V396-G398 PolarHBondContact O-N 3.2Å; V396-V399 PolarHBondContact O-N 3.29Å | ||
| 397 | F | 95.8 | Very high | 95.1 | Very high | 10 Ų | 10 | 56.6 Ų | 56.6 | 4% | 0.044 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | -120 | -177.1 | -46.5 | -49.2 | 0 | 0 | 0 | 113.5 | Y267 A271 Y277 W279 I280 F369 C373 | Y267-F397 HydrophobicContact CE1-CB 4.15Å; Y267-F397 HydrophobicContact CE1-CD2 4.07Å; A271-F397 HydrophobicContact CB-CD1 3.53Å; A271-F397 HydrophobicContact CB-CD2 4.23Å; A271-F397 HydrophobicContact CB-CE1 3.26Å; A271-F397 HydrophobicContact CB-CE2 4.01Å; A271-F397 HydrophobicContact CB-CG 4.04Å; A271-F397 HydrophobicContact CB-CZ 3.55Å; Y277-F397 HydrophobicContact CD1-CD1 4.31Å; Y277-F397 AromaticContact CD1-CE1 3.93Å; Y277-F397 HydrophobicContact CD1-CE1 3.93Å; Y277-F397 HydrophobicContact CD2-CD1 4.42Å; Y277-F397 HydrophobicContact CD2-CE1 4.45Å; Y277-F397 HydrophobicContact CG-CD1 4.26Å; Y277-F397 AromaticContact CG-CE1 3.89Å; Y277-F397 HydrophobicContact CG-CE1 3.89Å; W279-F397 HydrophobicContact CH2-CZ 4.39Å; W279-F397 HydrophobicContact CZ2-CE1 4.31Å; W279-F397 HydrophobicContact CZ2-CZ 4.23Å; I280-F397 HydrophobicContact CB-CZ 4.4Å; I280-F397 HydrophobicContact CD1-CE2 3.61Å; I280-F397 HydrophobicContact CD1-CZ 3.64Å; I280-F397 HydrophobicContact CG1-CZ 4.22Å; F369-F397 HydrophobicContact CE1-CB 4.36Å; F369-F397 HydrophobicContact CE1-CD1 4.13Å; F369-F397 HydrophobicContact CE1-CG 4.38Å; F369-F397 HydrophobicContact CZ-CB 3.99Å; F369-F397 HydrophobicContact CZ-CD1 4.24Å; F369-F397 HydrophobicContact CZ-CG 4.07Å; C373-F397 WeakPolarHBondContact CA-O 3.4Å |
| 398 | G | 95.7 | Very high | 94.4 | Very high | 30 Ų | 30 | 56.7 Ų | 56.7 | 31% | 0.309 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 10.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y267 V396 | Y267-G398 WeakPolarHBondContact OH-CA 3.47Å; Y267-G398 PolarHBondContact OH-N 2.9Å; Y267-G398 VanDerWaalsContact OH-N 3.12Å; V396-G398 PolarHBondContact O-N 3.2Å |
| 399 | V | 97.1 | Very high | 93.2 | Very high | 29 Ų | 29 | 54.2 Ų | 54.2 | 18% | 0.176 | 29% | 0.29 | C | S | . | . | trans | -111.7 | 132.3 | -173.7 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | F80 C242 Y267 V396 | F80-V399 HydrophobicContact CD1-CG2 4.21Å; F80-V399 HydrophobicContact CE1-CG2 3.57Å; C242-V399 HydrophobicContact CB-CB 3.83Å; C242-V399 HydrophobicContact CB-CG1 4.21Å; C242-V399 HydrophobicContact CB-CG2 3.89Å; Y267-V399 HydrophobicContact CE1-CG2 4.2Å; V396-V399 PolarHBondContact O-N 3.29Å | ||
