| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 64.2 | Low | 86.1 | Confident | 179 Ų | 179 | 107.9 Ų | 107.9 | 88% | 0.882 | 57% | 0.574 | S | S | * | * | 0 | -69.3 | 0 | -166.5 | 163.9 | 159.1 | 0 | 0 | 110 | Q3 V4 E5 | M1-Q3 PolarHBondContact O-N 2.82Å; M1-V4 WeakPolarHBondContact O-CA 3.47Å; M1-V4 WeakPolarHBondContact O-CB 3.47Å; M1-V4 PolarHBondContact O-N 2.99Å; M1-E5 WeakPolarHBondContact CE-OE1 3.37Å; M1-E5 PolarHBondContact O-N 3.13Å | |||
| 2 | F | 70.9 | Confident | 86.7 | Confident | 154 Ų | 154 | 105.8 Ų | 105.8 | 68% | 0.675 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -40.7 | -54.9 | 177.8 | -130.8 | -91.9 | 0 | 0 | 0 | 115 | V4 E5 E6 | F2-V4 PolarHBondContact O-N 3.1Å; F2-V4 VanDerWaalsContact O-N 3.13Å; F2-E5 PolarHBondContact O-N 3.28Å; F2-E5 VanDerWaalsContact O-N 3.1Å; F2-E6 HydrophobicContact CD1-CG 4.41Å; F2-E6 WeakPolarHBondContact CD1-OE1 3.38Å; F2-E6 PolarHBondContact O-N 3.18Å |
| 3 | Q | 82.5 | Confident | 87.4 | Confident | 157 Ų | 157 | 104.6 Ų | 104.6 | 73% | 0.734 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -57.4 | -28.7 | 177.7 | -73.6 | 179.2 | -28.4 | 0 | 0 | 114.8 | M1 L7 | M1-Q3 PolarHBondContact O-N 2.82Å; Q3-L7 WeakPolarHBondContact O-CB 3.32Å; Q3-L7 PolarHBondContact O-N 2.89Å |
| 4 | V | 87.8 | Confident | 88.1 | Confident | 94 Ų | 94 | 104.4 Ų | 104.4 | 57% | 0.57 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -78 | -39.1 | 178.6 | -178 | 0 | 0 | 0 | 0 | 110.4 | M1 F2 L7 C8 | M1-V4 WeakPolarHBondContact O-CA 3.47Å; M1-V4 WeakPolarHBondContact O-CB 3.47Å; M1-V4 PolarHBondContact O-N 2.99Å; F2-V4 PolarHBondContact O-N 3.1Å; F2-V4 VanDerWaalsContact O-N 3.13Å; V4-L7 PolarHBondContact O-N 3.46Å; V4-C8 WeakPolarHBondContact O-CB 3.13Å; V4-C8 PolarHBondContact O-N 3.06Å; V4-C8 PolarHBondContact O-SG 3.33Å |
| 5 | E | 88.5 | Confident | 88.6 | Confident | 95 Ų | 95 | 104.4 Ų | 104.4 | 44% | 0.444 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 175.5 | -69.4 | 168.6 | -172.8 | 0 | 0 | 111.4 | M1 F2 S9 | M1-E5 WeakPolarHBondContact CE-OE1 3.37Å; M1-E5 PolarHBondContact O-N 3.13Å; F2-E5 PolarHBondContact O-N 3.28Å; F2-E5 VanDerWaalsContact O-N 3.1Å; E5-S9 VanDerWaalsContact O-CB 3.32Å; E5-S9 WeakPolarHBondContact O-CB 3.38Å; E5-S9 PolarHBondContact O-N 2.88Å; E5-S9 PolarHBondContact O-OG 3.29Å |
| 6 | E | 89.6 | Confident | 89.1 | Confident | 111 Ų | 111 | 98.3 Ų | 98.3 | 52% | 0.519 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61 | -46.4 | 170.6 | -70.6 | 175.1 | 164.7 | 0 | 0 | 111.7 | F2 C8 S9 L10 | F2-E6 HydrophobicContact CD1-CG 4.41Å; F2-E6 WeakPolarHBondContact CD1-OE1 3.38Å; F2-E6 PolarHBondContact O-N 3.18Å; E6-C8 PolarHBondContact O-N 2.73Å; E6-S9 PolarHBondContact O-N 2.91Å; E6-L10 WeakPolarHBondContact O-CB 3.34Å; E6-L10 PolarHBondContact O-N 3.49Å |
| 7 | L | 91.8 | Very high | 89.5 | Confident | 129 Ų | 129 | 97.6 Ų | 97.6 | 68% | 0.675 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.1 | -41.7 | 178.8 | -143 | 87.6 | 0 | 0 | 0 | 112.3 | Q3 V4 L10 G11 | Q3-L7 WeakPolarHBondContact O-CB 3.32Å; Q3-L7 PolarHBondContact O-N 2.89Å; V4-L7 PolarHBondContact O-N 3.46Å; L7-L10 PolarHBondContact O-N 3.24Å; L7-G11 PolarHBondContact O-N 3.49Å |
| 8 | C | 92 | Very high | 89.9 | Confident | 73 Ų | 73 | 97.1 Ų | 97.1 | 49% | 0.493 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64 | -43.4 | 175.4 | -75.3 | 0 | 0 | 0 | 0 | 111.3 | V4 E6 G11 I12 | V4-C8 WeakPolarHBondContact O-CB 3.13Å; V4-C8 PolarHBondContact O-N 3.06Å; V4-C8 PolarHBondContact O-SG 3.33Å; E6-C8 PolarHBondContact O-N 2.73Å; C8-G11 PolarHBondContact O-N 2.93Å; C8-I12 WeakPolarHBondContact O-CG1 3.4Å; C8-I12 PolarHBondContact O-N 3.3Å |
| 9 | S | 91.5 | Very high | 90.3 | Very high | 59 Ų | 59 | 92.4 Ų | 92.4 | 41% | 0.413 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.1 | -43.3 | 177.3 | -58.5 | 0 | 0 | 0 | 0 | 111.3 | E5 E6 G11 I12 F13 | E5-S9 VanDerWaalsContact O-CB 3.32Å; E5-S9 WeakPolarHBondContact O-CB 3.38Å; E5-S9 PolarHBondContact O-N 2.88Å; E5-S9 PolarHBondContact O-OG 3.29Å; E6-S9 PolarHBondContact O-N 2.91Å; S9-G11 PolarHBondContact O-N 2.91Å; S9-I12 PolarHBondContact O-N 3.34Å; S9-F13 WeakPolarHBondContact O-CB 3.33Å; S9-F13 PolarHBondContact O-N 2.86Å |
| 10 | L | 93.3 | Very high | 90.7 | Very high | 97 Ų | 97 | 89.1 Ų | 89.1 | 51% | 0.508 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62 | -41.5 | 173.8 | -178.6 | 62.2 | 0 | 0 | 0 | 111.9 | E6 L7 F13 I14 | E6-L10 WeakPolarHBondContact O-CB 3.34Å; E6-L10 PolarHBondContact O-N 3.49Å; L7-L10 PolarHBondContact O-N 3.24Å; L10-F13 PolarHBondContact O-N 2.91Å; L10-I14 HydrophobicContact CD1-CD1 4.18Å; L10-I14 HydrophobicContact CD1-CG1 4.43Å; L10-I14 HydrophobicContact CG-CD1 4Å; L10-I14 VanDerWaalsContact O-CG1 3.3Å; L10-I14 WeakPolarHBondContact O-CG1 3.45Å; L10-I14 PolarHBondContact O-N 3.2Å |
| 11 | G | 94.8 | Very high | 91 | Very high | 39 Ų | 39 | 91.1 Ų | 91.1 | 40% | 0.402 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L7 C8 S9 F13 I14 L15 | L7-G11 PolarHBondContact O-N 3.49Å; C8-G11 PolarHBondContact O-N 2.93Å; S9-G11 PolarHBondContact O-N 2.91Å; G11-F13 VanDerWaalsContact C-N 3.35Å; G11-I14 PolarHBondContact O-N 3.04Å; G11-L15 WeakPolarHBondContact O-CB 3.3Å; G11-L15 PolarHBondContact O-N 3.42Å |
| 12 | I | 94 | Very high | 92.5 | Very high | 83 Ų | 83 | 83.5 Ų | 83.5 | 43% | 0.426 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.3 | -40.5 | 175.3 | -66.1 | 165.7 | 0 | 0 | 0 | 110.7 | C8 S9 L15 S16 Y313 | C8-I12 WeakPolarHBondContact O-CG1 3.4Å; C8-I12 PolarHBondContact O-N 3.3Å; S9-I12 PolarHBondContact O-N 3.34Å; I12-L15 PolarHBondContact O-N 2.92Å; I12-S16 WeakPolarHBondContact O-CB 3.36Å; I12-S16 PolarHBondContact O-N 2.85Å; I12-S16 PolarHBondContact O-OG 3.38Å; I12-Y313 HydrophobicContact CG2-CD1 3.99Å; I12-Y313 HydrophobicContact CG2-CD2 4.5Å; I12-Y313 HydrophobicContact CG2-CE1 3.64Å; I12-Y313 HydrophobicContact CG2-CE2 4.19Å; I12-Y313 HydrophobicContact CG2-CG 4.41Å |
| 13 | F | 95.7 | Very high | 93.8 | Very high | 90 Ų | 90 | 76.6 Ų | 76.6 | 40% | 0.395 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.1 | -44.7 | 176.3 | -177.4 | -102 | 0 | 0 | 0 | 112.2 | S9 L10 G11 L15 S16 L17 L314 | S9-F13 WeakPolarHBondContact O-CB 3.33Å; S9-F13 PolarHBondContact O-N 2.86Å; L10-F13 PolarHBondContact O-N 2.91Å; G11-F13 VanDerWaalsContact C-N 3.35Å; F13-L15 PolarHBondContact O-N 3.38Å; F13-S16 WeakPolarHBondContact O-CB 3.46Å; F13-S16 PolarHBondContact O-N 2.99Å; F13-L17 HydrophobicContact CD1-CD1 4.15Å; F13-L17 HydrophobicContact CE1-CD1 3.65Å; F13-L17 HydrophobicContact CE1-CG 4.21Å; F13-L17 HydrophobicContact CZ-CD1 4.13Å; F13-L17 HydrophobicContact CZ-CD2 4.36Å; F13-L17 HydrophobicContact CZ-CG 4.36Å; F13-L17 WeakPolarHBondContact O-CG 3.35Å; F13-L17 PolarHBondContact O-N 3.46Å; F13-L314 HydrophobicContact CD2-CD2 3.74Å; F13-L314 HydrophobicContact CE2-CD2 3.85Å |
| 14 | I | 96.3 | Very high | 94.5 | Very high | 102 Ų | 102 | 75.2 Ų | 75.2 | 52% | 0.523 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 175.4 | -69 | 165.6 | 0 | 0 | 0 | 111.1 | L10 G11 S16 L17 L18 | L10-I14 HydrophobicContact CD1-CD1 4.18Å; L10-I14 HydrophobicContact CD1-CG1 4.43Å; L10-I14 HydrophobicContact CG-CD1 4Å; L10-I14 VanDerWaalsContact O-CG1 3.3Å; L10-I14 WeakPolarHBondContact O-CG1 3.45Å; L10-I14 PolarHBondContact O-N 3.2Å; G11-I14 PolarHBondContact O-N 3.04Å; I14-S16 VanDerWaalsContact C-N 3.32Å; I14-S16 PolarHBondContact O-N 3.28Å; I14-L17 PolarHBondContact O-N 3.25Å; I14-L18 PolarHBondContact O-N 2.98Å |
| 15 | L | 95.8 | Very high | 95 | Very high | 104 Ų | 104 | 73.8 Ų | 73.8 | 55% | 0.545 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.7 | -39.7 | 175.6 | -178.8 | 61 | 0 | 0 | 0 | 111.8 | G11 I12 F13 L18 V19 | G11-L15 WeakPolarHBondContact O-CB 3.3Å; G11-L15 PolarHBondContact O-N 3.42Å; I12-L15 PolarHBondContact O-N 2.92Å; F13-L15 PolarHBondContact O-N 3.38Å; L15-L18 WeakPolarHBondContact O-CB 3.39Å; L15-L18 PolarHBondContact O-N 2.93Å; L15-V19 WeakPolarHBondContact O-CG2 3.33Å; L15-V19 PolarHBondContact O-N 3.04Å |
| 16 | S | 96.7 | Very high | 95.4 | Very high | 6 Ų | 6 | 69.5 Ų | 69.5 | 4% | 0.042 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60 | -44.8 | 174.4 | -67.9 | 0 | 0 | 0 | 0 | 111.7 | I12 F13 I14 L18 V19 L20 | I12-S16 WeakPolarHBondContact O-CB 3.36Å; I12-S16 PolarHBondContact O-N 2.85Å; I12-S16 PolarHBondContact O-OG 3.38Å; F13-S16 WeakPolarHBondContact O-CB 3.46Å; F13-S16 PolarHBondContact O-N 2.99Å; I14-S16 VanDerWaalsContact C-N 3.32Å; I14-S16 PolarHBondContact O-N 3.28Å; S16-L18 VanDerWaalsContact C-N 3.33Å; S16-L18 PolarHBondContact O-N 3.31Å; S16-V19 PolarHBondContact O-N 3.01Å; S16-L20 WeakPolarHBondContact O-CG 3.42Å; S16-L20 PolarHBondContact O-N 3.01Å |
| 17 | L | 96.7 | Very high | 95.8 | Very high | 87 Ų | 87 | 66 Ų | 66 | 46% | 0.455 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.2 | -39.3 | 174.7 | -67.1 | 179.9 | 0 | 0 | 0 | 112.2 | F13 I14 L20 F21 | F13-L17 HydrophobicContact CD1-CD1 4.15Å; F13-L17 HydrophobicContact CE1-CD1 3.65Å; F13-L17 HydrophobicContact CE1-CG 4.21Å; F13-L17 HydrophobicContact CZ-CD1 4.13Å; F13-L17 HydrophobicContact CZ-CD2 4.36Å; F13-L17 HydrophobicContact CZ-CG 4.36Å; F13-L17 WeakPolarHBondContact O-CG 3.35Å; F13-L17 PolarHBondContact O-N 3.46Å; I14-L17 PolarHBondContact O-N 3.25Å; L17-L20 PolarHBondContact O-N 3.49Å; L17-F21 WeakPolarHBondContact O-CB 3.33Å; L17-F21 PolarHBondContact O-N 2.85Å |
| 18 | L | 96.3 | Very high | 96.1 | Very high | 89 Ų | 89 | 63 Ų | 63 | 47% | 0.466 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 175.4 | -178.9 | 64.1 | 0 | 0 | 0 | 112.1 | I14 L15 S16 F21 L22 | I14-L18 PolarHBondContact O-N 2.98Å; L15-L18 WeakPolarHBondContact O-CB 3.39Å; L15-L18 PolarHBondContact O-N 2.93Å; S16-L18 VanDerWaalsContact C-N 3.33Å; S16-L18 PolarHBondContact O-N 3.31Å; L18-F21 PolarHBondContact O-N 3.24Å; L18-L22 HydrophobicContact CG-CD1 4.48Å; L18-L22 WeakPolarHBondContact O-CG 3.23Å; L18-L22 PolarHBondContact O-N 2.9Å |
| 19 | V | 97.4 | Very high | 96.4 | Very high | 7 Ų | 7 | 60 Ų | 60 | 4% | 0.042 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 175.7 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | L15 S16 F21 L22 Y23 L306 T310 | L15-V19 WeakPolarHBondContact O-CG2 3.33Å; L15-V19 PolarHBondContact O-N 3.04Å; S16-V19 PolarHBondContact O-N 3.01Å; V19-F21 PolarHBondContact O-N 3.12Å; V19-L22 PolarHBondContact O-N 3.5Å; V19-Y23 WeakPolarHBondContact O-CB 3.23Å; V19-Y23 PolarHBondContact O-N 3.22Å; V19-L306 HydrophobicContact CG1-CB 3.8Å; V19-L306 HydrophobicContact CG2-CB 4.14Å; V19-L306 HydrophobicContact CG2-CD1 4.49Å; V19-T310 WeakPolarHBondContact CG1-OG1 3.33Å |
| 20 | L | 97.7 | Very high | 96.7 | Very high | 27 Ų | 27 | 57.2 Ų | 57.2 | 14% | 0.141 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 174.9 | -70.8 | 176.7 | 0 | 0 | 0 | 111.6 | S16 L17 L22 Y23 F24 F307 T310 V311 L314 | S16-L20 WeakPolarHBondContact O-CG 3.42Å; S16-L20 PolarHBondContact O-N 3.01Å; L17-L20 PolarHBondContact O-N 3.49Å; L20-L22 PolarHBondContact O-N 3.35Å; L20-Y23 WeakPolarHBondContact O-CB 3.26Å; L20-Y23 PolarHBondContact O-N 3.36Å; L20-F24 HydrophobicContact CB-CD2 4.47Å; L20-F24 HydrophobicContact CB-CE2 4.4Å; L20-F24 WeakPolarHBondContact O-CD2 3.47Å; L20-F24 PolarHBondContact O-N 2.93Å; L20-F307 HydrophobicContact CD2-CD2 4.03Å; L20-F307 HydrophobicContact CD2-CE2 3.97Å; L20-T310 HydrophobicContact CD1-CG2 4.27Å; L20-T310 HydrophobicContact CD2-CG2 4.09Å; L20-T310 HydrophobicContact CG-CG2 3.8Å; L20-V311 HydrophobicContact CD2-CG2 4Å; L20-L314 HydrophobicContact CD1-CD1 3.74Å |
| 21 | F | 97.4 | Very high | 96.9 | Very high | 132 Ų | 132 | 57.7 Ų | 57.7 | 58% | 0.579 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -57.7 | -48.4 | 174.7 | 173.1 | -95.4 | 0 | 0 | 0 | 111.9 | L17 L18 V19 Y23 F24 H25 | L17-F21 WeakPolarHBondContact O-CB 3.33Å; L17-F21 PolarHBondContact O-N 2.85Å; L18-F21 PolarHBondContact O-N 3.24Å; V19-F21 PolarHBondContact O-N 3.12Å; F21-Y23 VanDerWaalsContact C-N 3.3Å; F21-Y23 PolarHBondContact O-N 3.01Å; F21-F24 PolarHBondContact O-N 3.16Å; F21-H25 WeakPolarHBondContact O-CB 3.48Å; F21-H25 PolarHBondContact O-N 3.48Å |
| 22 | L | 96.8 | Very high | 97.1 | Very high | 19 Ų | 19 | 57.9 Ų | 57.9 | 10% | 0.099 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.4 | -37.9 | 176 | -70.5 | 173.6 | 0 | 0 | 0 | 112 | L18 V19 L20 Q26 L294 L303 | L18-L22 HydrophobicContact CG-CD1 4.48Å; L18-L22 WeakPolarHBondContact O-CG 3.23Å; L18-L22 PolarHBondContact O-N 2.9Å; V19-L22 PolarHBondContact O-N 3.5Å; L20-L22 PolarHBondContact O-N 3.35Å; L22-Q26 WeakPolarHBondContact O-CG 3.41Å; L22-Q26 PolarHBondContact O-N 3.44Å; L22-L294 HydrophobicContact CD2-CD2 4.49Å; L22-L303 HydrophobicContact CB-CD1 4.31Å |