| 400 | V | 97.8 | Very high | 91.5 | Very high | 28 Ų | 28 | 59.3 Ų | 59.3 | 17% | 0.17 | 31% | 0.312 | C | S | . | . | trans | -128.4 | 108.8 | 175.3 | -169.6 | 0 | 0 | 0 | 0 | 109.2 | A376 F379 A380 I391 V395 I402 | A376-V400 HydrophobicContact CB-CG2 3.91Å; A376-V400 WeakPolarHBondContact O-CG2 3.15Å; F379-V400 HydrophobicContact CD1-CB 3.91Å; F379-V400 HydrophobicContact CD1-CG1 3.99Å; F379-V400 HydrophobicContact CD1-CG2 4Å; F379-V400 HydrophobicContact CE1-CB 4.22Å; F379-V400 HydrophobicContact CE1-CG1 4.19Å; A380-V400 HydrophobicContact CB-CG1 4.04Å; A380-V400 HydrophobicContact CB-CG2 4.25Å; I391-V400 HydrophobicContact CD1-CG1 4.38Å; I391-V400 HydrophobicContact CG1-CG1 4.33Å; V395-V400 HydrophobicContact CG1-CG2 3.95Å; V395-V400 HydrophobicContact CG2-CG1 4.18Å; V395-V400 HydrophobicContact CG2-CG2 4.41Å; V400-I402 HydrophobicContact CG1-CG2 3.75Å | ||
| 401 | C | 97.3 | Very high | 89.7 | Confident | 25 Ų | 25 | 61.3 Ų | 61.3 | 17% | 0.169 | 33% | 0.328 | C | S | . | . | trans | -89.1 | 120.4 | 176.5 | -57 | 0 | 0 | 0 | 0 | 109.7 | A240 I391 V392 Q393 | A240-C401 PolarHBondContact O-SG 3.28Å; I391-C401 CarbonylContact C-O 3.55Å; I391-C401 WeakPolarHBondContact CA-O 3.33Å; V392-C401 HydrophobicContact CG2-CB 3.46Å; V392-C401 VanDerWaalsContact CG2-CB 3.46Å; V392-C401 PolarHBondContact N-O 2.9Å; Q393-C401 HydrophobicContact CB-CB 4.41Å | ||
| 402 | I | 96.5 | Very high | 87.5 | Confident | 68 Ų | 68 | 63.8 Ų | 63.8 | 35% | 0.349 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 156.8 | -177.1 | 67.7 | 170.7 | 0 | 0 | 0 | 111.4 | F379 V383 E390 I391 V400 | F379-I402 HydrophobicContact CE1-CD1 4.27Å; F379-I402 HydrophobicContact CE1-CG2 4.34Å; F379-I402 HydrophobicContact CZ-CD1 4Å; V383-I402 HydrophobicContact CB-CG2 4.46Å; V383-I402 HydrophobicContact CG1-CB 4.44Å; V383-I402 HydrophobicContact CG1-CG2 3.84Å; V383-I402 HydrophobicContact CG2-CD1 4.45Å; V383-I402 HydrophobicContact CG2-CG2 4.05Å; E390-I402 VanDerWaalsContact O-CA 3.32Å; E390-I402 WeakPolarHBondContact O-CA 3.48Å; I391-I402 HydrophobicContact CG1-CG2 4.27Å; V400-I402 HydrophobicContact CG1-CG2 3.75Å |
| 403 | R | 95.5 | Very high | 85.2 | Confident | 136 Ų | 136 | 70 Ų | 70 | 51% | 0.513 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 165.1 | 164.4 | 72.8 | -178.2 | -179.8 | -158.1 | -4.9 | 111.2 | F389 E390 V392 | F389-R403 WeakPolarHBondContact CA-O 3.47Å; E390-R403 HydrophobicContact CG-CG 3.71Å; E390-R403 PolarHBondContact N-O 3.06Å; E390-R403 PolarHBondContact O-N 3.43Å; E390-R403 IonicContact OE1-CZ 3.92Å; E390-R403 IonicContact OE1-NE 3.96Å; E390-R403 PolarHBondContact OE1-NE 2.63Å; E390-R403 IonicContact OE1-NH2 3.32Å; E390-R403 PolarHBondContact OE1-NH2 2.9Å; E390-R403 IonicContact OE2-NH2 2.98Å; V392-R403 HydrophobicContact CG1-CB 4.1Å; V392-R403 HydrophobicContact CG1-CG 3.47Å; V392-R403 VanDerWaalsContact CG1-CG 3.47Å |
| 404 | L | 96.5 | Very high | 82.7 | Confident | 57 Ų | 57 | 72.9 Ų | 72.9 | 30% | 0.298 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 135.2 | 166.3 | -162.1 | 76.1 | 0 | 0 | 0 | 109.4 | R388 F389 L409 | R388-L404 HydrophobicContact CB-CD1 3.95Å; R388-L404 WeakPolarHBondContact O-CD1 3.35Å; F389-L404 HydrophobicContact CD1-CD1 4.19Å; F389-L404 HydrophobicContact CE1-CD1 3.93Å; F389-L404 HydrophobicContact CZ-CD1 4.12Å; L404-L409 HydrophobicContact CB-CD2 4.41Å; L404-L409 HydrophobicContact CD2-CD2 3.71Å; L404-L409 HydrophobicContact CD2-CG 4.14Å |