| 23 | Y | 97.9 | Very high | 97.3 | Very high | 9 Ų | 9 | 54 Ų | 54 | 4% | 0.035 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64 | -52.2 | 176.9 | -162 | -90.6 | 0 | 0 | 0 | 112.1 | V19 L20 F21 H25 Q26 I27 L303 F307 H326 W330 | V19-Y23 WeakPolarHBondContact O-CB 3.23Å; V19-Y23 PolarHBondContact O-N 3.22Å; L20-Y23 WeakPolarHBondContact O-CB 3.26Å; L20-Y23 PolarHBondContact O-N 3.36Å; F21-Y23 VanDerWaalsContact C-N 3.3Å; F21-Y23 PolarHBondContact O-N 3.01Å; Y23-H25 VanDerWaalsContact C-N 3.33Å; Y23-H25 PolarHBondContact O-N 3.23Å; Y23-Q26 PolarHBondContact O-N 3.49Å; Y23-Q26 VanDerWaalsContact O-N 3.16Å; Y23-I27 HydrophobicContact CD1-CG1 4.3Å; Y23-I27 HydrophobicContact CE1-CG1 4.31Å; Y23-I27 PolarHBondContact O-N 2.74Å; Y23-L303 HydrophobicContact CD2-CD1 4.12Å; Y23-L303 HydrophobicContact CD2-CD2 4.33Å; Y23-L303 HydrophobicContact CD2-CG 3.88Å; Y23-F307 AromaticContact CD1-CD2 3.78Å; Y23-F307 HydrophobicContact CD1-CD2 3.78Å; Y23-F307 AromaticContact CD1-CE2 3.71Å; Y23-F307 HydrophobicContact CD1-CE2 3.71Å; Y23-F307 HydrophobicContact CD1-CG 4.46Å; Y23-F307 HydrophobicContact CD1-CZ 4.34Å; Y23-F307 HydrophobicContact CD2-CB 3.5Å; Y23-F307 VanDerWaalsContact CD2-CB 3.5Å; Y23-F307 HydrophobicContact CD2-CD1 4.22Å; Y23-F307 AromaticContact CD2-CD2 3.41Å; Y23-F307 HydrophobicContact CD2-CD2 3.41Å; Y23-F307 VanDerWaalsContact CD2-CD2 3.41Å; Y23-F307 HydrophobicContact CD2-CE2 4.16Å; Y23-F307 AromaticContact CD2-CG 3.44Å; Y23-F307 HydrophobicContact CD2-CG 3.44Å; Y23-F307 VanDerWaalsContact CD2-CG 3.44Å; Y23-F307 HydrophobicContact CE1-CD1 4.49Å; Y23-F307 AromaticContact CE1-CD2 3.97Å; Y23-F307 HydrophobicContact CE1-CD2 3.97Å; Y23-F307 HydrophobicContact CE1-CE1 4.26Å; Y23-F307 AromaticContact CE1-CE2 3.71Å; Y23-F307 HydrophobicContact CE1-CE2 3.71Å; Y23-F307 HydrophobicContact CE1-CG 4.35Å; Y23-F307 AromaticContact CE1-CZ 3.87Å; Y23-F307 HydrophobicContact CE1-CZ 3.87Å; Y23-F307 HydrophobicContact CE2-CB 3.56Å; Y23-F307 AromaticContact CE2-CD1 3.59Å; Y23-F307 HydrophobicContact CE2-CD1 3.59Å; Y23-F307 AromaticContact CE2-CD2 3.6Å; Y23-F307 HydrophobicContact CE2-CD2 3.6Å; Y23-F307 HydrophobicContact CE2-CE1 4.14Å; Y23-F307 HydrophobicContact CE2-CE2 4.15Å; Y23-F307 AromaticContact CE2-CG 3.28Å; Y23-F307 HydrophobicContact CE2-CG 3.28Å; Y23-F307 HydrophobicContact CE2-CZ 4.39Å; Y23-F307 HydrophobicContact CG-CB 4.38Å; Y23-F307 AromaticContact CG-CD2 3.48Å; Y23-F307 HydrophobicContact CG-CD2 3.48Å; Y23-F307 VanDerWaalsContact CG-CD2 3.48Å; Y23-F307 AromaticContact CG-CE2 3.93Å; Y23-F307 HydrophobicContact CG-CE2 3.93Å; Y23-F307 HydrophobicContact CG-CG 4.03Å; Y23-F307 AromaticContact CZ-CD1 3.73Å; Y23-F307 AromaticContact CZ-CD2 3.87Å; Y23-F307 AromaticContact CZ-CE1 3.79Å; Y23-F307 AromaticContact CZ-CE2 3.92Å; Y23-F307 AromaticContact CZ-CG 3.77Å; Y23-F307 AromaticContact CZ-CZ 3.88Å; Y23-H326 AromaticContact CE2-CE1 3.86Å; Y23-H326 AromaticContact CE2-ND1 3.27Å; Y23-H326 VanDerWaalsContact CE2-ND1 3.27Å; Y23-H326 WeakPolarHBondContact CE2-ND1 3.44Å; Y23-H326 AromaticContact CZ-ND1 3.59Å; Y23-H326 PolarHBondContact OH-ND1 2.8Å; Y23-H326 VanDerWaalsContact OH-ND1 3.1Å; Y23-W330 HydrophobicContact CD1-CH2 4.29Å; Y23-W330 HydrophobicContact CD2-CH2 4.01Å; Y23-W330 AromaticContact CE1-CH2 3.89Å; Y23-W330 HydrophobicContact CE1-CH2 3.89Å; Y23-W330 AromaticContact CE1-CZ3 3.94Å; Y23-W330 HydrophobicContact CE1-CZ3 3.94Å; Y23-W330 AromaticContact CE2-CH2 3.59Å; Y23-W330 HydrophobicContact CE2-CH2 3.59Å; Y23-W330 HydrophobicContact CE2-CZ2 4.42Å; Y23-W330 AromaticContact CE2-CZ3 3.86Å; Y23-W330 HydrophobicContact CE2-CZ3 3.86Å; Y23-W330 HydrophobicContact CG-CH2 4.36Å; Y23-W330 AromaticContact CZ-CH2 3.53Å; Y23-W330 AromaticContact CZ-CZ3 3.43Å; Y23-W330 VanDerWaalsContact CZ-CZ3 3.43Å; Y23-W330 VanDerWaalsContact OH-CZ3 3.3Å; Y23-W330 WeakPolarHBondContact OH-CZ3 3.38Å |
| 24 | F | 97.6 | Very high | 97.4 | Very high | 128 Ų | 128 | 50.6 Ų | 50.6 | 56% | 0.561 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -62.8 | -39.1 | 177.1 | -74.2 | -63 | 0 | 0 | 0 | 111.9 | L20 F21 Q26 I27 C28 | L20-F24 HydrophobicContact CB-CD2 4.47Å; L20-F24 HydrophobicContact CB-CE2 4.4Å; L20-F24 WeakPolarHBondContact O-CD2 3.47Å; L20-F24 PolarHBondContact O-N 2.93Å; F21-F24 PolarHBondContact O-N 3.16Å; F24-Q26 VanDerWaalsContact C-N 3.33Å; F24-Q26 PolarHBondContact O-N 3.43Å; F24-I27 WeakPolarHBondContact O-CB 3.33Å; F24-I27 PolarHBondContact O-N 3.22Å; F24-I27 VanDerWaalsContact O-N 3.15Å; F24-C28 PolarHBondContact O-N 2.82Å; F24-C28 PolarHBondContact O-SG 3.04Å; F24-C28 VanDerWaalsContact O-SG 3.38Å |
| 25 | H | 96.6 | Very high | 97.5 | Very high | 63 Ų | 63 | 52.5 Ų | 52.5 | 29% | 0.292 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -56.1 | -45.1 | 172.2 | 172.7 | -80.5 | 0 | 0 | 0 | 111.9 | F21 Y23 I27 C28 F29 | F21-H25 WeakPolarHBondContact O-CB 3.48Å; F21-H25 PolarHBondContact O-N 3.48Å; Y23-H25 VanDerWaalsContact C-N 3.33Å; Y23-H25 PolarHBondContact O-N 3.23Å; H25-I27 PolarHBondContact O-N 3.16Å; H25-C28 WeakPolarHBondContact O-CB 3.38Å; H25-C28 PolarHBondContact O-N 2.96Å; H25-F29 AromaticContact CD2-CE1 3.99Å; H25-F29 AromaticContact CE1-CD1 3.69Å; H25-F29 AromaticContact CE1-CE1 3.22Å; H25-F29 WeakPolarHBondContact CE1-CE1 3.46Å; H25-F29 AromaticContact CE1-CE2 3.71Å; H25-F29 AromaticContact CE1-CZ 3.25Å; H25-F29 WeakPolarHBondContact CE1-CZ 3.22Å; H25-F29 AromaticContact ND1-CE1 3.96Å; H25-F29 AromaticContact NE2-CD1 3.98Å; H25-F29 AromaticContact NE2-CE1 3.22Å; H25-F29 WeakPolarHBondContact NE2-CE1 3.38Å; H25-F29 AromaticContact NE2-CZ 3.45Å; H25-F29 WeakPolarHBondContact NE2-CZ 3.46Å; H25-F29 WeakPolarHBondContact O-CD1 3.48Å; H25-F29 PolarHBondContact O-N 3.29Å |
| 26 | Q | 97.7 | Very high | 97.5 | Very high | 5 Ų | 5 | 47.6 Ų | 47.6 | 2% | 0.023 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.4 | -31.1 | 176.6 | -69.2 | -55.3 | -33.5 | 0 | 0 | 113.4 | L22 Y23 F24 F29 F30 R198 C298 L303 W330 | L22-Q26 WeakPolarHBondContact O-CG 3.41Å; L22-Q26 PolarHBondContact O-N 3.44Å; Y23-Q26 PolarHBondContact O-N 3.49Å; Y23-Q26 VanDerWaalsContact O-N 3.16Å; F24-Q26 VanDerWaalsContact C-N 3.33Å; F24-Q26 PolarHBondContact O-N 3.43Å; Q26-F29 PolarHBondContact O-N 2.95Å; Q26-F30 VanDerWaalsContact O-CD2 3.31Å; Q26-F30 WeakPolarHBondContact O-CD2 3.39Å; Q26-F30 PolarHBondContact O-N 3.14Å; Q26-R198 VanDerWaalsContact OE1-NH2 3.16Å; Q26-C298 HydrophobicContact CG-CB 4.36Å; Q26-C298 PolarHBondContact NE2-SG 2.81Å; Q26-L303 HydrophobicContact CB-CD2 3.97Å; Q26-L303 HydrophobicContact CG-CD2 3.63Å; Q26-W330 HydrophobicContact CB-CZ2 4.04Å |
| 27 | I | 98.1 | Very high | 97.5 | Very high | 39 Ų | 39 | 47.5 Ų | 47.5 | 20% | 0.2 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.5 | -46 | 169.5 | -64.5 | -61.9 | 0 | 0 | 0 | 110.9 | Y23 F24 H25 F29 F30 L31 L329 W330 L333 | Y23-I27 HydrophobicContact CD1-CG1 4.3Å; Y23-I27 HydrophobicContact CE1-CG1 4.31Å; Y23-I27 PolarHBondContact O-N 2.74Å; F24-I27 WeakPolarHBondContact O-CB 3.33Å; F24-I27 PolarHBondContact O-N 3.22Å; F24-I27 VanDerWaalsContact O-N 3.15Å; H25-I27 PolarHBondContact O-N 3.16Å; I27-F29 VanDerWaalsContact C-N 3.28Å; I27-F29 PolarHBondContact O-N 3.32Å; I27-F30 WeakPolarHBondContact O-CB 3.43Å; I27-F30 PolarHBondContact O-N 2.87Å; I27-F30 VanDerWaalsContact O-N 3.13Å; I27-L31 HydrophobicContact CG2-CD1 4.32Å; I27-L31 WeakPolarHBondContact O-CG 3.5Å; I27-L31 PolarHBondContact O-N 3.45Å; I27-L329 HydrophobicContact CD1-CD2 3.95Å; I27-W330 HydrophobicContact CD1-CH2 3.68Å; I27-W330 HydrophobicContact CD1-CZ3 3.59Å; I27-W330 HydrophobicContact CG1-CH2 4.22Å; I27-L333 HydrophobicContact CD1-CD1 4.4Å |
| 28 | C | 98 | Very high | 97.4 | Very high | 65 Ų | 65 | 50.4 Ų | 50.4 | 44% | 0.439 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.2 | -41.5 | 174.3 | -67.8 | 0 | 0 | 0 | 0 | 111.6 | F24 H25 F30 L31 I32 | F24-C28 PolarHBondContact O-N 2.82Å; F24-C28 PolarHBondContact O-SG 3.04Å; F24-C28 VanDerWaalsContact O-SG 3.38Å; H25-C28 WeakPolarHBondContact O-CB 3.38Å; H25-C28 PolarHBondContact O-N 2.96Å; C28-F30 PolarHBondContact O-N 2.93Å; C28-L31 PolarHBondContact O-N 2.87Å; C28-I32 VanDerWaalsContact O-CG1 3.28Å; C28-I32 WeakPolarHBondContact O-CG1 3.42Å; C28-I32 PolarHBondContact O-N 3.22Å |
| 29 | F | 98 | Very high | 97.4 | Very high | 10 Ų | 10 | 49.9 Ų | 49.9 | 4% | 0.044 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.1 | -44.3 | 174.7 | -88.2 | 36.6 | 0 | 0 | 0 | 111.7 | H25 Q26 I27 L31 S33 R198 A202 L203 L206 | H25-F29 AromaticContact CD2-CE1 3.99Å; H25-F29 AromaticContact CE1-CD1 3.69Å; H25-F29 AromaticContact CE1-CE1 3.22Å; H25-F29 WeakPolarHBondContact CE1-CE1 3.46Å; H25-F29 AromaticContact CE1-CE2 3.71Å; H25-F29 AromaticContact CE1-CZ 3.25Å; H25-F29 WeakPolarHBondContact CE1-CZ 3.22Å; H25-F29 AromaticContact ND1-CE1 3.96Å; H25-F29 AromaticContact NE2-CD1 3.98Å; H25-F29 AromaticContact NE2-CE1 3.22Å; H25-F29 WeakPolarHBondContact NE2-CE1 3.38Å; H25-F29 AromaticContact NE2-CZ 3.45Å; H25-F29 WeakPolarHBondContact NE2-CZ 3.46Å; H25-F29 WeakPolarHBondContact O-CD1 3.48Å; H25-F29 PolarHBondContact O-N 3.29Å; Q26-F29 PolarHBondContact O-N 2.95Å; I27-F29 VanDerWaalsContact C-N 3.28Å; I27-F29 PolarHBondContact O-N 3.32Å; F29-L31 PolarHBondContact O-N 3.47Å; F29-S33 VanDerWaalsContact O-CB 3.26Å; F29-S33 WeakPolarHBondContact O-CB 3.46Å; F29-S33 PolarHBondContact O-N 3.06Å; F29-S33 PolarHBondContact O-OG 3.02Å; F29-R198 HydrophobicContact CB-CG 4.2Å; F29-A202 HydrophobicContact CB-CB 3.83Å; F29-A202 HydrophobicContact CD1-CB 3.82Å; F29-A202 HydrophobicContact CD2-CB 3.53Å; F29-A202 HydrophobicContact CE1-CB 4.18Å; F29-A202 HydrophobicContact CE2-CB 3.92Å; F29-A202 HydrophobicContact CG-CB 3.45Å; F29-A202 VanDerWaalsContact CG-CB 3.45Å; F29-A202 HydrophobicContact CZ-CB 4.22Å; F29-L203 HydrophobicContact CE2-CD2 4.18Å; F29-L203 HydrophobicContact CE2-CG 4.03Å; F29-L203 HydrophobicContact CZ-CD2 3.85Å; F29-L203 HydrophobicContact CZ-CG 4.15Å; F29-L206 HydrophobicContact CD1-CD1 4.44Å; F29-L206 HydrophobicContact CE1-CD1 3.59Å; F29-L206 HydrophobicContact CZ-CD1 4.12Å |
| 30 | F | 98.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 0% | 0.004 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.3 | -46.5 | 172.7 | -87.1 | -63.4 | 0 | 0 | 0 | 112.6 | Q26 I27 C28 S33 L34 R198 W330 L333 D334 | Q26-F30 VanDerWaalsContact O-CD2 3.31Å; Q26-F30 WeakPolarHBondContact O-CD2 3.39Å; Q26-F30 PolarHBondContact O-N 3.14Å; I27-F30 WeakPolarHBondContact O-CB 3.43Å; I27-F30 PolarHBondContact O-N 2.87Å; I27-F30 VanDerWaalsContact O-N 3.13Å; C28-F30 PolarHBondContact O-N 2.93Å; F30-S33 PolarHBondContact O-N 3.28Å; F30-L34 VanDerWaalsContact O-CB 3.3Å; F30-L34 WeakPolarHBondContact O-CB 3.39Å; F30-L34 VanDerWaalsContact O-CG 3.23Å; F30-L34 WeakPolarHBondContact O-CG 3.3Å; F30-L34 PolarHBondContact O-N 2.98Å; F30-R198 HydrophobicContact CD1-CG 4.16Å; F30-R198 VanDerWaalsContact CE1-CD 3.48Å; F30-R198 HydrophobicContact CE1-CG 4.41Å; F30-R198 HydrophobicContact CG-CG 4.45Å; F30-W330 AromaticContact CE2-CD1 3.98Å; F30-W330 AromaticContact CE2-CD2 3.95Å; F30-W330 HydrophobicContact CE2-CD2 3.95Å; F30-W330 AromaticContact CE2-CE2 3.75Å; F30-W330 HydrophobicContact CE2-CG 4.11Å; F30-W330 HydrophobicContact CE2-CZ2 4.25Å; F30-W330 AromaticContact CE2-NE1 3.8Å; F30-W330 HydrophobicContact CZ-CG 4.31Å; F30-L333 HydrophobicContact CB-CD1 4.14Å; F30-L333 HydrophobicContact CD1-CB 3.62Å; F30-L333 HydrophobicContact CD1-CD1 4.29Å; F30-L333 HydrophobicContact CD1-CG 4.47Å; F30-L333 HydrophobicContact CD2-CB 4.35Å; F30-L333 HydrophobicContact CD2-CD1 3.66Å; F30-L333 HydrophobicContact CE1-CB 3.55Å; F30-L333 HydrophobicContact CE2-CB 4.28Å; F30-L333 HydrophobicContact CE2-CD1 4Å; F30-L333 HydrophobicContact CG-CB 4.03Å; F30-L333 HydrophobicContact CG-CD1 3.8Å; F30-L333 HydrophobicContact CG-CG 4.44Å; F30-L333 HydrophobicContact CZ-CB 3.9Å; F30-L333 HydrophobicContact CZ-CD1 4.47Å; F30-D334 VanDerWaalsContact CE1-OD1 3.3Å; F30-D334 WeakPolarHBondContact CE1-OD1 3.35Å |
| 31 | L | 98.2 | Very high | 97.1 | Very high | 107 Ų | 107 | 52.1 Ų | 52.1 | 56% | 0.56 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -61.7 | -48 | -179.4 | -65.7 | 174.4 | 0 | 0 | 0 | 111.9 | I27 C28 F29 S33 L34 Y35 | I27-L31 HydrophobicContact CG2-CD1 4.32Å; I27-L31 WeakPolarHBondContact O-CG 3.5Å; I27-L31 PolarHBondContact O-N 3.45Å; C28-L31 PolarHBondContact O-N 2.87Å; F29-L31 PolarHBondContact O-N 3.47Å; L31-S33 VanDerWaalsContact C-N 3.33Å; L31-S33 PolarHBondContact O-N 2.94Å; L31-L34 PolarHBondContact O-N 3.28Å; L31-Y35 WeakPolarHBondContact O-CB 3.22Å; L31-Y35 PolarHBondContact O-N 3.47Å |
| 32 | I | 98 | Very high | 96.9 | Very high | 43 Ų | 43 | 49 Ų | 49 | 22% | 0.221 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.8 | -42.2 | 177.5 | -64.9 | 165 | 0 | 0 | 0 | 110.9 | C28 T36 A202 Q205 L206 | C28-I32 VanDerWaalsContact O-CG1 3.28Å; C28-I32 WeakPolarHBondContact O-CG1 3.42Å; C28-I32 PolarHBondContact O-N 3.22Å; I32-T36 WeakPolarHBondContact O-CB 3.44Å; I32-T36 PolarHBondContact O-N 3.16Å; I32-T36 PolarHBondContact O-OG1 3.39Å; I32-A202 HydrophobicContact CB-CB 4.41Å; I32-A202 HydrophobicContact CG2-CB 4.33Å; I32-Q205 HydrophobicContact CG2-CB 3.55Å; I32-Q205 HydrophobicContact CG2-CG 3.7Å; I32-L206 HydrophobicContact CD1-CD1 4.36Å; I32-L206 HydrophobicContact CD1-CD2 4.16Å; I32-L206 HydrophobicContact CD1-CG 4.29Å |
| 33 | S | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.7 | -44 | 179.7 | -54.6 | 0 | 0 | 0 | 0 | 112 | F29 F30 L31 T36 A37 R198 T201 | F29-S33 VanDerWaalsContact O-CB 3.26Å; F29-S33 WeakPolarHBondContact O-CB 3.46Å; F29-S33 PolarHBondContact O-N 3.06Å; F29-S33 PolarHBondContact O-OG 3.02Å; F30-S33 PolarHBondContact O-N 3.28Å; L31-S33 VanDerWaalsContact C-N 3.33Å; L31-S33 PolarHBondContact O-N 2.94Å; S33-T36 PolarHBondContact O-N 2.86Å; S33-A37 VanDerWaalsContact O-CB 3.28Å; S33-A37 WeakPolarHBondContact O-CB 3.25Å; S33-A37 PolarHBondContact O-N 2.87Å; S33-R198 VanDerWaalsContact OG-CA 3.3Å; S33-R198 WeakPolarHBondContact OG-CA 3.35Å; S33-R198 PolarHBondContact OG-O 2.92Å; S33-T201 WeakPolarHBondContact CA-OG1 3.29Å; S33-T201 VanDerWaalsContact CB-OG1 3.29Å; S33-T201 WeakPolarHBondContact CB-OG1 3.47Å; S33-T201 PolarHBondContact OG-OG1 3.47Å; S33-T201 VanDerWaalsContact OG-OG1 3.11Å |
| 34 | L | 98.1 | Very high | 95.9 | Very high | 20 Ų | 20 | 59.8 Ų | 59.8 | 11% | 0.105 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.7 | -38.9 | 178.2 | -75.3 | 167.8 | 0 | 0 | 0 | 112 | F30 L31 R38 L333 T336 L337 | F30-L34 VanDerWaalsContact O-CB 3.3Å; F30-L34 WeakPolarHBondContact O-CB 3.39Å; F30-L34 VanDerWaalsContact O-CG 3.23Å; F30-L34 WeakPolarHBondContact O-CG 3.3Å; F30-L34 PolarHBondContact O-N 2.98Å; L31-L34 PolarHBondContact O-N 3.28Å; L34-R38 WeakPolarHBondContact O-CB 3.49Å; L34-R38 WeakPolarHBondContact O-CG 3.32Å; L34-R38 PolarHBondContact O-N 3.22Å; L34-R38 VanDerWaalsContact O-N 3.11Å; L34-L333 HydrophobicContact CD1-CD2 3.78Å; L34-T336 HydrophobicContact CD2-CG2 3.79Å; L34-L337 HydrophobicContact CD2-CB 3.87Å; L34-L337 HydrophobicContact CD2-CD1 4.18Å; L34-L337 HydrophobicContact CG-CD1 4.43Å |
| 35 | Y | 97.5 | Very high | 94.7 | Very high | 141 Ų | 141 | 61.1 Ų | 61.1 | 55% | 0.553 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.4 | -51.4 | 171.7 | 176 | -97.3 | 0 | 0 | 0 | 110.9 | L31 A37 R38 C39 L40 | L31-Y35 WeakPolarHBondContact O-CB 3.22Å; L31-Y35 PolarHBondContact O-N 3.47Å; Y35-A37 PolarHBondContact O-N 3.42Å; Y35-R38 PolarHBondContact O-N 2.86Å; Y35-C39 HydrophobicContact CD2-CB 4.43Å; Y35-C39 HydrophobicContact CE2-CB 4.14Å; Y35-C39 WeakPolarHBondContact O-CB 3.19Å; Y35-C39 PolarHBondContact O-N 2.83Å; Y35-L40 HydrophobicContact CE1-CD1 4.47Å |
| 36 | T | 96.3 | Very high | 93 | Very high | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -55.8 | -50.8 | 178.7 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | I32 S33 R38 L40 F41 T201 Q205 | I32-T36 WeakPolarHBondContact O-CB 3.44Å; I32-T36 PolarHBondContact O-N 3.16Å; I32-T36 PolarHBondContact O-OG1 3.39Å; S33-T36 PolarHBondContact O-N 2.86Å; T36-R38 VanDerWaalsContact C-N 3.31Å; T36-R38 PolarHBondContact O-N 3.49Å; T36-L40 HydrophobicContact CG2-CB 4.45Å; T36-L40 HydrophobicContact CG2-CD1 4.33Å; T36-L40 WeakPolarHBondContact O-CB 3.43Å; T36-L40 PolarHBondContact O-N 3.32Å; T36-F41 HydrophobicContact CG2-CE1 4.12Å; T36-F41 HydrophobicContact CG2-CZ 4.45Å; T36-F41 PolarHBondContact O-N 2.94Å; T36-T201 HydrophobicContact CG2-CG2 4.37Å; T36-Q205 VanDerWaalsContact OG1-CG 3.23Å; T36-Q205 WeakPolarHBondContact OG1-CG 3.22Å; T36-Q205 PolarHBondContact OG1-NE2 3.09Å |
| 37 | A | 97.1 | Very high | 91.3 | Very high | 5 Ų | 5 | 66.6 Ų | 66.6 | 4% | 0.041 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -68.7 | -25.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S33 Y35 F41 L337 C340 I341 | S33-A37 VanDerWaalsContact O-CB 3.28Å; S33-A37 WeakPolarHBondContact O-CB 3.25Å; S33-A37 PolarHBondContact O-N 2.87Å; Y35-A37 PolarHBondContact O-N 3.42Å; A37-F41 HydrophobicContact CB-CD2 4.35Å; A37-L337 HydrophobicContact CB-CD1 3.97Å; A37-C340 HydrophobicContact CB-CB 3.72Å; A37-I341 HydrophobicContact CB-CG1 3.7Å |
| 38 | R | 95.6 | Very high | 90 | Very high | 148 Ų | 148 | 70.7 Ų | 70.7 | 56% | 0.558 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -88.5 | -36.6 | 176 | -79.5 | -169.2 | 161.2 | 94.1 | -2 | 114.1 | L34 Y35 T36 C340 | L34-R38 WeakPolarHBondContact O-CB 3.49Å; L34-R38 WeakPolarHBondContact O-CG 3.32Å; L34-R38 PolarHBondContact O-N 3.22Å; L34-R38 VanDerWaalsContact O-N 3.11Å; Y35-R38 PolarHBondContact O-N 2.86Å; T36-R38 VanDerWaalsContact C-N 3.31Å; T36-R38 PolarHBondContact O-N 3.49Å; R38-C340 HydrophobicContact CG-CB 4.22Å; R38-C340 VanDerWaalsContact CG-SG 3.53Å |
| 39 | C | 94.4 | Very high | 88.8 | Confident | 78 Ų | 78 | 68.9 Ų | 68.9 | 53% | 0.527 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -106.9 | -26.3 | -166.9 | -62.3 | 0 | 0 | 0 | 0 | 113.7 | Y35 | Y35-C39 HydrophobicContact CD2-CB 4.43Å; Y35-C39 HydrophobicContact CE2-CB 4.14Å; Y35-C39 WeakPolarHBondContact O-CB 3.19Å; Y35-C39 PolarHBondContact O-N 2.83Å |
| 40 | L | 94.1 | Very high | 87.7 | Confident | 67 Ų | 67 | 76 Ų | 76 | 35% | 0.351 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | -16.4 | -170.8 | -53.8 | -178.7 | 0 | 0 | 0 | 113.9 | Y35 T36 S257 | Y35-L40 HydrophobicContact CE1-CD1 4.47Å; T36-L40 HydrophobicContact CG2-CB 4.45Å; T36-L40 HydrophobicContact CG2-CD1 4.33Å; T36-L40 WeakPolarHBondContact O-CB 3.43Å; T36-L40 PolarHBondContact O-N 3.32Å; L40-S257 VanDerWaalsContact O-CB 3.25Å; L40-S257 WeakPolarHBondContact O-CB 3.31Å; L40-S257 PolarHBondContact O-OG 3.19Å |
| 41 | F | 95.1 | Very high | 87.1 | Confident | 13 Ų | 13 | 80.7 Ų | 80.7 | 6% | 0.057 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -90.4 | 149 | 173.8 | -74 | -0.3 | 0 | 0 | 0 | 111.8 | T36 A37 L174 T201 L255 S257 I341 | T36-F41 HydrophobicContact CG2-CE1 4.12Å; T36-F41 HydrophobicContact CG2-CZ 4.45Å; T36-F41 PolarHBondContact O-N 2.94Å; A37-F41 HydrophobicContact CB-CD2 4.35Å; F41-L174 HydrophobicContact CE2-CD2 3.67Å; F41-L174 HydrophobicContact CZ-CB 4.17Å; F41-L174 HydrophobicContact CZ-CD2 3.86Å; F41-T201 HydrophobicContact CZ-CG2 4.03Å; F41-L255 HydrophobicContact CE1-CD2 4.02Å; F41-L255 HydrophobicContact CE1-CG 4.31Å; F41-L255 HydrophobicContact CZ-CD2 4.19Å; F41-S257 CarbonylContact C-O 3.59Å; F41-S257 VanDerWaalsContact CA-O 3.3Å; F41-S257 WeakPolarHBondContact CA-O 3.3Å; F41-I341 HydrophobicContact CD2-CG1 4.46Å; F41-I341 HydrophobicContact CE2-CG1 4.21Å; F41-I341 HydrophobicContact CE2-CG2 4.43Å |
| 42 | Y | 94.3 | Very high | 86.7 | Confident | 66 Ų | 66 | 77 Ų | 77 | 26% | 0.259 | 40% | 0.395 | S | S | . | . | S | Bend | trans | 50.1 | 48.3 | -180 | -50.4 | -80.7 | 0 | 0 | 0 | 115 | S257 Y258 P259 I341 N343 | Y42-S257 PolarHBondContact N-O 2.81Å; Y42-Y258 AromaticContact CD1-CD1 3.65Å; Y42-Y258 HydrophobicContact CD1-CD1 3.65Å; Y42-Y258 AromaticContact CD1-CE1 3.75Å; Y42-Y258 HydrophobicContact CD1-CE1 3.75Å; Y42-Y258 AromaticContact CE1-CD1 3.89Å; Y42-Y258 HydrophobicContact CE1-CD1 3.89Å; Y42-Y258 HydrophobicContact CE1-CE1 4.42Å; Y42-P259 VanDerWaalsContact OH-CD 3.25Å; Y42-P259 WeakPolarHBondContact OH-CD 3.43Å; Y42-P259 WeakPolarHBondContact OH-CG 3.45Å; Y42-I341 WeakPolarHBondContact CE2-O 3.17Å; Y42-I341 PolarHBondContact OH-O 3.03Å; Y42-N343 WeakPolarHBondContact CB-ND2 3.38Å; Y42-N343 HydrophobicContact CD2-CB 3.57Å; Y42-N343 WeakPolarHBondContact CD2-ND2 3.13Å; Y42-N343 HydrophobicContact CE2-CB 3.52Å; Y42-N343 HydrophobicContact CG-CB 4.18Å; Y42-N343 VanDerWaalsContact CG-ND2 3.27Å |
| 43 | P | 91.4 | Very high | 86.5 | Confident | 59 Ų | 59 | 76.7 Ų | 76.7 | 38% | 0.383 | 40% | 0.397 | S | S | . | . | trans | -60.6 | 151.4 | 176.7 | 29.3 | -36.4 | 0 | 0 | 0 | 110.8 | R45 S257 | P43-R45 PolarHBondContact O-N 3.4Å; P43-S257 VanDerWaalsContact CD-CB 3.49Å | ||
| 44 | K | 82 | Confident | 86.4 | Confident | 197 Ų | 197 | 77 Ų | 77 | 86% | 0.857 | 40% | 0.4 | S | S | * | . | trans | -62.3 | 130.4 | 166.5 | -66 | -177.6 | -179.5 | 179.2 | 0 | 108.3 | S46 | K44-S46 PolarHBondContact O-N 2.91Š| ||
| 45 | R | 71.6 | Confident | 86.4 | Confident | 155 Ų | 155 | 76.1 Ų | 76.1 | 59% | 0.585 | 40% | 0.395 | S | S | * | . | trans | -56.7 | 106.2 | -179.3 | -174.3 | 176.8 | -176 | 168.4 | 0.9 | 110 | P43 | P43-R45 PolarHBondContact O-N 3.4Š| ||
| 46 | S | 60.9 | Low | 86.5 | Confident | 110 Ų | 110 | 69.4 Ų | 69.4 | 77% | 0.769 | 37% | 0.369 | S | S | * | . | trans | -114.4 | -16 | -170.8 | 55.5 | 0 | 0 | 0 | 0 | 114.7 | K44 | K44-S46 PolarHBondContact O-N 2.91Š| ||
| 47 | V | 63.5 | Low | 86.6 | Confident | 74 Ų | 74 | 69.3 Ų | 69.3 | 45% | 0.448 | 37% | 0.368 | S | S | . | . | trans | -116 | 120.2 | -177.3 | -175.9 | 0 | 0 | 0 | 0 | 110.2 | L49 | V47-L49 HydrophobicContact CG1-CD2 3.98Å; V47-L49 HydrophobicContact CG1-CG 4.33Å | ||
| 48 | V | 69.4 | Low | 86.7 | Confident | 125 Ų | 125 | 69.1 Ų | 69.1 | 76% | 0.758 | 37% | 0.366 | S | S | * | . | trans | -100.9 | 110.8 | 163.2 | -179.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 49 | L | 73.7 | Confident | 86.8 | Confident | 27 Ų | 27 | 62.1 Ų | 62.1 | 14% | 0.141 | 34% | 0.34 | C | S | . | . | trans | -72.5 | 134.6 | 173.5 | -63.9 | 171.5 | 0 | 0 | 0 | 109.5 | V47 D51 V160 | V47-L49 HydrophobicContact CG1-CD2 3.98Å; V47-L49 HydrophobicContact CG1-CG 4.33Å; L49-D51 WeakPolarHBondContact CB-O 3.44Å; L49-V160 HydrophobicContact CD1-CB 4.46Å; L49-V160 HydrophobicContact CD1-CG1 3.59Å | ||
| 50 | T | 75.3 | Confident | 86.9 | Confident | 159 Ų | 159 | 59 Ų | 59 | 98% | 0.975 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -74.6 | -33.9 | -179.4 | 47.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 51 | D | 84.4 | Confident | 87 | Confident | 99 Ų | 99 | 56 Ų | 56 | 53% | 0.529 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -107.4 | 140.1 | 162.9 | -177.7 | 22.6 | 0 | 0 | 0 | 109.8 | L49 P53 R82 | L49-D51 WeakPolarHBondContact CB-O 3.44Å; D51-P53 VanDerWaalsContact O-CD 3.28Å; D51-P53 WeakPolarHBondContact O-CD 3.46Å; D51-R82 IonicContact OD1-NH1 2.83Å; D51-R82 PolarHBondContact OD1-NH1 2.94Å |
| 52 | T | 89.2 | Confident | 86.8 | Confident | 29 Ų | 29 | 60.9 Ų | 60.9 | 18% | 0.178 | 33% | 0.327 | C | S | . | . | trans | -105 | 92.4 | 176.5 | 45.7 | 0 | 0 | 0 | 0 | 108.6 | P81 R82 W157 | T52-P81 HydrophobicContact CG2-CG 3.89Å; T52-R82 VanDerWaalsContact O-CD 3.27Å; T52-R82 WeakPolarHBondContact O-CD 3.46Å; T52-R82 PolarHBondContact O-NH1 3.19Å; T52-W157 HydrophobicContact CG2-CH2 3.47Å; T52-W157 VanDerWaalsContact CG2-CH2 3.47Å; T52-W157 HydrophobicContact CG2-CZ2 4.49Å; T52-W157 HydrophobicContact CG2-CZ3 3.9Å | ||
| 53 | P | 94.3 | Very high | 86.7 | Confident | 38 Ų | 38 | 58.8 Ų | 58.8 | 25% | 0.247 | 33% | 0.326 | C | S | . | . | trans | -63.4 | 143.8 | -177.5 | 28.5 | -37.4 | 0 | 0 | 0 | 110.5 | D51 Y80 L141 V160 | D51-P53 VanDerWaalsContact O-CD 3.28Å; D51-P53 WeakPolarHBondContact O-CD 3.46Å; P53-Y80 PolarHBondContact O-OH 3.49Å; P53-L141 HydrophobicContact CB-CD1 4.2Å; P53-L141 HydrophobicContact CG-CD1 3.92Å; P53-V160 HydrophobicContact CG-CG1 3.3Å | ||
| 54 | G | 96.9 | Very high | 86.7 | Confident | 7 Ų | 7 | 59.9 Ų | 59.9 | 7% | 0.072 | 33% | 0.332 | C | S | . | . | trans | -65.8 | 145.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R82 Y139 | G54-R82 CarbonylContact C-O 3.53Å; G54-R82 VanDerWaalsContact CA-O 3.25Å; G54-R82 WeakPolarHBondContact CA-O 3.47Å; G54-Y139 VanDerWaalsContact C-CB 3.49Å; G54-Y139 VanDerWaalsContact C-CG 3.43Å; G54-Y139 WeakPolarHBondContact O-CB 3.38Å | ||
| 55 | V | 98.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 124.8 | 177 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | V57 Y80 R82 F83 E84 L141 W143 I156 V160 I217 | V55-V57 HydrophobicContact CG1-CG2 4.17Å; V55-Y80 HydrophobicContact CG2-CE1 4.13Å; V55-R82 PolarHBondContact N-O 3.25Å; V55-F83 CarbonylContact O-C 3.53Å; V55-F83 WeakPolarHBondContact O-CA 3.27Å; V55-F83 WeakPolarHBondContact O-CB 3.35Å; V55-E84 PolarHBondContact O-N 3.21Å; V55-E84 VanDerWaalsContact O-N 3.07Å; V55-L141 WeakPolarHBondContact CA-O 3.47Å; V55-L141 HydrophobicContact CG2-CB 4.23Å; V55-L141 HydrophobicContact CG2-CD1 4.4Å; V55-W143 HydrophobicContact CG1-CB 3.93Å; V55-I156 HydrophobicContact CB-CD1 4.02Å; V55-I156 HydrophobicContact CG1-CD1 4.04Å; V55-I156 HydrophobicContact CG2-CD1 4.12Å; V55-I156 HydrophobicContact CG2-CG1 4.26Å; V55-V160 HydrophobicContact CG2-CG2 3.59Å; V55-I217 HydrophobicContact CG1-CD1 3.98Å; V55-I217 HydrophobicContact CG2-CD1 4.1Å |
| 56 | S | 98.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 112.5 | 173 | -64.9 | 0 | 0 | 0 | 0 | 109.4 | E84 K138 Y139 L141 V142 W143 | S56-E84 WeakPolarHBondContact CB-OE1 3.41Å; S56-E84 PolarHBondContact OG-OE1 3.4Å; S56-K138 PolarHBondContact OG-N 2.96Å; S56-Y139 WeakPolarHBondContact OG-CD2 3.37Å; S56-Y139 PolarHBondContact OG-N 2.99Å; S56-Y139 VanDerWaalsContact OG-N 3.1Å; S56-L141 PolarHBondContact N-O 3.21Å; S56-V142 CarbonylContact O-C 3.45Å; S56-V142 VanDerWaalsContact O-CA 3.29Å; S56-V142 WeakPolarHBondContact O-CA 3.3Å; S56-W143 PolarHBondContact O-N 3.41Å |
| 57 | V | 98.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 107.9 | -177.3 | -168.6 | 0 | 0 | 0 | 0 | 110.1 | V55 E84 L85 L86 W143 | V55-V57 HydrophobicContact CG1-CG2 4.17Å; V57-E84 PolarHBondContact N-O 3.18Å; V57-L85 HydrophobicContact CB-CD2 3.81Å; V57-L85 HydrophobicContact CG1-CD2 4.34Å; V57-L85 HydrophobicContact CG2-CD2 4.02Å; V57-L86 PolarHBondContact O-N 2.69Å; V57-W143 CarbonylContact C-O 3.6Å; V57-W143 VanDerWaalsContact CA-O 3.31Å; V57-W143 WeakPolarHBondContact CA-O 3.4Å; V57-W143 HydrophobicContact CG1-CB 4.32Å; V57-W143 HydrophobicContact CG1-CD2 4.09Å; V57-W143 HydrophobicContact CG1-CE3 4.11Å; V57-W143 HydrophobicContact CG1-CG 4.21Å; V57-W143 HydrophobicContact CG2-CB 4.35Å; V57-W143 HydrophobicContact CG2-CD2 4.46Å; V57-W143 HydrophobicContact CG2-CE3 3.83Å |
| 58 | V | 98.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 118 | 177 | 174.9 | 0 | 0 | 0 | 0 | 109.3 | L86 M130 A133 V142 W143 V144 S145 | V58-L86 HydrophobicContact CG2-CB 4.36Å; V58-L86 HydrophobicContact CG2-CD1 4.17Å; V58-M130 HydrophobicContact CG1-CB 4.01Å; V58-M130 HydrophobicContact CG1-CG 3.87Å; V58-M130 HydrophobicContact CG1-SD 4.21Å; V58-A133 HydrophobicContact CG1-CB 4.13Å; V58-A133 HydrophobicContact CG2-CB 4.23Å; V58-V142 HydrophobicContact CB-CG1 4.3Å; V58-V142 HydrophobicContact CG2-CG1 3.64Å; V58-W143 PolarHBondContact N-O 2.97Å; V58-V144 HydrophobicContact CB-CG2 4.47Å; V58-V144 WeakPolarHBondContact O-CA 3.42Å; V58-S145 PolarHBondContact O-N 2.71Å |
| 59 | K | 97.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 0% | 0.004 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 95.5 | -174 | -172.3 | 152.2 | -154 | 77.7 | 0 | 110.9 | L61 L72 H75 L86 F87 C88 S145 T146 | K59-L61 HydrophobicContact CG-CD2 4.07Å; K59-L61 HydrophobicContact CG-CG 4.26Å; K59-L72 HydrophobicContact CD-CD2 3.87Å; K59-H75 PolarHBondContact NZ-CE1 2.82Å; K59-H75 PolarHBondContact NZ-NE2 3.29Å; K59-L86 PolarHBondContact N-O 2.91Å; K59-F87 HydrophobicContact CB-CD1 3.97Å; K59-F87 HydrophobicContact CB-CE1 4.34Å; K59-F87 HydrophobicContact CD-CD1 4.41Å; K59-F87 HydrophobicContact CD-CE1 4.11Å; K59-F87 HydrophobicContact CG-CD1 4.23Å; K59-F87 HydrophobicContact CG-CE1 4.43Å; K59-F87 WeakPolarHBondContact O-CA 3.44Å; K59-C88 PolarHBondContact O-N 3.08Å; K59-S145 WeakPolarHBondContact CG-O 3.48Å; K59-S145 PolarHBondContact NZ-O 3.08Å; K59-S145 PolarHBondContact NZ-OG 3.01Å; K59-T146 PolarHBondContact NZ-O 3.25Å |
| 60 | P | 96.6 | Very high | 93.6 | Very high | 12 Ų | 12 | 43.3 Ų | 43.3 | 8% | 0.078 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 136.6 | 173.5 | 30.5 | -34.8 | 0 | 0 | 0 | 111 | M126 M130 | P60-M126 HydrophobicContact CB-CG 4.3Å; P60-M126 HydrophobicContact CG-CE 4.2Å; P60-M126 HydrophobicContact CG-CG 4.1Å; P60-M126 HydrophobicContact CG-SD 4.31Å; P60-M130 HydrophobicContact CB-CG 3.76Å; P60-M130 HydrophobicContact CB-SD 4.27Å; P60-M130 HydrophobicContact CG-CG 3.89Å; P60-M130 HydrophobicContact CG-SD 3.72Å |
| 61 | L | 95.9 | Very high | 94.7 | Very high | 5 Ų | 5 | 35.8 Ų | 35.8 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 149.9 | -173.7 | -63 | 170.2 | 0 | 0 | 0 | 110.7 | K59 L68 L72 F87 C88 V89 V96 L100 | K59-L61 HydrophobicContact CG-CD2 4.07Å; K59-L61 HydrophobicContact CG-CG 4.26Å; L61-L68 HydrophobicContact CD2-CD1 4.03Å; L61-L72 HydrophobicContact CD1-CD2 3.98Å; L61-L72 HydrophobicContact CD2-CD2 4.02Å; L61-F87 HydrophobicContact CD1-CB 4.2Å; L61-F87 HydrophobicContact CD1-CD1 3.8Å; L61-F87 HydrophobicContact CD1-CG 4.35Å; L61-C88 PolarHBondContact N-O 3.37Å; L61-V89 HydrophobicContact CB-CG2 4.2Å; L61-V96 HydrophobicContact CB-CG1 4.07Å; L61-V96 HydrophobicContact CB-CG2 4.19Å; L61-V96 HydrophobicContact CD1-CG2 3.96Å; L61-V96 HydrophobicContact CG-CG2 4.45Å; L61-L100 HydrophobicContact CD1-CD1 3.79Å; L61-L100 HydrophobicContact CD1-CD2 3.96Å; L61-L100 HydrophobicContact CD1-CG 4.23Å |
| 62 | M | 92.1 | Very high | 95.3 | Very high | 115 Ų | 115 | 31 Ų | 31 | 57% | 0.567 | 17% | 0.172 | S | C | * | . | trans | -160.6 | 116.7 | 176.7 | -179.4 | -173.6 | -177.6 | 0 | 0 | 108.7 | D94 | M62-D94 WeakPolarHBondContact CA-OD2 3.45Š| ||
| 63 | G | 91.6 | Very high | 95.7 | Very high | 22 Ų | 22 | 33.3 Ų | 33.3 | 23% | 0.227 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 64.5 | -172.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L68 D94 | G63-L68 VanDerWaalsContact O-CD2 3.27Å; G63-L68 WeakPolarHBondContact O-CD2 3.39Å; G63-D94 VanDerWaalsContact CA-OD1 3.3Å; G63-D94 WeakPolarHBondContact CA-OD1 3.24Å; G63-D94 VanDerWaalsContact N-CG 3.31Å; G63-D94 PolarHBondContact N-OD1 3.44Å; G63-D94 PolarHBondContact N-OD2 2.91Å |
| 64 | V | 90.9 | Very high | 95.9 | Very high | 83 Ų | 83 | 32.2 Ų | 32.2 | 50% | 0.503 | 17% | 0.173 | S | C | . | . | trans | -119.9 | 135.2 | 176.5 | -179.5 | 0 | 0 | 0 | 0 | 109.4 | L68 P95 V96 | V64-L68 HydrophobicContact CB-CD2 4.48Å; V64-L68 HydrophobicContact CG2-CD2 4.47Å; V64-P95 HydrophobicContact CG2-CB 4.04Å; V64-P95 HydrophobicContact CG2-CG 4.18Å; V64-V96 HydrophobicContact CG2-CB 4.37Å | ||