| 405 | K | 93.1 | Very high | 80.2 | Confident | 66 Ų | 66 | 79.4 Ų | 79.4 | 29% | 0.287 | 40% | 0.401 | S | S | . | . | trans | -66.7 | 143 | 176.8 | -71.1 | 179.9 | -173.6 | 151.9 | 0 | 111.1 | P387 R388 F389 E390 S407 Y408 L409 | P387-K405 WeakPolarHBondContact O-CD 3.43Å; P387-K405 PolarHBondContact O-NZ 3.33Å; R388-K405 PolarHBondContact O-N 3.13Å; F389-K405 WeakPolarHBondContact O-CE 3.49Å; F389-K405 PolarHBondContact O-NZ 3Å; E390-K405 HydrophobicContact CB-CG 4.04Å; E390-K405 HydrophobicContact CG-CG 4.01Å; K405-S407 PolarHBondContact O-N 3.16Å; K405-S407 VanDerWaalsContact O-N 3.15Å; K405-Y408 HydrophobicContact CB-CD2 4.06Å; K405-Y408 PolarHBondContact O-N 2.97Å; K405-L409 PolarHBondContact O-N 2.93Å | ||
| 406 | V | 86.9 | Confident | 77.5 | Confident | 88 Ų | 88 | 84.5 Ų | 84.5 | 53% | 0.533 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -56.7 | -34.3 | -176.9 | 179.5 | 0 | 0 | 0 | 0 | 113.2 | Y408 L409 | V406-Y408 PolarHBondContact O-N 3.16Å; V406-L409 PolarHBondContact O-N 3.47Å; V406-L409 VanDerWaalsContact O-N 3.12Å |
| 407 | S | 87.1 | Confident | 74.6 | Confident | 80 Ų | 80 | 93.8 Ų | 93.8 | 56% | 0.559 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -59.2 | -27.5 | 176.6 | 52.1 | 0 | 0 | 0 | 0 | 113.5 | K405 T411 | K405-S407 PolarHBondContact O-N 3.16Å; K405-S407 VanDerWaalsContact O-N 3.15Å; S407-T411 PolarHBondContact O-OG1 3.45Å |
| 408 | Y | 81.3 | Confident | 71.5 | Confident | 78 Ų | 78 | 98 Ų | 98 | 31% | 0.306 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -96.5 | -14.2 | 178.5 | -66.2 | -86.4 | 0 | 0 | 0 | 113.2 | P387 R388 K405 V406 | P387-Y408 WeakPolarHBondContact O-CE2 3.4Å; R388-Y408 HydrophobicContact CB-CD1 4.46Å; R388-Y408 HydrophobicContact CB-CD2 4.37Å; R388-Y408 HydrophobicContact CB-CG 4.3Å; R388-Y408 HydrophobicContact CG-CD1 3.93Å; R388-Y408 HydrophobicContact CG-CE1 3.86Å; R388-Y408 HydrophobicContact CG-CG 4.27Å; K405-Y408 HydrophobicContact CB-CD2 4.06Å; K405-Y408 PolarHBondContact O-N 2.97Å; V406-Y408 PolarHBondContact O-N 3.16Å |
| 409 | L | 70.7 | Confident | 68.3 | Low | 74 Ų | 74 | 107.9 Ų | 107.9 | 39% | 0.387 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.1 | -37.5 | 171.7 | -71.7 | 172.1 | 0 | 0 | 0 | 111 | L404 K405 V406 T411 W413 | L404-L409 HydrophobicContact CB-CD2 4.41Å; L404-L409 HydrophobicContact CD2-CD2 3.71Å; L404-L409 HydrophobicContact CD2-CG 4.14Å; K405-L409 PolarHBondContact O-N 2.93Å; V406-L409 PolarHBondContact O-N 3.47Å; V406-L409 VanDerWaalsContact O-N 3.12Å; L409-T411 PolarHBondContact O-N 2.94Å; L409-W413 PolarHBondContact O-NE1 3.22Å |
| 410 | K | 61 | Low | 65.4 | Low | 172 Ų | 172 | 117.9 Ų | 117.9 | 75% | 0.748 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -17.6 | -175 | -68.4 | -171.9 | 178.2 | -177.3 | 0 | 114.9 | ||