| 65 | D | 91.3 | Very high | 95.9 | Very high | 49 Ų | 49 | 31.9 Ų | 31.9 | 26% | 0.262 | 17% | 0.169 | S | C | . | . | trans | -120.5 | 162.2 | 168.7 | 71.7 | 64.3 | 0 | 0 | 0 | 110.4 | C67 L68 | D65-C67 PolarHBondContact O-N 3.34Å; D65-C67 VanDerWaalsContact O-N 3.12Å; D65-C67 PolarHBondContact OD1-N 3.33Å; D65-L68 VanDerWaalsContact O-CB 3.25Å; D65-L68 WeakPolarHBondContact O-CB 3.26Å; D65-L68 PolarHBondContact O-N 3.11Å; D65-L68 PolarHBondContact OD1-N 3.14Å | ||
| 66 | D | 91.6 | Very high | 95.9 | Very high | 118 Ų | 118 | 32 Ų | 32 | 63% | 0.631 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -27.2 | -172.6 | -59.7 | -33.3 | 0 | 0 | 0 | 114.1 | S265 N266 | D66-S265 VanDerWaalsContact CB-OG 3.25Å; D66-S265 WeakPolarHBondContact CB-OG 3.28Å; D66-S265 PolarHBondContact OD2-OG 3.44Å; D66-N266 PolarHBondContact OD2-ND2 2.97Å |
| 67 | C | 95.6 | Very high | 95.8 | Very high | 8 Ų | 8 | 35.9 Ų | 35.9 | 5% | 0.054 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -8.3 | 178.9 | -70.1 | 0 | 0 | 0 | 0 | 112.8 | D65 H69 E70 N71 N263 S265 | D65-C67 PolarHBondContact O-N 3.34Å; D65-C67 VanDerWaalsContact O-N 3.12Å; D65-C67 PolarHBondContact OD1-N 3.33Å; C67-H69 PolarHBondContact O-N 3.14Å; C67-E70 PolarHBondContact O-N 2.99Å; C67-E70 VanDerWaalsContact O-N 3.15Å; C67-N71 PolarHBondContact O-N 3.07Å; C67-N71 PolarHBondContact O-OD1 3.23Å; C67-N263 VanDerWaalsContact CB-O 3.27Å; C67-N263 WeakPolarHBondContact CB-O 3.39Å; C67-S265 PolarHBondContact SG-N 2.94Å; C67-S265 VanDerWaalsContact SG-N 3.41Å |
| 68 | L | 95.8 | Very high | 95.7 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.3 | -38 | -168 | -172.8 | 58.9 | 0 | 0 | 0 | 113.3 | L61 G63 V64 D65 E70 N71 L72 V96 L99 | L61-L68 HydrophobicContact CD2-CD1 4.03Å; G63-L68 VanDerWaalsContact O-CD2 3.27Å; G63-L68 WeakPolarHBondContact O-CD2 3.39Å; V64-L68 HydrophobicContact CB-CD2 4.48Å; V64-L68 HydrophobicContact CG2-CD2 4.47Å; D65-L68 VanDerWaalsContact O-CB 3.25Å; D65-L68 WeakPolarHBondContact O-CB 3.26Å; D65-L68 PolarHBondContact O-N 3.11Å; D65-L68 PolarHBondContact OD1-N 3.14Å; L68-E70 PolarHBondContact O-N 2.79Å; L68-N71 PolarHBondContact O-N 2.83Å; L68-L72 HydrophobicContact CD1-CD1 4.24Å; L68-L72 HydrophobicContact CD1-CG 4.06Å; L68-L72 HydrophobicContact CD2-CD1 4.48Å; L68-L72 HydrophobicContact CG-CD1 3.91Å; L68-L72 HydrophobicContact CG-CG 4.2Å; L68-L72 WeakPolarHBondContact O-CB 3.3Å; L68-L72 VanDerWaalsContact O-CG 3.3Å; L68-L72 WeakPolarHBondContact O-CG 3.45Å; L68-L72 PolarHBondContact O-N 2.9Å; L68-V96 HydrophobicContact CD2-CG2 3.68Å; L68-L99 HydrophobicContact CD2-CD2 4.29Å; L68-L99 HydrophobicContact CG-CD2 4.18Å |
| 69 | H | 96.8 | Very high | 95.5 | Very high | 80 Ų | 80 | 42.1 Ų | 42.1 | 37% | 0.37 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60 | -46.8 | 176 | 177.5 | 96 | 0 | 0 | 0 | 111.3 | C67 K73 L99 | C67-H69 PolarHBondContact O-N 3.14Å; H69-K73 WeakPolarHBondContact O-CB 3.38Å; H69-K73 PolarHBondContact O-N 3.31Å; H69-L99 HydrophobicContact CB-CD1 4Å; H69-L99 HydrophobicContact CB-CD2 4.4Å; H69-L99 WeakPolarHBondContact ND1-CD1 3.39Å |
| 70 | E | 96.7 | Very high | 95.3 | Very high | 83 Ų | 83 | 42.5 Ų | 42.5 | 39% | 0.388 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.8 | -43.2 | 177.5 | -168 | -165.6 | 175 | 0 | 0 | 111.3 | C67 L68 K73 S74 K150 N263 | C67-E70 PolarHBondContact O-N 2.99Å; C67-E70 VanDerWaalsContact O-N 3.15Å; L68-E70 PolarHBondContact O-N 2.79Å; E70-K73 PolarHBondContact O-N 2.89Å; E70-S74 PolarHBondContact O-N 2.86Å; E70-K150 WeakPolarHBondContact OE1-CE 3.48Å; E70-K150 IonicContact OE1-NZ 2.91Å; E70-K150 PolarHBondContact OE1-NZ 3.4Å; E70-N263 PolarHBondContact OE2-ND2 2.99Å |
| 71 | N | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 179.4 | -66.8 | -11 | 0 | 0 | 0 | 111.3 | C67 L68 S74 H75 S147 N263 | C67-N71 PolarHBondContact O-N 3.07Å; C67-N71 PolarHBondContact O-OD1 3.23Å; L68-N71 PolarHBondContact O-N 2.83Å; N71-S74 PolarHBondContact O-OG 2.76Å; N71-H75 PolarHBondContact O-CE1 3.44Å; N71-H75 PolarHBondContact O-ND1 3.23Å; N71-S147 WeakPolarHBondContact CB-O 3.48Å; N71-S147 PolarHBondContact ND2-O 3.21Å; N71-S147 VanDerWaalsContact ND2-O 3.11Å; N71-N263 PolarHBondContact ND2-O 3.13Å; N71-N263 VanDerWaalsContact OD1-CB 3.25Å; N71-N263 WeakPolarHBondContact OD1-CB 3.48Å; N71-N263 PolarHBondContact OD1-ND2 3.01Å |
| 72 | L | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64 | -49.6 | 174.8 | -70.6 | 172.4 | 0 | 0 | 0 | 111.4 | K59 L61 L68 S74 H75 F76 F87 V96 L99 L100 L103 | K59-L72 HydrophobicContact CD-CD2 3.87Å; L61-L72 HydrophobicContact CD1-CD2 3.98Å; L61-L72 HydrophobicContact CD2-CD2 4.02Å; L68-L72 HydrophobicContact CD1-CD1 4.24Å; L68-L72 HydrophobicContact CD1-CG 4.06Å; L68-L72 HydrophobicContact CD2-CD1 4.48Å; L68-L72 HydrophobicContact CG-CD1 3.91Å; L68-L72 HydrophobicContact CG-CG 4.2Å; L68-L72 WeakPolarHBondContact O-CB 3.3Å; L68-L72 VanDerWaalsContact O-CG 3.3Å; L68-L72 WeakPolarHBondContact O-CG 3.45Å; L68-L72 PolarHBondContact O-N 2.9Å; L72-S74 PolarHBondContact O-N 2.83Å; L72-H75 WeakPolarHBondContact O-CB 3.42Å; L72-H75 PolarHBondContact O-N 2.89Å; L72-F76 WeakPolarHBondContact O-CD2 3.5Å; L72-F76 PolarHBondContact O-N 3.45Å; L72-F87 HydrophobicContact CD2-CD1 4.27Å; L72-F87 HydrophobicContact CD2-CE1 3.81Å; L72-V96 HydrophobicContact CD1-CG2 4.3Å; L72-L99 HydrophobicContact CD1-CD2 3.71Å; L72-L99 HydrophobicContact CD1-CG 3.89Å; L72-L100 HydrophobicContact CD1-CD2 3.96Å; L72-L100 HydrophobicContact CD2-CD2 4.01Å; L72-L103 HydrophobicContact CB-CD1 3.47Å; L72-L103 VanDerWaalsContact CB-CD1 3.47Å; L72-L103 HydrophobicContact CD1-CD1 4.12Å; L72-L103 HydrophobicContact CG-CD1 4.44Å |
| 73 | K | 97.6 | Very high | 95.4 | Very high | 76 Ų | 76 | 46.7 Ų | 46.7 | 33% | 0.33 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -53.6 | -41.5 | 178.7 | -174 | 177.3 | -174.8 | 176.8 | 0 | 112.2 | H69 E70 H75 F76 T77 L103 Y107 | H69-K73 WeakPolarHBondContact O-CB 3.38Å; H69-K73 PolarHBondContact O-N 3.31Å; E70-K73 PolarHBondContact O-N 2.89Å; K73-H75 PolarHBondContact O-N 3.49Å; K73-H75 VanDerWaalsContact O-N 3.12Å; K73-F76 PolarHBondContact O-N 3.04Å; K73-T77 HydrophobicContact CG-CG2 4.33Å; K73-T77 PolarHBondContact O-N 3.11Å; K73-T77 PolarHBondContact O-OG1 2.93Å; K73-L103 HydrophobicContact CB-CD2 4.31Å; K73-Y107 WeakPolarHBondContact CE-OH 3.44Å; K73-Y107 HydrophobicContact CG-CE2 4.29Å |
| 74 | S | 97.7 | Very high | 95.7 | Very high | 15 Ų | 15 | 45.8 Ų | 45.8 | 11% | 0.105 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60 | -22.3 | 177.3 | 71.4 | 0 | 0 | 0 | 0 | 114.6 | E70 N71 L72 A151 | E70-S74 PolarHBondContact O-N 2.86Å; N71-S74 PolarHBondContact O-OG 2.76Å; L72-S74 PolarHBondContact O-N 2.83Å; S74-A151 PolarHBondContact OG-N 3.36Å |
| 75 | H | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -84.9 | -33.9 | 174.7 | -65.8 | 61.2 | 0 | 0 | 0 | 112.2 | K59 N71 L72 K73 T77 F83 L85 S145 V149 A151 | K59-H75 PolarHBondContact NZ-CE1 2.82Å; K59-H75 PolarHBondContact NZ-NE2 3.29Å; N71-H75 PolarHBondContact O-CE1 3.44Å; N71-H75 PolarHBondContact O-ND1 3.23Å; L72-H75 WeakPolarHBondContact O-CB 3.42Å; L72-H75 PolarHBondContact O-N 2.89Å; K73-H75 PolarHBondContact O-N 3.49Å; K73-H75 VanDerWaalsContact O-N 3.12Å; H75-T77 VanDerWaalsContact C-N 3.33Å; H75-F83 WeakPolarHBondContact O-CE2 3.46Å; H75-L85 HydrophobicContact CB-CD1 4.15Å; H75-L85 HydrophobicContact CB-CD2 4.08Å; H75-S145 PolarHBondContact NE2-OG 2.69Å; H75-V149 PolarHBondContact CE1-O 3.34Å; H75-A151 VanDerWaalsContact CE1-CB 3.5Å; H75-A151 WeakPolarHBondContact CE1-CB 3.31Å |
| 76 | F | 97.8 | Very high | 96.4 | Very high | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.018 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.1 | -32.1 | 173.1 | -75.8 | -85.3 | 0 | 0 | 0 | 112 | L72 K73 L78 L85 F87 L103 Y107 V110 | L72-F76 WeakPolarHBondContact O-CD2 3.5Å; L72-F76 PolarHBondContact O-N 3.45Å; K73-F76 PolarHBondContact O-N 3.04Å; F76-L78 VanDerWaalsContact C-N 3.35Å; F76-L78 PolarHBondContact O-N 3.4Å; F76-L85 HydrophobicContact CD1-CD1 3.86Å; F76-L85 HydrophobicContact CD2-CD1 4.15Å; F76-L85 HydrophobicContact CE1-CD1 4.03Å; F76-L85 HydrophobicContact CE2-CD1 4.29Å; F76-L85 HydrophobicContact CG-CD1 3.94Å; F76-L85 HydrophobicContact CZ-CD1 4.24Å; F76-F87 HydrophobicContact CD2-CZ 4.49Å; F76-F87 HydrophobicContact CE1-CE2 4.42Å; F76-F87 HydrophobicContact CE1-CZ 4.45Å; F76-F87 HydrophobicContact CE2-CE1 4.49Å; F76-F87 HydrophobicContact CE2-CE2 4.1Å; F76-F87 AromaticContact CE2-CZ 3.54Å; F76-F87 HydrophobicContact CE2-CZ 3.54Å; F76-F87 AromaticContact CZ-CE2 3.61Å; F76-F87 HydrophobicContact CZ-CE2 3.61Å; F76-F87 AromaticContact CZ-CZ 3.53Å; F76-F87 HydrophobicContact CZ-CZ 3.53Å; F76-L103 HydrophobicContact CD2-CB 3.98Å; F76-L103 HydrophobicContact CD2-CD1 4.22Å; F76-L103 HydrophobicContact CE2-CB 3.5Å; F76-L103 VanDerWaalsContact CE2-CB 3.5Å; F76-L103 HydrophobicContact CE2-CD1 3.94Å; F76-L103 HydrophobicContact CE2-CG 4.29Å; F76-L103 HydrophobicContact CZ-CB 3.81Å; F76-Y107 HydrophobicContact CB-CD1 4.3Å; F76-Y107 HydrophobicContact CB-CD2 3.63Å; F76-Y107 HydrophobicContact CB-CE2 4.13Å; F76-Y107 HydrophobicContact CB-CG 3.75Å; F76-Y107 HydrophobicContact CD1-CD2 4.15Å; F76-Y107 HydrophobicContact CD1-CG 4.12Å; F76-Y107 AromaticContact CG-CD2 3.91Å; F76-Y107 HydrophobicContact CG-CD2 3.91Å; F76-Y107 HydrophobicContact CG-CG 4.18Å; F76-V110 HydrophobicContact CD1-CB 3.92Å; F76-V110 HydrophobicContact CD1-CG1 3.95Å; F76-V110 HydrophobicContact CD1-CG2 4.18Å; F76-V110 HydrophobicContact CE1-CB 4.49Å; F76-V110 HydrophobicContact CE1-CG1 4.46Å; F76-V110 WeakPolarHBondContact O-CG2 3.22Å |
| 77 | T | 97.1 | Very high | 96.7 | Very high | 80 Ų | 80 | 34 Ų | 34 | 49% | 0.491 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 28 | 179.9 | 65 | 0 | 0 | 0 | 0 | 113.9 | K73 H75 Y107 | K73-T77 HydrophobicContact CG-CG2 4.33Å; K73-T77 PolarHBondContact O-N 3.11Å; K73-T77 PolarHBondContact O-OG1 2.93Å; H75-T77 VanDerWaalsContact C-N 3.33Å; T77-Y107 HydrophobicContact CG2-CE1 3.74Å |
| 78 | L | 96.2 | Very high | 96.8 | Very high | 14 Ų | 14 | 33.6 Ų | 33.6 | 7% | 0.073 | 17% | 0.17 | C | C | . | . | trans | -73.7 | 124.2 | 177.6 | -85 | 171.8 | 0 | 0 | 0 | 111.6 | F76 Y80 F83 W143 A151 S152 I156 | F76-L78 VanDerWaalsContact C-N 3.35Å; F76-L78 PolarHBondContact O-N 3.4Å; L78-Y80 PolarHBondContact O-N 2.84Å; L78-F83 HydrophobicContact CB-CE1 4.16Å; L78-F83 HydrophobicContact CB-CE2 4.35Å; L78-F83 HydrophobicContact CB-CZ 3.89Å; L78-F83 HydrophobicContact CD1-CE2 4.42Å; L78-W143 HydrophobicContact CD1-CZ3 3.86Å; L78-A151 HydrophobicContact CD1-CB 4.42Å; L78-A151 HydrophobicContact CD2-CB 4.13Å; L78-A151 HydrophobicContact CG-CB 4.4Å; L78-S152 WeakPolarHBondContact CD2-O 3.38Å; L78-I156 HydrophobicContact CD2-CG2 4.18Å | ||
| 79 | D | 93.6 | Very high | 96.8 | Very high | 118 Ų | 118 | 33.5 Ų | 33.5 | 63% | 0.631 | 17% | 0.169 | S | C | * | . | trans | -77.5 | 73.5 | 168.5 | -177.6 | 33.2 | 0 | 0 | 0 | 110.8 | A153 W157 | D79-A153 HydrophobicContact CB-CB 4.11Å; D79-W157 PolarHBondContact O-NE1 3.17Å | ||
| 80 | Y | 94.6 | Very high | 96.6 | Very high | 9 Ų | 9 | 33.1 Ų | 33.1 | 4% | 0.035 | 17% | 0.167 | C | C | . | . | trans | -142.5 | 131.7 | 174.4 | -163 | -98.4 | 0 | 0 | 0 | 110.1 | P53 V55 L78 R82 F83 I156 W157 V160 | P53-Y80 PolarHBondContact O-OH 3.49Å; V55-Y80 HydrophobicContact CG2-CE1 4.13Å; L78-Y80 PolarHBondContact O-N 2.84Å; Y80-R82 WeakPolarHBondContact CE1-O 3.15Å; Y80-R82 PolarHBondContact O-N 3.3Å; Y80-F83 HydrophobicContact CD1-CB 4.32Å; Y80-F83 HydrophobicContact CD1-CD1 4.49Å; Y80-F83 WeakPolarHBondContact O-CD1 3.47Å; Y80-F83 VanDerWaalsContact O-CE1 3.28Å; Y80-F83 WeakPolarHBondContact O-CE1 3.23Å; Y80-I156 HydrophobicContact CD1-CD1 3.8Å; Y80-I156 HydrophobicContact CD1-CG1 4.4Å; Y80-I156 HydrophobicContact CD2-CD1 4.23Å; Y80-I156 HydrophobicContact CD2-CG1 4.08Å; Y80-I156 HydrophobicContact CD2-CG2 3.98Å; Y80-I156 HydrophobicContact CE1-CD1 4.36Å; Y80-I156 HydrophobicContact CE2-CG1 4.36Å; Y80-I156 HydrophobicContact CG-CD1 3.74Å; Y80-I156 HydrophobicContact CG-CG1 4.12Å; Y80-I156 HydrophobicContact CG-CG2 4.2Å; Y80-W157 HydrophobicContact CD2-CD2 4.06Å; Y80-W157 AromaticContact CD2-CE2 3.68Å; Y80-W157 HydrophobicContact CD2-CG 4.47Å; Y80-W157 AromaticContact CD2-CZ2 3.97Å; Y80-W157 HydrophobicContact CD2-CZ2 3.97Å; Y80-W157 AromaticContact CD2-NE1 3.82Å; Y80-W157 AromaticContact CE2-CD2 3.9Å; Y80-W157 HydrophobicContact CE2-CD2 3.9Å; Y80-W157 AromaticContact CE2-CE2 3.85Å; Y80-W157 HydrophobicContact CE2-CE3 4.01Å; Y80-W157 HydrophobicContact CE2-CH2 4.15Å; Y80-W157 AromaticContact CE2-CZ2 3.99Å; Y80-W157 HydrophobicContact CE2-CZ2 3.99Å; Y80-W157 HydrophobicContact CE2-CZ3 4.14Å; Y80-V160 HydrophobicContact CE2-CG2 4.45Å | ||
| 81 | P | 93 | Very high | 96.4 | Very high | 88 Ų | 88 | 33.2 Ų | 33.2 | 57% | 0.571 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -77.6 | -24.8 | -166.9 | 28.8 | -36 | 0 | 0 | 0 | 114.7 | T52 | T52-P81 HydrophobicContact CG2-CG 3.89Š|
| 82 | R | 95.2 | Very high | 96.2 | Very high | 102 Ų | 102 | 39.9 Ų | 39.9 | 39% | 0.385 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -132.9 | 80.7 | -171.3 | -71.3 | 172.4 | 68.1 | -165.1 | 14 | 111.1 | D51 T52 G54 V55 Y80 | D51-R82 IonicContact OD1-NH1 2.83Å; D51-R82 PolarHBondContact OD1-NH1 2.94Å; T52-R82 VanDerWaalsContact O-CD 3.27Å; T52-R82 WeakPolarHBondContact O-CD 3.46Å; T52-R82 PolarHBondContact O-NH1 3.19Å; G54-R82 CarbonylContact C-O 3.53Å; G54-R82 VanDerWaalsContact CA-O 3.25Å; G54-R82 WeakPolarHBondContact CA-O 3.47Å; V55-R82 PolarHBondContact N-O 3.25Å; Y80-R82 WeakPolarHBondContact CE1-O 3.15Å; Y80-R82 PolarHBondContact O-N 3.3Å |
| 83 | F | 97.6 | Very high | 96.1 | Very high | 30 Ų | 30 | 45.7 Ų | 45.7 | 13% | 0.132 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 170.2 | 172.1 | 72.5 | -75.6 | 0 | 0 | 0 | 113.4 | V55 H75 L78 Y80 L85 V110 | V55-F83 CarbonylContact O-C 3.53Å; V55-F83 WeakPolarHBondContact O-CA 3.27Å; V55-F83 WeakPolarHBondContact O-CB 3.35Å; H75-F83 WeakPolarHBondContact O-CE2 3.46Å; L78-F83 HydrophobicContact CB-CE1 4.16Å; L78-F83 HydrophobicContact CB-CE2 4.35Å; L78-F83 HydrophobicContact CB-CZ 3.89Å; L78-F83 HydrophobicContact CD1-CE2 4.42Å; Y80-F83 HydrophobicContact CD1-CB 4.32Å; Y80-F83 HydrophobicContact CD1-CD1 4.49Å; Y80-F83 WeakPolarHBondContact O-CD1 3.47Å; Y80-F83 VanDerWaalsContact O-CE1 3.28Å; Y80-F83 WeakPolarHBondContact O-CE1 3.23Å; F83-L85 HydrophobicContact CD2-CD2 3.79Å; F83-L85 HydrophobicContact CD2-CG 4.18Å; F83-L85 HydrophobicContact CE2-CD1 4.33Å; F83-L85 HydrophobicContact CE2-CD2 3.75Å; F83-L85 HydrophobicContact CE2-CG 3.91Å; F83-V110 HydrophobicContact CE2-CG1 3.82Å; F83-V110 HydrophobicContact CZ-CG1 4.02Å |
| 84 | E | 98.3 | Very high | 96 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.009 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 151.5 | 166.1 | 63.8 | 175.8 | 170.8 | 0 | 0 | 110.2 | V55 S56 V57 L86 N111 R113 K138 Y139 | V55-E84 PolarHBondContact O-N 3.21Å; V55-E84 VanDerWaalsContact O-N 3.07Å; S56-E84 WeakPolarHBondContact CB-OE1 3.41Å; S56-E84 PolarHBondContact OG-OE1 3.4Å; V57-E84 PolarHBondContact N-O 3.18Å; E84-L86 HydrophobicContact CG-CD1 4.4Å; E84-L86 HydrophobicContact CG-CD2 4.08Å; E84-L86 HydrophobicContact CG-CG 4.17Å; E84-N111 CarbonylContact C-O 3.41Å; E84-N111 VanDerWaalsContact CA-O 3.27Å; E84-N111 WeakPolarHBondContact CA-O 3.22Å; E84-N111 HydrophobicContact CB-CB 4.24Å; E84-N111 VanDerWaalsContact CB-ND2 3.3Å; E84-N111 WeakPolarHBondContact CB-ND2 3.37Å; E84-N111 PolarHBondContact OE2-ND2 3.27Å; E84-R113 IonicContact OE1-NH2 3.72Å; E84-R113 PolarHBondContact OE1-NH2 2.88Å; E84-R113 IonicContact OE2-CZ 2.64Å; E84-R113 IonicContact OE2-NE 2.94Å; E84-R113 IonicContact OE2-NH2 3.54Å; E84-R113 PolarHBondContact OE2-NH2 3.15Å; E84-K138 VanDerWaalsContact OE1-CB 3.23Å; E84-K138 WeakPolarHBondContact OE1-CB 3.31Å; E84-K138 PolarHBondContact OE1-N 2.97Å; E84-Y139 HydrophobicContact CG-CD2 4.31Å; E84-Y139 HydrophobicContact CG-CE2 4.21Å |
| 85 | L | 98.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 121.3 | 177.3 | -57.9 | -176.4 | 0 | 0 | 0 | 110.3 | V57 H75 F76 F83 F87 V110 N111 S112 R113 | V57-L85 HydrophobicContact CB-CD2 3.81Å; V57-L85 HydrophobicContact CG1-CD2 4.34Å; V57-L85 HydrophobicContact CG2-CD2 4.02Å; H75-L85 HydrophobicContact CB-CD1 4.15Å; H75-L85 HydrophobicContact CB-CD2 4.08Å; F76-L85 HydrophobicContact CD1-CD1 3.86Å; F76-L85 HydrophobicContact CD2-CD1 4.15Å; F76-L85 HydrophobicContact CE1-CD1 4.03Å; F76-L85 HydrophobicContact CE2-CD1 4.29Å; F76-L85 HydrophobicContact CG-CD1 3.94Å; F76-L85 HydrophobicContact CZ-CD1 4.24Å; F83-L85 HydrophobicContact CD2-CD2 3.79Å; F83-L85 HydrophobicContact CD2-CG 4.18Å; F83-L85 HydrophobicContact CE2-CD1 4.33Å; F83-L85 HydrophobicContact CE2-CD2 3.75Å; F83-L85 HydrophobicContact CE2-CG 3.91Å; L85-F87 HydrophobicContact CB-CE1 4.41Å; L85-F87 HydrophobicContact CB-CE2 3.81Å; L85-F87 HydrophobicContact CB-CZ 3.72Å; L85-F87 HydrophobicContact CD1-CE2 4.39Å; L85-F87 HydrophobicContact CD1-CZ 3.78Å; L85-F87 HydrophobicContact CG-CZ 4.36Å; L85-V110 HydrophobicContact CD1-CG1 3.73Å; L85-V110 HydrophobicContact CG-CG1 3.96Å; L85-N111 PolarHBondContact N-O 2.91Å; L85-S112 CarbonylContact O-C 3.5Å; L85-S112 VanDerWaalsContact O-CA 3.26Å; L85-S112 WeakPolarHBondContact O-CA 3.26Å; L85-R113 PolarHBondContact O-N 2.82Å |
| 86 | L | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 93.3 | -176.3 | -50.2 | 177.3 | 0 | 0 | 0 | 108.6 | V57 V58 K59 E84 C88 R113 F115 A133 A137 | V57-L86 PolarHBondContact O-N 2.69Å; V58-L86 HydrophobicContact CG2-CB 4.36Å; V58-L86 HydrophobicContact CG2-CD1 4.17Å; K59-L86 PolarHBondContact N-O 2.91Å; E84-L86 HydrophobicContact CG-CD1 4.4Å; E84-L86 HydrophobicContact CG-CD2 4.08Å; E84-L86 HydrophobicContact CG-CG 4.17Å; L86-C88 PolarHBondContact O-SG 3.37Å; L86-R113 HydrophobicContact CD2-CB 4.07Å; L86-F115 HydrophobicContact CB-CD2 4.44Å; L86-F115 HydrophobicContact CB-CE2 3.98Å; L86-F115 HydrophobicContact CD2-CE2 3.9Å; L86-F115 HydrophobicContact CD2-CZ 4.43Å; L86-F115 HydrophobicContact CG-CE2 4.44Å; L86-A133 HydrophobicContact CB-CB 3.87Å; L86-A133 WeakPolarHBondContact CD1-O 3.48Å; L86-A137 HydrophobicContact CD1-CB 3.89Å |
| 87 | F | 98.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 134.3 | -178.2 | -57.8 | -67.9 | 0 | 0 | 0 | 110.3 | K59 L61 L72 F76 L85 L100 R113 L114 F115 | K59-F87 HydrophobicContact CB-CD1 3.97Å; K59-F87 HydrophobicContact CB-CE1 4.34Å; K59-F87 HydrophobicContact CD-CD1 4.41Å; K59-F87 HydrophobicContact CD-CE1 4.11Å; K59-F87 HydrophobicContact CG-CD1 4.23Å; K59-F87 HydrophobicContact CG-CE1 4.43Å; K59-F87 WeakPolarHBondContact O-CA 3.44Å; L61-F87 HydrophobicContact CD1-CB 4.2Å; L61-F87 HydrophobicContact CD1-CD1 3.8Å; L61-F87 HydrophobicContact CD1-CG 4.35Å; L72-F87 HydrophobicContact CD2-CD1 4.27Å; L72-F87 HydrophobicContact CD2-CE1 3.81Å; F76-F87 HydrophobicContact CD2-CZ 4.49Å; F76-F87 HydrophobicContact CE1-CE2 4.42Å; F76-F87 HydrophobicContact CE1-CZ 4.45Å; F76-F87 HydrophobicContact CE2-CE1 4.49Å; F76-F87 HydrophobicContact CE2-CE2 4.1Å; F76-F87 AromaticContact CE2-CZ 3.54Å; F76-F87 HydrophobicContact CE2-CZ 3.54Å; F76-F87 AromaticContact CZ-CE2 3.61Å; F76-F87 HydrophobicContact CZ-CE2 3.61Å; F76-F87 AromaticContact CZ-CZ 3.53Å; F76-F87 HydrophobicContact CZ-CZ 3.53Å; L85-F87 HydrophobicContact CB-CE1 4.41Å; L85-F87 HydrophobicContact CB-CE2 3.81Å; L85-F87 HydrophobicContact CB-CZ 3.72Å; L85-F87 HydrophobicContact CD1-CE2 4.39Å; L85-F87 HydrophobicContact CD1-CZ 3.78Å; L85-F87 HydrophobicContact CG-CZ 4.36Å; F87-L100 HydrophobicContact CB-CD1 3.78Å; F87-L100 HydrophobicContact CB-CD2 4.37Å; F87-L100 HydrophobicContact CD1-CD1 4.5Å; F87-L100 HydrophobicContact CD1-CD2 3.62Å; F87-L100 HydrophobicContact CD2-CD1 4.4Å; F87-L100 HydrophobicContact CD2-CD2 3.83Å; F87-L100 HydrophobicContact CE1-CD2 3.73Å; F87-L100 HydrophobicContact CE2-CD2 3.93Å; F87-L100 HydrophobicContact CG-CD1 3.99Å; F87-L100 HydrophobicContact CG-CD2 3.66Å; F87-L100 HydrophobicContact CG-CG 4.48Å; F87-L100 HydrophobicContact CZ-CD2 3.88Å; F87-R113 PolarHBondContact N-O 3.44Å; F87-L114 HydrophobicContact CB-CD1 4.13Å; F87-F115 PolarHBondContact O-N 3.41Å |
| 88 | C | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 121.8 | -176.7 | -35.4 | 0 | 0 | 0 | 0 | 109.3 | K59 L61 L86 F115 N129 A133 | K59-C88 PolarHBondContact O-N 3.08Å; L61-C88 PolarHBondContact N-O 3.37Å; L86-C88 PolarHBondContact O-SG 3.37Å; C88-F115 WeakPolarHBondContact CA-O 3.48Å; C88-N129 VanDerWaalsContact C-ND2 3.3Å; C88-N129 WeakPolarHBondContact CA-OD1 3.3Å; C88-N129 WeakPolarHBondContact CB-O 3.43Å; C88-N129 WeakPolarHBondContact CB-OD1 3.22Å; C88-N129 PolarHBondContact O-ND2 2.67Å; C88-N129 PolarHBondContact O-OD1 2.94Å; C88-A133 WeakPolarHBondContact SG-CB 3.44Å |
| 89 | V | 95.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 132.7 | -177.7 | -177.7 | 0 | 0 | 0 | 0 | 109.9 | L61 N91 D94 V96 I97 L100 L114 F115 I116 G117 N129 | L61-V89 HydrophobicContact CB-CG2 4.2Å; V89-N91 VanDerWaalsContact CG1-O 3.29Å; V89-N91 WeakPolarHBondContact CG1-O 3.32Å; V89-D94 HydrophobicContact CG1-CB 3.43Å; V89-D94 VanDerWaalsContact CG1-CB 3.43Å; V89-V96 HydrophobicContact CG1-CG1 4.09Å; V89-V96 HydrophobicContact CG2-CG1 3.64Å; V89-I97 HydrophobicContact CG1-CD1 4.09Å; V89-I97 HydrophobicContact CG1-CG1 4.2Å; V89-I97 HydrophobicContact CG2-CG1 4.33Å; V89-L100 HydrophobicContact CG2-CD1 4.38Å; V89-L114 HydrophobicContact CB-CD1 4.22Å; V89-L114 HydrophobicContact CG2-CD1 3.63Å; V89-F115 PolarHBondContact N-O 2.98Å; V89-I116 CarbonylContact O-C 3.57Å; V89-I116 VanDerWaalsContact O-CA 3.25Å; V89-I116 WeakPolarHBondContact O-CA 3.48Å; V89-G117 PolarHBondContact O-N 3.31Å; V89-N129 PolarHBondContact N-OD1 3.46Å |
| 90 | Q | 92 | Very high | 95.9 | Very high | 71 Ų | 71 | 41.8 Ų | 41.8 | 33% | 0.332 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -72.5 | -33 | -176.8 | -167.5 | -173.3 | -12.6 | 0 | 0 | 113.5 | Y383 | Q90-Y383 PolarHBondContact NE2-OH 3.42Š|
| 91 | N | 91.8 | Very high | 96 | Very high | 85 Ų | 85 | 45.4 Ų | 45.4 | 46% | 0.455 | 24% | 0.239 | S | C | . | . | trans | -123.4 | 132.9 | -172.5 | -174.4 | -13.7 | 0 | 0 | 0 | 110.7 | V89 N93 D94 I97 | V89-N91 VanDerWaalsContact CG1-O 3.29Å; V89-N91 WeakPolarHBondContact CG1-O 3.32Å; N91-N93 PolarHBondContact O-N 3.49Å; N91-N93 PolarHBondContact OD1-N 2.85Å; N91-N93 PolarHBondContact OD1-ND2 3.23Å; N91-D94 WeakPolarHBondContact O-CB 3.28Å; N91-D94 PolarHBondContact O-N 2.88Å; N91-D94 VanDerWaalsContact O-N 3.12Å; N91-I97 WeakPolarHBondContact O-CD1 3.32Å | ||
| 92 | E | 94.3 | Very high | 96.2 | Very high | 140 Ų | 140 | 44.1 Ų | 44.1 | 65% | 0.654 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -19.1 | 176.2 | 70.5 | -167.8 | 171.1 | 0 | 0 | 114.1 | I97 I116 | E92-I97 WeakPolarHBondContact O-CD1 3.21Å; E92-I116 HydrophobicContact CB-CD1 4.37Å; E92-I116 HydrophobicContact CB-CG2 3.97Å |
| 93 | N | 95.3 | Very high | 96.3 | Very high | 122 Ų | 122 | 39.2 Ų | 39.2 | 65% | 0.652 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | 14 | 178.2 | -57.6 | -78 | 0 | 0 | 0 | 113.1 | N91 | N91-N93 PolarHBondContact O-N 3.49Å; N91-N93 PolarHBondContact OD1-N 2.85Å; N91-N93 PolarHBondContact OD1-ND2 3.23Å |
| 94 | D | 95 | Very high | 96.2 | Very high | 19 Ų | 19 | 39.4 Ų | 39.4 | 10% | 0.102 | 22% | 0.219 | C | C | . | . | trans | -69.6 | 129.2 | 177.4 | -167 | -57.7 | 0 | 0 | 0 | 110.8 | M62 G63 V89 N91 V96 I97 | M62-D94 WeakPolarHBondContact CA-OD2 3.45Å; G63-D94 VanDerWaalsContact CA-OD1 3.3Å; G63-D94 WeakPolarHBondContact CA-OD1 3.24Å; G63-D94 VanDerWaalsContact N-CG 3.31Å; G63-D94 PolarHBondContact N-OD1 3.44Å; G63-D94 PolarHBondContact N-OD2 2.91Å; V89-D94 HydrophobicContact CG1-CB 3.43Å; V89-D94 VanDerWaalsContact CG1-CB 3.43Å; N91-D94 WeakPolarHBondContact O-CB 3.28Å; N91-D94 PolarHBondContact O-N 2.88Å; N91-D94 VanDerWaalsContact O-N 3.12Å; D94-V96 HydrophobicContact CB-CG1 4.24Å; D94-V96 PolarHBondContact O-N 3.47Å; D94-V96 WeakPolarHBondContact OD1-CB 3.43Å; D94-V96 VanDerWaalsContact OD1-CG1 3.28Å; D94-V96 WeakPolarHBondContact OD1-CG1 3.27Å; D94-V96 PolarHBondContact OD1-N 3.23Å; D94-I97 HydrophobicContact CB-CD1 4.5Å; D94-I97 WeakPolarHBondContact O-CB 3.49Å; D94-I97 PolarHBondContact O-N 2.94Å | ||
| 95 | P | 95.3 | Very high | 96.2 | Very high | 80 Ų | 80 | 46.6 Ų | 46.6 | 52% | 0.519 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -16.1 | -177.5 | 24.3 | -35.4 | 0 | 0 | 0 | 114.3 | V64 I97 | V64-P95 HydrophobicContact CG2-CB 4.04Å; V64-P95 HydrophobicContact CG2-CG 4.18Å; P95-I97 PolarHBondContact O-N 2.76Å |
| 96 | V | 96.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.7 | -24.2 | 173.2 | 79.2 | 0 | 0 | 0 | 0 | 113 | L61 V64 L68 L72 V89 D94 S98 L99 L100 | L61-V96 HydrophobicContact CB-CG1 4.07Å; L61-V96 HydrophobicContact CB-CG2 4.19Å; L61-V96 HydrophobicContact CD1-CG2 3.96Å; L61-V96 HydrophobicContact CG-CG2 4.45Å; V64-V96 HydrophobicContact CG2-CB 4.37Å; L68-V96 HydrophobicContact CD2-CG2 3.68Å; L72-V96 HydrophobicContact CD1-CG2 4.3Å; V89-V96 HydrophobicContact CG1-CG1 4.09Å; V89-V96 HydrophobicContact CG2-CG1 3.64Å; D94-V96 HydrophobicContact CB-CG1 4.24Å; D94-V96 PolarHBondContact O-N 3.47Å; D94-V96 WeakPolarHBondContact OD1-CB 3.43Å; D94-V96 VanDerWaalsContact OD1-CG1 3.28Å; D94-V96 WeakPolarHBondContact OD1-CG1 3.27Å; D94-V96 PolarHBondContact OD1-N 3.23Å; V96-S98 PolarHBondContact O-N 3.46Å; V96-L99 WeakPolarHBondContact O-CB 3.39Å; V96-L99 PolarHBondContact O-N 3.4Å; V96-L100 HydrophobicContact CG2-CG 4.44Å; V96-L100 WeakPolarHBondContact O-CG 3.32Å; V96-L100 PolarHBondContact O-N 2.73Å |
| 97 | I | 97.2 | Very high | 96.1 | Very high | 16 Ų | 16 | 52.9 Ų | 52.9 | 8% | 0.082 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.1 | -42.3 | -176.2 | -67.5 | 169.9 | 0 | 0 | 0 | 111.2 | V89 N91 E92 D94 P95 L99 L100 Q101 L114 I116 | V89-I97 HydrophobicContact CG1-CD1 4.09Å; V89-I97 HydrophobicContact CG1-CG1 4.2Å; V89-I97 HydrophobicContact CG2-CG1 4.33Å; N91-I97 WeakPolarHBondContact O-CD1 3.32Å; E92-I97 WeakPolarHBondContact O-CD1 3.21Å; D94-I97 HydrophobicContact CB-CD1 4.5Å; D94-I97 WeakPolarHBondContact O-CB 3.49Å; D94-I97 PolarHBondContact O-N 2.94Å; P95-I97 PolarHBondContact O-N 2.76Å; I97-L99 VanDerWaalsContact C-N 3.31Å; I97-L99 PolarHBondContact O-N 3.25Å; I97-L100 PolarHBondContact O-N 2.92Å; I97-Q101 WeakPolarHBondContact O-CG 3.22Å; I97-Q101 PolarHBondContact O-N 3.34Å; I97-L114 HydrophobicContact CG1-CD2 4.12Å; I97-L114 HydrophobicContact CG2-CD2 3.99Å; I97-I116 HydrophobicContact CD1-CD1 4.24Å |
| 98 | S | 95.9 | Very high | 96 | Very high | 79 Ų | 79 | 57.8 Ų | 57.8 | 55% | 0.552 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -65 | -35.4 | 176.2 | -53.8 | 0 | 0 | 0 | 0 | 112.5 | V96 S102 | V96-S98 PolarHBondContact O-N 3.46Å; S98-S102 PolarHBondContact O-N 3.19Å; S98-S102 VanDerWaalsContact O-N 3.14Å |
| 99 | L | 96.4 | Very high | 95.9 | Very high | 28 Ų | 28 | 65 Ų | 65 | 15% | 0.147 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.8 | -40.3 | 173.6 | 171.2 | 59.1 | 0 | 0 | 0 | 111.5 | L68 H69 L72 V96 I97 L103 | L68-L99 HydrophobicContact CD2-CD2 4.29Å; L68-L99 HydrophobicContact CG-CD2 4.18Å; H69-L99 HydrophobicContact CB-CD1 4Å; H69-L99 HydrophobicContact CB-CD2 4.4Å; H69-L99 WeakPolarHBondContact ND1-CD1 3.39Å; L72-L99 HydrophobicContact CD1-CD2 3.71Å; L72-L99 HydrophobicContact CD1-CG 3.89Å; V96-L99 WeakPolarHBondContact O-CB 3.39Å; V96-L99 PolarHBondContact O-N 3.4Å; I97-L99 VanDerWaalsContact C-N 3.31Å; I97-L99 PolarHBondContact O-N 3.25Å; L99-L103 HydrophobicContact CD1-CD1 4.09Å; L99-L103 HydrophobicContact CD1-CG 4.4Å; L99-L103 HydrophobicContact CG-CD1 4.38Å; L99-L103 WeakPolarHBondContact O-CG 3.18Å; L99-L103 PolarHBondContact O-N 2.85Å; L99-L103 VanDerWaalsContact O-N 3.14Å |
| 100 | L | 97.1 | Very high | 95.9 | Very high | 4 Ų | 4 | 65.5 Ų | 65.5 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.7 | -43.5 | 174.7 | -71 | 173.8 | 0 | 0 | 0 | 112.3 | L61 L72 F87 V89 V96 I97 S102 L103 C104 L114 | L61-L100 HydrophobicContact CD1-CD1 3.79Å; L61-L100 HydrophobicContact CD1-CD2 3.96Å; L61-L100 HydrophobicContact CD1-CG 4.23Å; L72-L100 HydrophobicContact CD1-CD2 3.96Å; L72-L100 HydrophobicContact CD2-CD2 4.01Å; F87-L100 HydrophobicContact CB-CD1 3.78Å; F87-L100 HydrophobicContact CB-CD2 4.37Å; F87-L100 HydrophobicContact CD1-CD1 4.5Å; F87-L100 HydrophobicContact CD1-CD2 3.62Å; F87-L100 HydrophobicContact CD2-CD1 4.4Å; F87-L100 HydrophobicContact CD2-CD2 3.83Å; F87-L100 HydrophobicContact CE1-CD2 3.73Å; F87-L100 HydrophobicContact CE2-CD2 3.93Å; F87-L100 HydrophobicContact CG-CD1 3.99Å; F87-L100 HydrophobicContact CG-CD2 3.66Å; F87-L100 HydrophobicContact CG-CG 4.48Å; F87-L100 HydrophobicContact CZ-CD2 3.88Å; V89-L100 HydrophobicContact CG2-CD1 4.38Å; V96-L100 HydrophobicContact CG2-CG 4.44Å; V96-L100 WeakPolarHBondContact O-CG 3.32Å; V96-L100 PolarHBondContact O-N 2.73Å; I97-L100 PolarHBondContact O-N 2.92Å; L100-S102 PolarHBondContact O-N 3.41Å; L100-L103 PolarHBondContact O-N 3.02Å; L100-C104 PolarHBondContact O-N 2.91Å; L100-C104 PolarHBondContact O-SG 2.87Å; L100-L114 HydrophobicContact CD1-CD1 3.95Å |