| 411 | T | 56.7 | Low | 63.8 | Low | 98 Ų | 98 | 122.4 Ų | 122.4 | 60% | 0.601 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -13.4 | -172.7 | 19.5 | 0 | 0 | 0 | 0 | 114.8 | S407 L409 | S407-T411 PolarHBondContact O-OG1 3.45Å; L409-T411 PolarHBondContact O-N 2.94Å |
| 412 | N | 50.7 | Low | 62.1 | Low | 93 Ų | 93 | 127.5 Ų | 127.5 | 50% | 0.497 | 60% | 0.601 | S | S | . | * | trans | -128.6 | 21.6 | -169.2 | -79.7 | -27.6 | 0 | 0 | 0 | 115.8 | S414 Y415 | N412-S414 PolarHBondContact O-N 2.86Å; N412-Y415 PolarHBondContact O-N 3.32Å; N412-Y415 VanDerWaalsContact O-N 3.08Å | ||
| 413 | W | 47.8 | Very low | 60.1 | Low | 184 Ų | 184 | 130.8 Ų | 130.8 | 70% | 0.697 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -7.8 | 178.2 | -83.3 | 94.4 | 0 | 0 | 0 | 115.1 | L409 Y415 | L409-W413 PolarHBondContact O-NE1 3.22Å; W413-Y415 VanDerWaalsContact C-N 3.32Å |
| 414 | S | 43 | Very low | 58.1 | Low | 98 Ų | 98 | 130.5 Ų | 130.5 | 69% | 0.685 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -16.5 | 171.7 | 47.8 | 0 | 0 | 0 | 0 | 114.4 | N412 | N412-S414 PolarHBondContact O-N 2.86Š|
| 415 | Y | 43.5 | Very low | 55.7 | Low | 206 Ų | 206 | 135.1 Ų | 135.1 | 81% | 0.808 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -106.3 | -5.7 | -175.3 | -88.5 | -86.8 | 0 | 0 | 0 | 115.8 | N412 W413 | N412-Y415 PolarHBondContact O-N 3.32Å; N412-Y415 VanDerWaalsContact O-N 3.08Å; W413-Y415 VanDerWaalsContact C-N 3.32Å |
| 416 | L | 39.9 | Very low | 53.2 | Low | 128 Ų | 128 | 139.7 Ų | 139.7 | 67% | 0.67 | 66% | 0.664 | S | S | * | * | trans | -109.7 | 24.9 | -179.1 | -78.6 | 164.4 | 0 | 0 | 0 | 113.4 | V418 | L416-V418 VanDerWaalsContact C-N 3.27Å; L416-V418 PolarHBondContact O-N 3.11Å | ||
| 417 | R | 32.5 | Very low | 50.8 | Low | 222 Ų | 222 | 143.4 Ų | 143.4 | 84% | 0.838 | 67% | 0.674 | S | S | * | * | trans | -68.9 | 90.1 | 165.2 | -86.9 | -170 | -177.8 | -170.1 | 1.6 | 109.9 | ||||
| 418 | V | 30.9 | Very low | 48 | Very low | 98 Ų | 98 | 148.3 Ų | 148.3 | 59% | 0.594 | 68% | 0.682 | S | S | * | * | 53.5 | 88.3 | 127 | -173.1 | 0 | 0 | 0 | 0 | 114.5 | L416 H420 | L416-V418 VanDerWaalsContact C-N 3.27Å; L416-V418 PolarHBondContact O-N 3.11Å; V418-H420 HydrophobicContact CG1-CB 4.17Å; V418-H420 WeakPolarHBondContact CG1-CD2 3.45Å | |||
| 419 | Y | 28.6 | Very low | 45.2 | Very low | 237 Ų | 237 | 154.2 Ų | 154.2 | 93% | 0.929 | 71% | 0.714 | S | S | * | * | trans | -91.8 | 103.1 | 134.3 | -79.9 | -85.4 | 0 | 0 | 0 | 105.7 | ||||
| 420 | H | 36.9 | Very low | 42.9 | Very low | 240 Ų | 240 | 161.5 Ų | 161.5 | 100% | 1.111 | 74% | 0.744 | S | S | * | * | trans | -78.7 | 0 | 158.3 | -92.2 | -55.4 | 0 | 0 | 0 | 108.9 | V418 | V418-H420 HydrophobicContact CG1-CB 4.17Å; V418-H420 WeakPolarHBondContact CG1-CD2 3.45Å |
Retrieved 420 of 420 residues in 335.9 ms
(Link to these results)