| 101 | Q | 96.5 | Very high | 96.2 | Very high | 84 Ų | 84 | 65.4 Ų | 65.4 | 39% | 0.393 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -55.6 | -51.8 | 176.1 | -75.1 | 168.5 | -26.9 | 0 | 0 | 111 | I97 L103 C104 E105 | I97-Q101 WeakPolarHBondContact O-CG 3.22Å; I97-Q101 PolarHBondContact O-N 3.34Å; Q101-L103 VanDerWaalsContact C-N 3.31Å; Q101-L103 PolarHBondContact O-N 3.27Å; Q101-C104 PolarHBondContact O-N 3.22Å; Q101-C104 VanDerWaalsContact O-N 3.14Å; Q101-E105 WeakPolarHBondContact O-CG 3.11Å; Q101-E105 PolarHBondContact O-N 2.77Å |
| 102 | S | 96.8 | Very high | 96.5 | Very high | 61 Ų | 61 | 63 Ų | 63 | 43% | 0.427 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -57.9 | -39.1 | 176.8 | 177.8 | 0 | 0 | 0 | 0 | 113.2 | S98 L100 Q106 | S98-S102 PolarHBondContact O-N 3.19Å; S98-S102 VanDerWaalsContact O-N 3.14Å; L100-S102 PolarHBondContact O-N 3.41Å; S102-Q106 WeakPolarHBondContact O-CB 3.33Å; S102-Q106 PolarHBondContact O-N 3.09Å |
| 103 | L | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -72.8 | -35.9 | 176.5 | -71.8 | 170.6 | 0 | 0 | 0 | 112.8 | L72 K73 F76 L99 L100 Q101 E105 Q106 Y107 | L72-L103 HydrophobicContact CB-CD1 3.47Å; L72-L103 VanDerWaalsContact CB-CD1 3.47Å; L72-L103 HydrophobicContact CD1-CD1 4.12Å; L72-L103 HydrophobicContact CG-CD1 4.44Å; K73-L103 HydrophobicContact CB-CD2 4.31Å; F76-L103 HydrophobicContact CD2-CB 3.98Å; F76-L103 HydrophobicContact CD2-CD1 4.22Å; F76-L103 HydrophobicContact CE2-CB 3.5Å; F76-L103 VanDerWaalsContact CE2-CB 3.5Å; F76-L103 HydrophobicContact CE2-CD1 3.94Å; F76-L103 HydrophobicContact CE2-CG 4.29Å; F76-L103 HydrophobicContact CZ-CB 3.81Å; L99-L103 HydrophobicContact CD1-CD1 4.09Å; L99-L103 HydrophobicContact CD1-CG 4.4Å; L99-L103 HydrophobicContact CG-CD1 4.38Å; L99-L103 WeakPolarHBondContact O-CG 3.18Å; L99-L103 PolarHBondContact O-N 2.85Å; L99-L103 VanDerWaalsContact O-N 3.14Å; L100-L103 PolarHBondContact O-N 3.02Å; Q101-L103 VanDerWaalsContact C-N 3.31Å; Q101-L103 PolarHBondContact O-N 3.27Å; L103-E105 VanDerWaalsContact C-N 3.35Å; L103-Q106 PolarHBondContact O-N 2.83Å; L103-Y107 HydrophobicContact CD2-CD2 4.36Å; L103-Y107 HydrophobicContact CD2-CE2 4.09Å; L103-Y107 WeakPolarHBondContact O-CB 3.47Å; L103-Y107 WeakPolarHBondContact O-CD2 3.27Å; L103-Y107 PolarHBondContact O-N 2.69Å |
| 104 | C | 97 | Very high | 96.7 | Very high | 34 Ų | 34 | 56.2 Ų | 56.2 | 23% | 0.23 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.5 | -38.5 | 175 | -63.6 | 0 | 0 | 0 | 0 | 111.4 | L100 Q101 Y107 P108 | L100-C104 PolarHBondContact O-N 2.91Å; L100-C104 PolarHBondContact O-SG 2.87Å; Q101-C104 PolarHBondContact O-N 3.22Å; Q101-C104 VanDerWaalsContact O-N 3.14Å; C104-Y107 CarbonylContact O-C 3.38Å; C104-Y107 PolarHBondContact O-N 3.46Å; C104-P108 WeakPolarHBondContact O-CA 3.45Å |
| 105 | E | 97 | Very high | 96.9 | Very high | 153 Ų | 153 | 56 Ų | 56 | 72% | 0.715 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -65.1 | -37 | 172.5 | -71.7 | 170.9 | -175.2 | 0 | 0 | 112.3 | Q101 L103 | Q101-E105 WeakPolarHBondContact O-CG 3.11Å; Q101-E105 PolarHBondContact O-N 2.77Å; L103-E105 VanDerWaalsContact C-N 3.35Å |
| 106 | Q | 97.6 | Very high | 96.9 | Very high | 100 Ų | 100 | 56.1 Ų | 56.1 | 47% | 0.467 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -72.8 | -30.3 | 176.3 | -174.1 | 170.4 | 36 | 0 | 0 | 113.2 | S102 L103 P108 | S102-Q106 WeakPolarHBondContact O-CB 3.33Å; S102-Q106 PolarHBondContact O-N 3.09Å; L103-Q106 PolarHBondContact O-N 2.83Å; Q106-P108 WeakPolarHBondContact O-CD 3.25Å |
| 107 | Y | 97.6 | Very high | 96.8 | Very high | 33 Ų | 33 | 57.2 Ų | 57.2 | 13% | 0.129 | 31% | 0.308 | C | S | . | . | trans | -126 | 56.5 | -174.3 | -62.5 | -76.5 | 0 | 0 | 0 | 112.7 | K73 F76 T77 L103 C104 H109 V110 | K73-Y107 WeakPolarHBondContact CE-OH 3.44Å; K73-Y107 HydrophobicContact CG-CE2 4.29Å; F76-Y107 HydrophobicContact CB-CD1 4.3Å; F76-Y107 HydrophobicContact CB-CD2 3.63Å; F76-Y107 HydrophobicContact CB-CE2 4.13Å; F76-Y107 HydrophobicContact CB-CG 3.75Å; F76-Y107 HydrophobicContact CD1-CD2 4.15Å; F76-Y107 HydrophobicContact CD1-CG 4.12Å; F76-Y107 AromaticContact CG-CD2 3.91Å; F76-Y107 HydrophobicContact CG-CD2 3.91Å; F76-Y107 HydrophobicContact CG-CG 4.18Å; T77-Y107 HydrophobicContact CG2-CE1 3.74Å; L103-Y107 HydrophobicContact CD2-CD2 4.36Å; L103-Y107 HydrophobicContact CD2-CE2 4.09Å; L103-Y107 WeakPolarHBondContact O-CB 3.47Å; L103-Y107 WeakPolarHBondContact O-CD2 3.27Å; L103-Y107 PolarHBondContact O-N 2.69Å; C104-Y107 CarbonylContact O-C 3.38Å; C104-Y107 PolarHBondContact O-N 3.46Å; Y107-H109 AromaticContact CD1-CE1 3.99Å; Y107-H109 PolarHBondContact O-N 2.76Å; Y107-V110 WeakPolarHBondContact O-CB 3.5Å; Y107-V110 PolarHBondContact O-N 2.93Å | ||
| 108 | P | 96.5 | Very high | 96.6 | Very high | 105 Ų | 105 | 57.9 Ų | 57.9 | 68% | 0.682 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -11.8 | -170.3 | 29.5 | -37.4 | 0 | 0 | 0 | 114.2 | C104 Q106 V110 | C104-P108 WeakPolarHBondContact O-CA 3.45Å; Q106-P108 WeakPolarHBondContact O-CD 3.25Å; P108-V110 VanDerWaalsContact C-N 3.35Å |
| 109 | H | 95.1 | Very high | 96.5 | Very high | 150 Ų | 150 | 58 Ų | 58 | 69% | 0.694 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -13.8 | 173.9 | 54.7 | -88.6 | 0 | 0 | 0 | 113 | Y107 | Y107-H109 AromaticContact CD1-CE1 3.99Å; Y107-H109 PolarHBondContact O-N 2.76Å |
| 110 | V | 96.7 | Very high | 96.3 | Very high | 12 Ų | 12 | 63.8 Ų | 63.8 | 7% | 0.073 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -88.2 | 111.9 | 178.5 | -177.7 | 0 | 0 | 0 | 0 | 109.1 | F76 F83 L85 Y107 P108 S112 | F76-V110 HydrophobicContact CD1-CB 3.92Å; F76-V110 HydrophobicContact CD1-CG1 3.95Å; F76-V110 HydrophobicContact CD1-CG2 4.18Å; F76-V110 HydrophobicContact CE1-CB 4.49Å; F76-V110 HydrophobicContact CE1-CG1 4.46Å; F76-V110 WeakPolarHBondContact O-CG2 3.22Å; F83-V110 HydrophobicContact CE2-CG1 3.82Å; F83-V110 HydrophobicContact CZ-CG1 4.02Å; L85-V110 HydrophobicContact CD1-CG1 3.73Å; L85-V110 HydrophobicContact CG-CG1 3.96Å; Y107-V110 WeakPolarHBondContact O-CB 3.5Å; Y107-V110 PolarHBondContact O-N 2.93Å; P108-V110 VanDerWaalsContact C-N 3.35Å; V110-S112 PolarHBondContact O-N 3.49Å; V110-S112 PolarHBondContact O-OG 3.38Å |
| 111 | N | 96.9 | Very high | 96.1 | Very high | 68 Ų | 68 | 67.6 Ų | 67.6 | 36% | 0.364 | 38% | 0.38 | S | S | . | . | trans | -57.6 | 108.3 | 175 | 176 | 21 | 0 | 0 | 0 | 109.9 | E84 L85 | E84-N111 CarbonylContact C-O 3.41Å; E84-N111 VanDerWaalsContact CA-O 3.27Å; E84-N111 WeakPolarHBondContact CA-O 3.22Å; E84-N111 HydrophobicContact CB-CB 4.24Å; E84-N111 VanDerWaalsContact CB-ND2 3.3Å; E84-N111 WeakPolarHBondContact CB-ND2 3.37Å; E84-N111 PolarHBondContact OE2-ND2 3.27Å; L85-N111 PolarHBondContact N-O 2.91Å | ||
| 112 | S | 97.6 | Very high | 96 | Very high | 34 Ų | 34 | 64.6 Ų | 64.6 | 24% | 0.238 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 141.2 | -173.5 | 47.3 | 0 | 0 | 0 | 0 | 111 | L85 V110 | L85-S112 CarbonylContact O-C 3.5Å; L85-S112 VanDerWaalsContact O-CA 3.26Å; L85-S112 WeakPolarHBondContact O-CA 3.26Å; V110-S112 PolarHBondContact O-N 3.49Å; V110-S112 PolarHBondContact O-OG 3.38Å |
| 113 | R | 97.5 | Very high | 95.9 | Very high | 75 Ų | 75 | 63.8 Ų | 63.8 | 28% | 0.283 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 140.4 | 179.8 | -67 | -175.2 | -78.8 | 157.3 | -3 | 110.2 | E84 L85 L86 F87 F115 A136 | E84-R113 IonicContact OE1-NH2 3.72Å; E84-R113 PolarHBondContact OE1-NH2 2.88Å; E84-R113 IonicContact OE2-CZ 2.64Å; E84-R113 IonicContact OE2-NE 2.94Å; E84-R113 IonicContact OE2-NH2 3.54Å; E84-R113 PolarHBondContact OE2-NH2 3.15Å; L85-R113 PolarHBondContact O-N 2.82Å; L86-R113 HydrophobicContact CD2-CB 4.07Å; F87-R113 PolarHBondContact N-O 3.44Å; R113-F115 HydrophobicContact CB-CE2 3.73Å; R113-F115 HydrophobicContact CB-CZ 4.13Å; R113-A136 PolarHBondContact NH1-O 3.45Å; R113-A136 PolarHBondContact NH2-O 3.24Å |
| 114 | L | 97.6 | Very high | 95.7 | Very high | 46 Ų | 46 | 63.8 Ų | 63.8 | 24% | 0.241 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 127.7 | 174.2 | 174.8 | 60.8 | 0 | 0 | 0 | 109.7 | F87 V89 I97 L100 I116 | F87-L114 HydrophobicContact CB-CD1 4.13Å; V89-L114 HydrophobicContact CB-CD1 4.22Å; V89-L114 HydrophobicContact CG2-CD1 3.63Å; I97-L114 HydrophobicContact CG1-CD2 4.12Å; I97-L114 HydrophobicContact CG2-CD2 3.99Å; L100-L114 HydrophobicContact CD1-CD1 3.95Å; L114-I116 HydrophobicContact CD1-CG1 4.39Å; L114-I116 HydrophobicContact CD2-CD1 4.13Å; L114-I116 HydrophobicContact CD2-CG1 4.22Å; L114-I116 HydrophobicContact CG-CD1 4.41Å; L114-I116 HydrophobicContact CG-CG1 3.99Å |
| 115 | F | 97.6 | Very high | 95.5 | Very high | 13 Ų | 13 | 63.3 Ų | 63.3 | 6% | 0.057 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 128 | 173 | -60.7 | -91.6 | 0 | 0 | 0 | 108.4 | L86 F87 C88 V89 R113 P132 A133 A136 Y423 | L86-F115 HydrophobicContact CB-CD2 4.44Å; L86-F115 HydrophobicContact CB-CE2 3.98Å; L86-F115 HydrophobicContact CD2-CE2 3.9Å; L86-F115 HydrophobicContact CD2-CZ 4.43Å; L86-F115 HydrophobicContact CG-CE2 4.44Å; F87-F115 PolarHBondContact O-N 3.41Å; C88-F115 WeakPolarHBondContact CA-O 3.48Å; V89-F115 PolarHBondContact N-O 2.98Å; R113-F115 HydrophobicContact CB-CE2 3.73Å; R113-F115 HydrophobicContact CB-CZ 4.13Å; F115-P132 HydrophobicContact CB-CB 4.28Å; F115-P132 HydrophobicContact CD1-CB 4.12Å; F115-P132 HydrophobicContact CG-CB 4.45Å; F115-A133 HydrophobicContact CD2-CB 3.69Å; F115-A133 HydrophobicContact CE2-CB 4.01Å; F115-A133 HydrophobicContact CG-CB 4.14Å; F115-A136 HydrophobicContact CE1-CB 3.63Å; F115-A136 HydrophobicContact CZ-CB 3.61Å; F115-Y423 VanDerWaalsContact CD1-OH 3.22Å; F115-Y423 WeakPolarHBondContact CD1-OH 3.46Å; F115-Y423 WeakPolarHBondContact CE1-OH 3.45Å |
| 116 | I | 96.4 | Very high | 95.3 | Very high | 84 Ų | 84 | 57.4 Ų | 57.4 | 43% | 0.431 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 134.7 | -179.2 | -55.8 | 176.9 | 0 | 0 | 0 | 108.9 | V89 E92 I97 L114 | V89-I116 CarbonylContact O-C 3.57Å; V89-I116 VanDerWaalsContact O-CA 3.25Å; V89-I116 WeakPolarHBondContact O-CA 3.48Å; E92-I116 HydrophobicContact CB-CD1 4.37Å; E92-I116 HydrophobicContact CB-CG2 3.97Å; I97-I116 HydrophobicContact CD1-CD1 4.24Å; L114-I116 HydrophobicContact CD1-CG1 4.39Å; L114-I116 HydrophobicContact CD2-CD1 4.13Å; L114-I116 HydrophobicContact CD2-CG1 4.22Å; L114-I116 HydrophobicContact CG-CD1 4.41Å; L114-I116 HydrophobicContact CG-CG1 3.99Å |
| 117 | G | 93.7 | Very high | 95.2 | Very high | 23 Ų | 23 | 52.6 Ų | 52.6 | 24% | 0.237 | 31% | 0.307 | C | S | . | . | S | Bend | trans | 102 | -117.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V89 | V89-G117 PolarHBondContact O-N 3.31Š|
| 118 | G | 93.3 | Very high | 95.1 | Very high | 29 Ų | 29 | 52.9 Ų | 52.9 | 30% | 0.299 | 31% | 0.309 | S | S | . | . | trans | 165.2 | -161.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | H128 | G118-H128 CarbonylContact C-O 3.5Å; G118-H128 WeakPolarHBondContact CA-O 3.36Å | ||
| 119 | K | 94.5 | Very high | 94.9 | Very high | 81 Ų | 81 | 48.4 Ų | 48.4 | 35% | 0.352 | 28% | 0.279 | S | S | . | . | trans | -112.2 | 123 | 177 | -171.4 | 170.2 | -169.1 | 168.1 | 0 | 112.1 | V122 H128 V131 E135 A230 | K119-V122 HydrophobicContact CB-CG2 4.18Å; K119-V122 HydrophobicContact CG-CG2 4.44Å; K119-V122 WeakPolarHBondContact O-CB 3.3Å; K119-V122 WeakPolarHBondContact O-CG2 3.44Å; K119-V122 PolarHBondContact O-N 3.21Å; K119-H128 PolarHBondContact N-O 3.17Å; K119-H128 PolarHBondContact O-CD2 3.16Å; K119-V131 HydrophobicContact CB-CB 4.13Å; K119-V131 HydrophobicContact CB-CG1 4Å; K119-V131 HydrophobicContact CD-CB 4.4Å; K119-V131 HydrophobicContact CD-CG1 3.44Å; K119-V131 VanDerWaalsContact CD-CG1 3.44Å; K119-V131 HydrophobicContact CG-CG1 4.37Å; K119-E135 IonicContact NZ-OE1 2.84Å; K119-E135 PolarHBondContact NZ-OE1 3.04Å; K119-E135 IonicContact NZ-OE2 2.76Å; K119-A230 HydrophobicContact CD-CB 4.35Å | ||
| 120 | D | 92.2 | Very high | 95 | Very high | 151 Ų | 151 | 41.2 Ų | 41.2 | 81% | 0.807 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 151.1 | 176.6 | -65.6 | -51 | 0 | 0 | 0 | 112.8 | V122 | D120-V122 PolarHBondContact O-N 3.08Š|
| 121 | G | 91.8 | Very high | 95.1 | Very high | 84 Ų | 84 | 40.7 Ų | 40.7 | 87% | 0.866 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | -11.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 122 | V | 94.7 | Very high | 95.1 | Very high | 21 Ų | 21 | 37.8 Ų | 37.8 | 13% | 0.127 | 23% | 0.227 | C | C | . | . | trans | -83.2 | 123.6 | 176.1 | 179.3 | 0 | 0 | 0 | 0 | 111.4 | K119 D120 V127 H128 | K119-V122 HydrophobicContact CB-CG2 4.18Å; K119-V122 HydrophobicContact CG-CG2 4.44Å; K119-V122 WeakPolarHBondContact O-CB 3.3Å; K119-V122 WeakPolarHBondContact O-CG2 3.44Å; K119-V122 PolarHBondContact O-N 3.21Å; D120-V122 PolarHBondContact O-N 3.08Å; V122-V127 HydrophobicContact CG1-CB 3.94Å; V122-V127 HydrophobicContact CG1-CG1 3.85Å; V122-H128 HydrophobicContact CB-CB 4.03Å; V122-H128 HydrophobicContact CG1-CB 3.83Å; V122-H128 VanDerWaalsContact CG1-N 3.34Å | ||
| 123 | V | 94.2 | Very high | 95.1 | Very high | 44 Ų | 44 | 36.1 Ų | 36.1 | 27% | 0.267 | 22% | 0.216 | S | C | . | . | trans | -85.7 | -40.7 | -174.4 | -179 | 0 | 0 | 0 | 0 | 112.9 | G233 Y385 T393 R395 | V123-G233 PolarHBondContact N-O 3.34Å; V123-G233 VanDerWaalsContact N-O 3.12Å; V123-Y385 HydrophobicContact CG1-CD1 4.23Å; V123-Y385 HydrophobicContact CG1-CE1 4.09Å; V123-Y385 WeakPolarHBondContact O-CE1 3.45Å; V123-T393 HydrophobicContact CG1-CG2 3.84Å; V123-R395 HydrophobicContact CG1-CB 4.14Å | ||
| 124 | N | 94.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -68.6 | 121.9 | 178.3 | 176.4 | -35.1 | 0 | 0 | 0 | 109.5 | M126 V127 H128 G233 Y235 L236 E238 | N124-M126 VanDerWaalsContact C-N 3.32Å; N124-M126 PolarHBondContact O-N 3.12Å; N124-M126 WeakPolarHBondContact OD1-CB 3.41Å; N124-M126 PolarHBondContact OD1-N 3Å; N124-V127 HydrophobicContact CB-CB 4.03Å; N124-V127 HydrophobicContact CB-CG2 3.99Å; N124-V127 PolarHBondContact O-N 3.37Å; N124-V127 PolarHBondContact OD1-N 3.38Å; N124-V127 VanDerWaalsContact OD1-N 3.14Å; N124-H128 WeakPolarHBondContact O-CB 3.06Å; N124-H128 PolarHBondContact O-N 2.84Å; N124-G233 WeakPolarHBondContact CB-O 3.38Å; N124-G233 PolarHBondContact N-O 2.93Å; N124-Y235 WeakPolarHBondContact CB-O 3.29Å; N124-Y235 PolarHBondContact ND2-O 3.17Å; N124-L236 HydrophobicContact CB-CD2 4.44Å; N124-E238 PolarHBondContact ND2-OE2 3.45Å |
| 125 | P | 92.1 | Very high | 95.1 | Very high | 23 Ų | 23 | 35.4 Ų | 35.4 | 15% | 0.149 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.1 | -29.4 | -171.7 | 28.9 | -34.2 | 0 | 0 | 0 | 112.9 | N129 W380 Y385 | P125-N129 WeakPolarHBondContact O-CB 3.46Å; P125-N129 PolarHBondContact O-N 3.13Å; P125-W380 HydrophobicContact CG-CD2 4.13Å; P125-W380 HydrophobicContact CG-CE3 4.03Å; P125-W380 HydrophobicContact CG-CZ3 4.27Å; P125-Y385 WeakPolarHBondContact CD-OH 3.1Å; P125-Y385 WeakPolarHBondContact CG-OH 3.28Å |
| 126 | M | 92.9 | Very high | 95.1 | Very high | 29 Ų | 29 | 36.3 Ų | 36.3 | 14% | 0.143 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -73.9 | -46.4 | 176.5 | -177.8 | 165.5 | 141.5 | 0 | 0 | 110.4 | P60 N124 N129 M130 V144 T146 W380 | P60-M126 HydrophobicContact CB-CG 4.3Å; P60-M126 HydrophobicContact CG-CE 4.2Å; P60-M126 HydrophobicContact CG-CG 4.1Å; P60-M126 HydrophobicContact CG-SD 4.31Å; N124-M126 VanDerWaalsContact C-N 3.32Å; N124-M126 PolarHBondContact O-N 3.12Å; N124-M126 WeakPolarHBondContact OD1-CB 3.41Å; N124-M126 PolarHBondContact OD1-N 3Å; M126-N129 PolarHBondContact O-N 3.4Å; M126-M130 HydrophobicContact CE-CE 3.85Å; M126-M130 HydrophobicContact CE-SD 3.89Å; M126-M130 HydrophobicContact CG-CE 3.78Å; M126-M130 HydrophobicContact CG-SD 4.06Å; M126-M130 WeakPolarHBondContact O-CB 3.3Å; M126-M130 VanDerWaalsContact O-CG 3.27Å; M126-M130 WeakPolarHBondContact O-CG 3.47Å; M126-M130 PolarHBondContact O-N 3.1Å; M126-V144 HydrophobicContact CE-CG1 4.21Å; M126-T146 HydrophobicContact CE-CG2 3.73Å; M126-T146 HydrophobicContact SD-CG2 4.16Å; M126-W380 HydrophobicContact CB-CH2 3.95Å; M126-W380 HydrophobicContact CB-CZ2 4.14Å |
| 127 | V | 95.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.8 | -45.3 | 175.7 | -178.6 | 0 | 0 | 0 | 0 | 111.3 | V122 N124 N129 M130 V131 L229 E238 | V122-V127 HydrophobicContact CG1-CB 3.94Å; V122-V127 HydrophobicContact CG1-CG1 3.85Å; N124-V127 HydrophobicContact CB-CB 4.03Å; N124-V127 HydrophobicContact CB-CG2 3.99Å; N124-V127 PolarHBondContact O-N 3.37Å; N124-V127 PolarHBondContact OD1-N 3.38Å; N124-V127 VanDerWaalsContact OD1-N 3.14Å; V127-N129 VanDerWaalsContact C-N 3.26Å; V127-N129 PolarHBondContact O-N 2.58Å; V127-M130 HydrophobicContact CG2-CE 4.37Å; V127-M130 PolarHBondContact O-N 3.38Å; V127-M130 VanDerWaalsContact O-N 3.08Å; V127-V131 HydrophobicContact CG1-CG2 3.8Å; V127-V131 VanDerWaalsContact O-CG2 3.28Å; V127-V131 WeakPolarHBondContact O-CG2 3.37Å; V127-V131 PolarHBondContact O-N 3.41Å; V127-L229 HydrophobicContact CG1-CD1 4.44Å; V127-L229 HydrophobicContact CG1-CG 4.14Å; V127-L229 VanDerWaalsContact CG1-O 3.31Å; V127-L229 WeakPolarHBondContact CG1-O 3.48Å; V127-E238 HydrophobicContact CG2-CB 3.71Å; V127-E238 HydrophobicContact CG2-CG 3.52Å |
| 128 | H | 94.8 | Very high | 95.4 | Very high | 39 Ų | 39 | 38.3 Ų | 38.3 | 18% | 0.181 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -49 | -50 | 177.3 | 173.1 | -84.3 | 0 | 0 | 0 | 111.3 | G118 K119 V122 N124 | G118-H128 CarbonylContact C-O 3.5Å; G118-H128 WeakPolarHBondContact CA-O 3.36Å; K119-H128 PolarHBondContact N-O 3.17Å; K119-H128 PolarHBondContact O-CD2 3.16Å; V122-H128 HydrophobicContact CB-CB 4.03Å; V122-H128 HydrophobicContact CG1-CB 3.83Å; V122-H128 VanDerWaalsContact CG1-N 3.34Å; N124-H128 WeakPolarHBondContact O-CB 3.06Å; N124-H128 PolarHBondContact O-N 2.84Å |
| 129 | N | 93.9 | Very high | 95.6 | Very high | 10 Ų | 10 | 38.8 Ų | 38.8 | 5% | 0.053 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.6 | -41 | 178.6 | -172.5 | 12.7 | 0 | 0 | 0 | 112.7 | C88 V89 P125 M126 V127 | C88-N129 VanDerWaalsContact C-ND2 3.3Å; C88-N129 WeakPolarHBondContact CA-OD1 3.3Å; C88-N129 WeakPolarHBondContact CB-O 3.43Å; C88-N129 WeakPolarHBondContact CB-OD1 3.22Å; C88-N129 PolarHBondContact O-ND2 2.67Å; C88-N129 PolarHBondContact O-OD1 2.94Å; V89-N129 PolarHBondContact N-OD1 3.46Å; P125-N129 WeakPolarHBondContact O-CB 3.46Å; P125-N129 PolarHBondContact O-N 3.13Å; M126-N129 PolarHBondContact O-N 3.4Å; V127-N129 VanDerWaalsContact C-N 3.26Å; V127-N129 PolarHBondContact O-N 2.58Å |
| 130 | M | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -72.6 | -28.2 | -176.6 | -72.5 | -173.1 | -52.2 | 0 | 0 | 115.1 | V58 P60 M126 V127 A133 Y134 V144 L229 | V58-M130 HydrophobicContact CG1-CB 4.01Å; V58-M130 HydrophobicContact CG1-CG 3.87Å; V58-M130 HydrophobicContact CG1-SD 4.21Å; P60-M130 HydrophobicContact CB-CG 3.76Å; P60-M130 HydrophobicContact CB-SD 4.27Å; P60-M130 HydrophobicContact CG-CG 3.89Å; P60-M130 HydrophobicContact CG-SD 3.72Å; M126-M130 HydrophobicContact CE-CE 3.85Å; M126-M130 HydrophobicContact CE-SD 3.89Å; M126-M130 HydrophobicContact CG-CE 3.78Å; M126-M130 HydrophobicContact CG-SD 4.06Å; M126-M130 WeakPolarHBondContact O-CB 3.3Å; M126-M130 VanDerWaalsContact O-CG 3.27Å; M126-M130 WeakPolarHBondContact O-CG 3.47Å; M126-M130 PolarHBondContact O-N 3.1Å; V127-M130 HydrophobicContact CG2-CE 4.37Å; V127-M130 PolarHBondContact O-N 3.38Å; V127-M130 VanDerWaalsContact O-N 3.08Å; M130-A133 PolarHBondContact O-N 2.78Å; M130-Y134 PolarHBondContact O-N 2.89Å; M130-V144 HydrophobicContact CE-CG1 4.42Å; M130-V144 HydrophobicContact SD-CG1 3.59Å; M130-V144 VanDerWaalsContact SD-CG1 3.59Å; M130-V144 HydrophobicContact SD-CG2 4.45Å; M130-L229 HydrophobicContact CB-CD2 4Å; M130-L229 HydrophobicContact CE-CD1 4.44Å; M130-L229 HydrophobicContact CE-CD2 4.32Å |
| 131 | V | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.3 | -46.3 | -170.7 | 169.2 | 0 | 0 | 0 | 0 | 113.9 | K119 V127 A133 Y134 E135 L229 A230 | K119-V131 HydrophobicContact CB-CB 4.13Å; K119-V131 HydrophobicContact CB-CG1 4Å; K119-V131 HydrophobicContact CD-CB 4.4Å; K119-V131 HydrophobicContact CD-CG1 3.44Å; K119-V131 VanDerWaalsContact CD-CG1 3.44Å; K119-V131 HydrophobicContact CG-CG1 4.37Å; V127-V131 HydrophobicContact CG1-CG2 3.8Å; V127-V131 VanDerWaalsContact O-CG2 3.28Å; V127-V131 WeakPolarHBondContact O-CG2 3.37Å; V127-V131 PolarHBondContact O-N 3.41Å; V131-A133 VanDerWaalsContact C-N 3.29Å; V131-A133 PolarHBondContact O-N 2.89Å; V131-Y134 PolarHBondContact O-N 2.94Å; V131-Y134 VanDerWaalsContact O-N 3.14Å; V131-E135 VanDerWaalsContact CG1-CD 3.49Å; V131-E135 HydrophobicContact CG1-CG 3.97Å; V131-E135 VanDerWaalsContact CG1-OE1 3.3Å; V131-E135 WeakPolarHBondContact CG1-OE1 3.36Å; V131-E135 WeakPolarHBondContact O-CB 3.21Å; V131-E135 WeakPolarHBondContact O-CG 3.44Å; V131-E135 PolarHBondContact O-N 3.34Å; V131-L229 HydrophobicContact CG2-CB 4.46Å; V131-L229 HydrophobicContact CG2-CD2 4.33Å; V131-L229 HydrophobicContact CG2-CG 4.18Å; V131-A230 HydrophobicContact CG1-CB 4.1Å; V131-A230 HydrophobicContact CG2-CB 3.84Å |
| 132 | P | 97.8 | Very high | 96.4 | Very high | 7 Ų | 7 | 28.1 Ų | 28.1 | 5% | 0.045 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -48.3 | -46.7 | 172.5 | -34.4 | 39.3 | 0 | 0 | 0 | 114.4 | F115 A136 Y423 | F115-P132 HydrophobicContact CB-CB 4.28Å; F115-P132 HydrophobicContact CD1-CB 4.12Å; F115-P132 HydrophobicContact CG-CB 4.45Å; P132-A136 WeakPolarHBondContact O-CB 3.24Å; P132-A136 PolarHBondContact O-N 3.36Å; P132-Y423 HydrophobicContact CB-CE2 3.94Å; P132-Y423 WeakPolarHBondContact CB-OH 3.39Å; P132-Y423 HydrophobicContact CG-CE2 4.42Å; P132-Y423 PolarHBondContact O-OH 3.01Å |
| 133 | A | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -70.2 | -42.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V58 L86 C88 F115 M130 V131 A136 A137 | V58-A133 HydrophobicContact CG1-CB 4.13Å; V58-A133 HydrophobicContact CG2-CB 4.23Å; L86-A133 HydrophobicContact CB-CB 3.87Å; L86-A133 WeakPolarHBondContact CD1-O 3.48Å; C88-A133 WeakPolarHBondContact SG-CB 3.44Å; F115-A133 HydrophobicContact CD2-CB 3.69Å; F115-A133 HydrophobicContact CE2-CB 4.01Å; F115-A133 HydrophobicContact CG-CB 4.14Å; M130-A133 PolarHBondContact O-N 2.78Å; V131-A133 VanDerWaalsContact C-N 3.29Å; V131-A133 PolarHBondContact O-N 2.89Å; A133-A136 CarbonylContact O-C 3.55Å; A133-A136 PolarHBondContact O-N 2.87Å; A133-A137 PolarHBondContact O-N 3.43Å |
| 134 | Y | 97.9 | Very high | 96.8 | Very high | 8 Ų | 8 | 25.1 Ų | 25.1 | 3% | 0.031 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61 | -44.3 | 176.5 | 173.7 | -89.3 | 0 | 0 | 0 | 111.9 | M130 V131 A137 V142 K220 L223 N224 L229 | M130-Y134 PolarHBondContact O-N 2.89Å; V131-Y134 PolarHBondContact O-N 2.94Å; V131-Y134 VanDerWaalsContact O-N 3.14Å; Y134-A137 VanDerWaalsContact O-CB 3.27Å; Y134-A137 WeakPolarHBondContact O-CB 3.33Å; Y134-A137 PolarHBondContact O-N 3.1Å; Y134-V142 HydrophobicContact CD2-CG1 4.1Å; Y134-V142 HydrophobicContact CD2-CG2 4.43Å; Y134-V142 HydrophobicContact CE2-CG2 4.4Å; Y134-K220 HydrophobicContact CE1-CG 4.39Å; Y134-K220 HydrophobicContact CE2-CG 4.32Å; Y134-K220 WeakPolarHBondContact O-CE 3.05Å; Y134-K220 PolarHBondContact O-NZ 3.38Å; Y134-K220 PolarHBondContact OH-O 3.25Å; Y134-L223 HydrophobicContact CE2-CD2 3.87Å; Y134-N224 PolarHBondContact OH-OD1 3.41Å; Y134-L229 HydrophobicContact CD1-CB 3.77Å; Y134-L229 HydrophobicContact CD1-CD2 4.35Å; Y134-L229 HydrophobicContact CD2-CB 4.02Å; Y134-L229 HydrophobicContact CD2-CD2 3.8Å; Y134-L229 HydrophobicContact CE1-CB 3.89Å; Y134-L229 HydrophobicContact CE2-CB 4.14Å; Y134-L229 HydrophobicContact CG-CB 3.85Å; Y134-L229 HydrophobicContact CG-CD2 3.65Å; Y134-L229 HydrophobicContact CG-CG 4.41Å |
| 135 | E | 97 | Very high | 96.9 | Very high | 97 Ų | 97 | 25.1 Ų | 25.1 | 45% | 0.453 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -64.5 | -44.9 | 176.8 | -72 | 176.9 | 172.7 | 0 | 0 | 110.4 | K119 V131 A137 K220 | K119-E135 IonicContact NZ-OE1 2.84Å; K119-E135 PolarHBondContact NZ-OE1 3.04Å; K119-E135 IonicContact NZ-OE2 2.76Å; V131-E135 VanDerWaalsContact CG1-CD 3.49Å; V131-E135 HydrophobicContact CG1-CG 3.97Å; V131-E135 VanDerWaalsContact CG1-OE1 3.3Å; V131-E135 WeakPolarHBondContact CG1-OE1 3.36Å; V131-E135 WeakPolarHBondContact O-CB 3.21Å; V131-E135 WeakPolarHBondContact O-CG 3.44Å; V131-E135 PolarHBondContact O-N 3.34Å; E135-A137 VanDerWaalsContact C-N 3.27Å; E135-A137 PolarHBondContact O-N 3.45Å; E135-K220 PolarHBondContact O-NZ 3.2Å |
| 136 | A | 97.8 | Very high | 97.1 | Very high | 33 Ų | 33 | 25.1 Ų | 25.1 | 27% | 0.273 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -2.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | R113 F115 P132 A133 K138 | R113-A136 PolarHBondContact NH1-O 3.45Å; R113-A136 PolarHBondContact NH2-O 3.24Å; F115-A136 HydrophobicContact CE1-CB 3.63Å; F115-A136 HydrophobicContact CZ-CB 3.61Å; P132-A136 WeakPolarHBondContact O-CB 3.24Å; P132-A136 PolarHBondContact O-N 3.36Å; A133-A136 CarbonylContact O-C 3.55Å; A133-A136 PolarHBondContact O-N 2.87Å; A136-K138 PolarHBondContact O-N 3.26Å |
| 137 | A | 98.4 | Very high | 97.1 | Very high | 9 Ų | 9 | 25 Ų | 25 | 7% | 0.074 | 13% | 0.129 | C | C | . | . | trans | -63.3 | 124.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L86 A133 Y134 E135 V142 K220 | L86-A137 HydrophobicContact CD1-CB 3.89Å; A133-A137 PolarHBondContact O-N 3.43Å; Y134-A137 VanDerWaalsContact O-CB 3.27Å; Y134-A137 WeakPolarHBondContact O-CB 3.33Å; Y134-A137 PolarHBondContact O-N 3.1Å; E135-A137 VanDerWaalsContact C-N 3.27Å; E135-A137 PolarHBondContact O-N 3.45Å; A137-V142 HydrophobicContact CB-CG2 4.02Å; A137-K220 HydrophobicContact CB-CD 4.47Å; A137-K220 PolarHBondContact O-NZ 3.04Å | ||
| 138 | K | 97.9 | Very high | 97.1 | Very high | 140 Ų | 140 | 29.3 Ų | 29.3 | 61% | 0.609 | 15% | 0.145 | S | C | * | . | S | Bend | trans | -70.6 | -30.9 | -176.9 | -177.6 | -178 | 173.9 | -167.9 | 0 | 113.2 | S56 E84 A136 | S56-K138 PolarHBondContact OG-N 2.96Å; E84-K138 VanDerWaalsContact OE1-CB 3.23Å; E84-K138 WeakPolarHBondContact OE1-CB 3.31Å; E84-K138 PolarHBondContact OE1-N 2.97Å; A136-K138 PolarHBondContact O-N 3.26Å |
| 139 | Y | 98.2 | Very high | 97.2 | Very high | 39 Ų | 39 | 27.6 Ų | 27.6 | 15% | 0.153 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -110.2 | 158 | -171.6 | -53.1 | -62.7 | 0 | 0 | 0 | 112.6 | G54 S56 E84 | G54-Y139 VanDerWaalsContact C-CB 3.49Å; G54-Y139 VanDerWaalsContact C-CG 3.43Å; G54-Y139 WeakPolarHBondContact O-CB 3.38Å; S56-Y139 WeakPolarHBondContact OG-CD2 3.37Å; S56-Y139 PolarHBondContact OG-N 2.99Å; S56-Y139 VanDerWaalsContact OG-N 3.1Å; E84-Y139 HydrophobicContact CG-CD2 4.31Å; E84-Y139 HydrophobicContact CG-CE2 4.21Å |
| 140 | N | 98 | Very high | 97.2 | Very high | 77 Ų | 77 | 31.3 Ų | 31.3 | 41% | 0.412 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -73.8 | -30.4 | 179.2 | -170.4 | 38.3 | 0 | 0 | 0 | 112.7 | K219 K220 S221 | N140-K219 WeakPolarHBondContact O-CA 3.44Å; N140-K220 WeakPolarHBondContact O-CB 3.33Å; N140-K220 PolarHBondContact O-N 2.83Å; N140-K220 PolarHBondContact OD1-N 3.03Å; N140-S221 PolarHBondContact ND2-OG 3.39Å; N140-S221 WeakPolarHBondContact OD1-CB 3.08Å; N140-S221 PolarHBondContact OD1-N 3.21Å; N140-S221 PolarHBondContact OD1-OG 3.1Å |
| 141 | L | 98.5 | Very high | 97.2 | Very high | 14 Ų | 14 | 31.8 Ų | 31.8 | 7% | 0.073 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 112.6 | 174.5 | -62.7 | -179.4 | 0 | 0 | 0 | 109.1 | P53 V55 S56 V160 A163 I217 K219 | P53-L141 HydrophobicContact CB-CD1 4.2Å; P53-L141 HydrophobicContact CG-CD1 3.92Å; V55-L141 WeakPolarHBondContact CA-O 3.47Å; V55-L141 HydrophobicContact CG2-CB 4.23Å; V55-L141 HydrophobicContact CG2-CD1 4.4Å; S56-L141 PolarHBondContact N-O 3.21Å; L141-V160 HydrophobicContact CD1-CG1 4.37Å; L141-V160 HydrophobicContact CD1-CG2 4.04Å; L141-A163 HydrophobicContact CD2-CB 3.83Å; L141-I217 HydrophobicContact CB-CD1 3.86Å; L141-I217 HydrophobicContact CB-CG1 4.13Å; L141-I217 HydrophobicContact CD1-CD1 4.34Å; L141-K219 HydrophobicContact CD2-CG 3.79Å |
| 142 | V | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 116.1 | 178.2 | -179.3 | 0 | 0 | 0 | 0 | 109.2 | S56 V58 Y134 A137 I217 V218 K220 | S56-V142 CarbonylContact O-C 3.45Å; S56-V142 VanDerWaalsContact O-CA 3.29Å; S56-V142 WeakPolarHBondContact O-CA 3.3Å; V58-V142 HydrophobicContact CB-CG1 4.3Å; V58-V142 HydrophobicContact CG2-CG1 3.64Å; Y134-V142 HydrophobicContact CD2-CG1 4.1Å; Y134-V142 HydrophobicContact CD2-CG2 4.43Å; Y134-V142 HydrophobicContact CE2-CG2 4.4Å; A137-V142 HydrophobicContact CB-CG2 4.02Å; V142-I217 CarbonylContact O-C 3.49Å; V142-I217 WeakPolarHBondContact O-CA 3.42Å; V142-V218 HydrophobicContact CB-CG1 4.24Å; V142-V218 PolarHBondContact N-O 3.4Å; V142-V218 PolarHBondContact O-N 3.42Å; V142-K220 HydrophobicContact CG2-CB 4Å; V142-K220 HydrophobicContact CG2-CD 4.16Å |
| 143 | W | 98.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 0% | 0.004 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 109.1 | 173.9 | 176.7 | 11.9 | 0 | 0 | 0 | 109.5 | V55 S56 V57 V58 L78 A151 V155 I156 F159 S215 Y216 I217 | V55-W143 HydrophobicContact CG1-CB 3.93Å; S56-W143 PolarHBondContact O-N 3.41Å; V57-W143 CarbonylContact C-O 3.6Å; V57-W143 VanDerWaalsContact CA-O 3.31Å; V57-W143 WeakPolarHBondContact CA-O 3.4Å; V57-W143 HydrophobicContact CG1-CB 4.32Å; V57-W143 HydrophobicContact CG1-CD2 4.09Å; V57-W143 HydrophobicContact CG1-CE3 4.11Å; V57-W143 HydrophobicContact CG1-CG 4.21Å; V57-W143 HydrophobicContact CG2-CB 4.35Å; V57-W143 HydrophobicContact CG2-CD2 4.46Å; V57-W143 HydrophobicContact CG2-CE3 3.83Å; V58-W143 PolarHBondContact N-O 2.97Å; L78-W143 HydrophobicContact CD1-CZ3 3.86Å; W143-A151 HydrophobicContact CH2-CB 3.81Å; W143-V155 HydrophobicContact CH2-CG1 4.27Å; W143-V155 HydrophobicContact CZ2-CG1 4.09Å; W143-I156 HydrophobicContact CE3-CB 4.35Å; W143-I156 HydrophobicContact CE3-CD1 4.17Å; W143-I156 HydrophobicContact CE3-CG1 4.41Å; W143-I156 HydrophobicContact CZ3-CB 3.9Å; W143-I156 HydrophobicContact CZ3-CD1 4.2Å; W143-I156 HydrophobicContact CZ3-CG1 4.39Å; W143-F159 AromaticContact CD1-CE2 3.74Å; W143-F159 HydrophobicContact CD2-CD2 4.25Å; W143-F159 AromaticContact CD2-CE2 3.95Å; W143-F159 HydrophobicContact CD2-CE2 3.95Å; W143-F159 AromaticContact CE2-CE2 3.62Å; W143-F159 HydrophobicContact CG-CD2 4.38Å; W143-F159 HydrophobicContact CG-CE2 4.06Å; W143-F159 HydrophobicContact CZ2-CE2 4.09Å; W143-F159 AromaticContact NE1-CE2 3.49Å; W143-S215 PolarHBondContact NE1-OG 3.5Å; W143-Y216 CarbonylContact C-O 3.43Å; W143-Y216 WeakPolarHBondContact CA-O 3.43Å; W143-I217 HydrophobicContact CB-CG1 4.15Å |
| 144 | V | 98 | Very high | 96.7 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 120 | 169.3 | 176.1 | 0 | 0 | 0 | 0 | 108.6 | V58 M126 M130 S215 Y216 | V58-V144 HydrophobicContact CB-CG2 4.47Å; V58-V144 WeakPolarHBondContact O-CA 3.42Å; M126-V144 HydrophobicContact CE-CG1 4.21Å; M130-V144 HydrophobicContact CE-CG1 4.42Å; M130-V144 HydrophobicContact SD-CG1 3.59Å; M130-V144 VanDerWaalsContact SD-CG1 3.59Å; M130-V144 HydrophobicContact SD-CG2 4.45Å; V144-S215 VanDerWaalsContact O-CA 3.28Å; V144-S215 WeakPolarHBondContact O-CA 3.48Å; V144-Y216 HydrophobicContact CB-CD1 4.11Å; V144-Y216 HydrophobicContact CB-CE1 3.6Å; V144-Y216 HydrophobicContact CB-CE2 4.16Å; V144-Y216 HydrophobicContact CG1-CE1 3.76Å; V144-Y216 HydrophobicContact CG2-CE1 4.26Å; V144-Y216 HydrophobicContact CG2-CE2 4.09Å; V144-Y216 PolarHBondContact N-O 3.19Å; V144-Y216 PolarHBondContact O-N 3.31Å; V144-Y216 VanDerWaalsContact O-N 3.11Å |
| 145 | S | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 106.6 | -175.1 | -179.9 | 0 | 0 | 0 | 0 | 111.5 | V58 K59 H75 | V58-S145 PolarHBondContact O-N 2.71Å; K59-S145 WeakPolarHBondContact CG-O 3.48Å; K59-S145 PolarHBondContact NZ-O 3.08Å; K59-S145 PolarHBondContact NZ-OG 3.01Å; H75-S145 PolarHBondContact NE2-OG 2.69Å |
| 146 | T | 95 | Very high | 96.5 | Very high | 23 Ų | 23 | 34.4 Ų | 34.4 | 14% | 0.141 | 18% | 0.177 | C | C | . | . | trans | -66 | 161.3 | -177.2 | 57.4 | 0 | 0 | 0 | 0 | 113.7 | K59 M126 R148 V149 M214 | K59-T146 PolarHBondContact NZ-O 3.25Å; M126-T146 HydrophobicContact CE-CG2 3.73Å; M126-T146 HydrophobicContact SD-CG2 4.16Å; T146-R148 PolarHBondContact O-N 3.41Å; T146-R148 VanDerWaalsContact O-N 3.08Å; T146-V149 WeakPolarHBondContact O-CB 3.42Å; T146-V149 WeakPolarHBondContact O-CG2 3.32Å; T146-V149 PolarHBondContact O-N 2.83Å; T146-V149 WeakPolarHBondContact OG1-CG2 3.42Å; T146-M214 PolarHBondContact N-O 3.04Å; T146-M214 PolarHBondContact OG1-O 3.21Å | ||
| 147 | S | 94.1 | Very high | 96.3 | Very high | 28 Ų | 28 | 34.4 Ų | 34.4 | 20% | 0.196 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -31.2 | -176 | 68.6 | 0 | 0 | 0 | 0 | 114.9 | N71 V149 | N71-S147 WeakPolarHBondContact CB-O 3.48Å; N71-S147 PolarHBondContact ND2-O 3.21Å; N71-S147 VanDerWaalsContact ND2-O 3.11Å; S147-V149 VanDerWaalsContact C-N 3.31Å; S147-V149 PolarHBondContact O-N 2.97Å |
| 148 | R | 95 | Very high | 96.2 | Very high | 90 Ų | 90 | 34.9 Ų | 34.9 | 34% | 0.34 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -10.6 | -178.4 | -61.5 | 179.8 | 171.2 | -131 | -8.1 | 114.2 | T146 Q262 N263 V264 | T146-R148 PolarHBondContact O-N 3.41Å; T146-R148 VanDerWaalsContact O-N 3.08Å; R148-Q262 CarbonylContact O-C 3.56Å; R148-Q262 WeakPolarHBondContact O-CA 3.31Å; R148-N263 PolarHBondContact O-N 3Å; R148-V264 HydrophobicContact CB-CG2 3.81Å; R148-V264 HydrophobicContact CG-CG2 3.58Å |
| 149 | V | 96.5 | Very high | 96.1 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.012 | 14% | 0.142 | C | C | . | . | B | Isolated β-bridge | trans | -81.7 | 127.4 | -174.8 | 178.7 | 0 | 0 | 0 | 0 | 109.8 | H75 T146 S147 M214 V260 | H75-V149 PolarHBondContact CE1-O 3.34Å; T146-V149 WeakPolarHBondContact O-CB 3.42Å; T146-V149 WeakPolarHBondContact O-CG2 3.32Å; T146-V149 PolarHBondContact O-N 2.83Å; T146-V149 WeakPolarHBondContact OG1-CG2 3.42Å; S147-V149 VanDerWaalsContact C-N 3.31Å; S147-V149 PolarHBondContact O-N 2.97Å; V149-M214 WeakPolarHBondContact CG2-O 3.35Å; V149-V260 HydrophobicContact CB-CG2 4.29Å; V149-V260 HydrophobicContact CG1-CG2 3.87Å; V149-V260 HydrophobicContact CG2-CG2 3.62Å |
| 150 | K | 95.2 | Very high | 96 | Very high | 88 Ų | 88 | 26.4 Ų | 26.4 | 38% | 0.383 | 14% | 0.135 | S | C | . | . | P | Polyproline II helix | trans | -89 | 122.7 | 161.2 | -175.2 | 170.3 | 177.5 | 172.9 | 0 | 108.5 | E70 I261 N263 | E70-K150 WeakPolarHBondContact OE1-CE 3.48Å; E70-K150 IonicContact OE1-NZ 2.91Å; E70-K150 PolarHBondContact OE1-NZ 3.4Å; K150-I261 PolarHBondContact N-O 3.28Å; K150-N263 HydrophobicContact CB-CB 4.16Å |
| 151 | A | 96.4 | Very high | 95.8 | Very high | 10 Ų | 10 | 24.5 Ų | 24.5 | 8% | 0.083 | 13% | 0.128 | C | C | . | . | P | Polyproline II helix | trans | -81.5 | 158.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S74 H75 L78 W143 | S74-A151 PolarHBondContact OG-N 3.36Å; H75-A151 VanDerWaalsContact CE1-CB 3.5Å; H75-A151 WeakPolarHBondContact CE1-CB 3.31Å; L78-A151 HydrophobicContact CD1-CB 4.42Å; L78-A151 HydrophobicContact CD2-CB 4.13Å; L78-A151 HydrophobicContact CG-CB 4.4Å; W143-A151 HydrophobicContact CH2-CB 3.81Å |
| 152 | S | 94.6 | Very high | 95.6 | Very high | 38 Ų | 38 | 26.2 Ų | 26.2 | 27% | 0.266 | 13% | 0.134 | S | C | . | . | trans | -144.6 | 157 | 169.4 | 102.1 | 0 | 0 | 0 | 0 | 110.1 | L78 E154 V155 | L78-S152 WeakPolarHBondContact CD2-O 3.38Å; S152-E154 VanDerWaalsContact C-N 3.34Å; S152-E154 WeakPolarHBondContact CB-OE2 3.45Å; S152-E154 PolarHBondContact OG-N 3.11Å; S152-E154 PolarHBondContact OG-OE2 3.3Å; S152-V155 PolarHBondContact O-N 2.89Å; S152-V155 PolarHBondContact OG-N 3Å | ||
| 153 | A | 93.7 | Very high | 95.5 | Very high | 19 Ų | 19 | 26.6 Ų | 26.6 | 16% | 0.157 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.8 | -40.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111 | D79 V155 I156 W157 | D79-A153 HydrophobicContact CB-CB 4.11Å; A153-V155 VanDerWaalsContact C-N 3.25Å; A153-V155 PolarHBondContact O-N 3.28Å; A153-I156 WeakPolarHBondContact O-CG2 3.42Å; A153-I156 PolarHBondContact O-N 3.44Å; A153-W157 PolarHBondContact O-N 3.41Å |
| 154 | E | 93.3 | Very high | 95.3 | Very high | 99 Ų | 99 | 33.1 Ų | 33.1 | 46% | 0.463 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -56.8 | -38.2 | 178.8 | -56.7 | 80.5 | -179.2 | 0 | 0 | 112.3 | S152 D158 Y258 | S152-E154 VanDerWaalsContact C-N 3.34Å; S152-E154 WeakPolarHBondContact CB-OE2 3.45Å; S152-E154 PolarHBondContact OG-N 3.11Å; S152-E154 PolarHBondContact OG-OE2 3.3Å; E154-D158 WeakPolarHBondContact O-CB 3.15Å; E154-D158 PolarHBondContact O-N 3.43Å; E154-Y258 HydrophobicContact CB-CD1 4.35Å; E154-Y258 HydrophobicContact CB-CE1 3.85Å; E154-Y258 HydrophobicContact CB-CE2 4.05Å; E154-Y258 HydrophobicContact CG-CE1 4.42Å |
| 155 | V | 95.3 | Very high | 95.1 | Very high | 11 Ų | 11 | 35.8 Ų | 35.8 | 7% | 0.067 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.4 | -49.3 | 178 | 173.5 | 0 | 0 | 0 | 0 | 111.7 | W143 S152 A153 W157 D158 F159 Y258 | W143-V155 HydrophobicContact CH2-CG1 4.27Å; W143-V155 HydrophobicContact CZ2-CG1 4.09Å; S152-V155 PolarHBondContact O-N 2.89Å; S152-V155 PolarHBondContact OG-N 3Å; A153-V155 VanDerWaalsContact C-N 3.25Å; A153-V155 PolarHBondContact O-N 3.28Å; V155-W157 VanDerWaalsContact C-N 3.32Å; V155-W157 PolarHBondContact O-N 3.43Å; V155-D158 PolarHBondContact O-N 3.34Å; V155-F159 HydrophobicContact CG1-CD2 3.93Å; V155-F159 HydrophobicContact CG1-CE1 4.3Å; V155-F159 HydrophobicContact CG1-CE2 3.54Å; V155-F159 HydrophobicContact CG1-CG 4.46Å; V155-F159 HydrophobicContact CG1-CZ 3.77Å; V155-F159 WeakPolarHBondContact O-CB 3.2Å; V155-F159 VanDerWaalsContact O-CG 3.27Å; V155-F159 WeakPolarHBondContact O-CG 3.28Å; V155-F159 PolarHBondContact O-N 3.16Å; V155-Y258 HydrophobicContact CG2-CG 4.41Å |
| 156 | I | 95.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.5 | -34.2 | 179.6 | -173.9 | 166.4 | 0 | 0 | 0 | 111.6 | V55 L78 Y80 W143 A153 V160 | V55-I156 HydrophobicContact CB-CD1 4.02Å; V55-I156 HydrophobicContact CG1-CD1 4.04Å; V55-I156 HydrophobicContact CG2-CD1 4.12Å; V55-I156 HydrophobicContact CG2-CG1 4.26Å; L78-I156 HydrophobicContact CD2-CG2 4.18Å; Y80-I156 HydrophobicContact CD1-CD1 3.8Å; Y80-I156 HydrophobicContact CD1-CG1 4.4Å; Y80-I156 HydrophobicContact CD2-CD1 4.23Å; Y80-I156 HydrophobicContact CD2-CG1 4.08Å; Y80-I156 HydrophobicContact CD2-CG2 3.98Å; Y80-I156 HydrophobicContact CE1-CD1 4.36Å; Y80-I156 HydrophobicContact CE2-CG1 4.36Å; Y80-I156 HydrophobicContact CG-CD1 3.74Å; Y80-I156 HydrophobicContact CG-CG1 4.12Å; Y80-I156 HydrophobicContact CG-CG2 4.2Å; W143-I156 HydrophobicContact CE3-CB 4.35Å; W143-I156 HydrophobicContact CE3-CD1 4.17Å; W143-I156 HydrophobicContact CE3-CG1 4.41Å; W143-I156 HydrophobicContact CZ3-CB 3.9Å; W143-I156 HydrophobicContact CZ3-CD1 4.2Å; W143-I156 HydrophobicContact CZ3-CG1 4.39Å; A153-I156 WeakPolarHBondContact O-CG2 3.42Å; A153-I156 PolarHBondContact O-N 3.44Å; I156-V160 HydrophobicContact CG1-CG2 4.42Å; I156-V160 WeakPolarHBondContact O-CB 3.26Å; I156-V160 VanDerWaalsContact O-CG2 3.22Å; I156-V160 WeakPolarHBondContact O-CG2 3.42Å; I156-V160 PolarHBondContact O-N 3.46Å |
| 157 | W | 94.7 | Very high | 95.2 | Very high | 33 Ų | 33 | 41.6 Ų | 41.6 | 13% | 0.125 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66 | -46.1 | 172 | -77.1 | 109.1 | 0 | 0 | 0 | 112.5 | T52 D79 Y80 A153 V155 V160 C161 | T52-W157 HydrophobicContact CG2-CH2 3.47Å; T52-W157 VanDerWaalsContact CG2-CH2 3.47Å; T52-W157 HydrophobicContact CG2-CZ2 4.49Å; T52-W157 HydrophobicContact CG2-CZ3 3.9Å; D79-W157 PolarHBondContact O-NE1 3.17Å; Y80-W157 HydrophobicContact CD2-CD2 4.06Å; Y80-W157 AromaticContact CD2-CE2 3.68Å; Y80-W157 HydrophobicContact CD2-CG 4.47Å; Y80-W157 AromaticContact CD2-CZ2 3.97Å; Y80-W157 HydrophobicContact CD2-CZ2 3.97Å; Y80-W157 AromaticContact CD2-NE1 3.82Å; Y80-W157 AromaticContact CE2-CD2 3.9Å; Y80-W157 HydrophobicContact CE2-CD2 3.9Å; Y80-W157 AromaticContact CE2-CE2 3.85Å; Y80-W157 HydrophobicContact CE2-CE3 4.01Å; Y80-W157 HydrophobicContact CE2-CH2 4.15Å; Y80-W157 AromaticContact CE2-CZ2 3.99Å; Y80-W157 HydrophobicContact CE2-CZ2 3.99Å; Y80-W157 HydrophobicContact CE2-CZ3 4.14Å; A153-W157 PolarHBondContact O-N 3.41Å; V155-W157 VanDerWaalsContact C-N 3.32Å; V155-W157 PolarHBondContact O-N 3.43Å; W157-V160 PolarHBondContact O-N 2.91Å; W157-C161 WeakPolarHBondContact O-CB 3.25Å; W157-C161 PolarHBondContact O-N 3.36Å; W157-C161 PolarHBondContact O-SG 2.92Å |
| 158 | D | 95.1 | Very high | 95.3 | Very high | 19 Ų | 19 | 40.4 Ų | 40.4 | 10% | 0.102 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.6 | -42.7 | 176.2 | 179.7 | 67.6 | 0 | 0 | 0 | 112.4 | E154 V155 C161 K162 S256 S257 Y258 | E154-D158 WeakPolarHBondContact O-CB 3.15Å; E154-D158 PolarHBondContact O-N 3.43Å; V155-D158 PolarHBondContact O-N 3.34Å; D158-C161 PolarHBondContact O-N 2.92Å; D158-K162 WeakPolarHBondContact O-CB 3.42Å; D158-K162 PolarHBondContact O-N 3.48Å; D158-K162 WeakPolarHBondContact OD1-CE 3.41Å; D158-K162 IonicContact OD1-NZ 2.67Å; D158-K162 PolarHBondContact OD1-NZ 3.06Å; D158-K162 IonicContact OD2-NZ 3.68Å; D158-K162 PolarHBondContact OD2-NZ 2.94Å; D158-S256 WeakPolarHBondContact OD2-CA 3.29Å; D158-S256 VanDerWaalsContact OD2-CB 3.25Å; D158-S256 WeakPolarHBondContact OD2-CB 3.36Å; D158-S256 PolarHBondContact OD2-OG 3.04Å; D158-S257 PolarHBondContact OD2-N 2.61Å; D158-Y258 HydrophobicContact CB-CD2 3.79Å; D158-Y258 HydrophobicContact CB-CE2 3.87Å |
| 159 | F | 96 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.6 | -49.7 | 173.6 | -78.5 | -16.6 | 0 | 0 | 0 | 112.4 | W143 V155 K162 A163 V171 Q173 I217 | W143-F159 AromaticContact CD1-CE2 3.74Å; W143-F159 HydrophobicContact CD2-CD2 4.25Å; W143-F159 AromaticContact CD2-CE2 3.95Å; W143-F159 HydrophobicContact CD2-CE2 3.95Å; W143-F159 AromaticContact CE2-CE2 3.62Å; W143-F159 HydrophobicContact CG-CD2 4.38Å; W143-F159 HydrophobicContact CG-CE2 4.06Å; W143-F159 HydrophobicContact CZ2-CE2 4.09Å; W143-F159 AromaticContact NE1-CE2 3.49Å; V155-F159 HydrophobicContact CG1-CD2 3.93Å; V155-F159 HydrophobicContact CG1-CE1 4.3Å; V155-F159 HydrophobicContact CG1-CE2 3.54Å; V155-F159 HydrophobicContact CG1-CG 4.46Å; V155-F159 HydrophobicContact CG1-CZ 3.77Å; V155-F159 WeakPolarHBondContact O-CB 3.2Å; V155-F159 VanDerWaalsContact O-CG 3.27Å; V155-F159 WeakPolarHBondContact O-CG 3.28Å; V155-F159 PolarHBondContact O-N 3.16Å; F159-K162 PolarHBondContact O-N 3.26Å; F159-A163 WeakPolarHBondContact O-CB 3.3Å; F159-A163 PolarHBondContact O-N 3.32Å; F159-V171 HydrophobicContact CD1-CB 3.83Å; F159-V171 HydrophobicContact CD1-CG1 3.65Å; F159-V171 HydrophobicContact CE1-CB 4.38Å; F159-V171 HydrophobicContact CE1-CG1 4.17Å; F159-Q173 HydrophobicContact CE1-CG 3.57Å; F159-Q173 HydrophobicContact CZ-CG 3.55Å; F159-I217 HydrophobicContact CB-CB 4.1Å; F159-I217 HydrophobicContact CB-CD1 3.92Å; F159-I217 HydrophobicContact CB-CG2 3.96Å; F159-I217 HydrophobicContact CD2-CB 4.07Å; F159-I217 HydrophobicContact CD2-CD1 4.45Å; F159-I217 HydrophobicContact CG-CB 4.06Å; F159-I217 HydrophobicContact CG-CG2 4.21Å |
| 160 | V | 95.8 | Very high | 95.5 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.2 | -41.4 | -177.5 | 173 | 0 | 0 | 0 | 0 | 111.2 | L49 P53 V55 Y80 L141 I156 W157 K162 A163 H164 I217 | L49-V160 HydrophobicContact CD1-CB 4.46Å; L49-V160 HydrophobicContact CD1-CG1 3.59Å; P53-V160 HydrophobicContact CG-CG1 3.3Å; V55-V160 HydrophobicContact CG2-CG2 3.59Å; Y80-V160 HydrophobicContact CE2-CG2 4.45Å; L141-V160 HydrophobicContact CD1-CG1 4.37Å; L141-V160 HydrophobicContact CD1-CG2 4.04Å; I156-V160 HydrophobicContact CG1-CG2 4.42Å; I156-V160 WeakPolarHBondContact O-CB 3.26Å; I156-V160 VanDerWaalsContact O-CG2 3.22Å; I156-V160 WeakPolarHBondContact O-CG2 3.42Å; I156-V160 PolarHBondContact O-N 3.46Å; W157-V160 PolarHBondContact O-N 2.91Å; V160-K162 PolarHBondContact O-N 3.19Å; V160-A163 PolarHBondContact O-N 2.9Å; V160-H164 PolarHBondContact O-N 3.35Å; V160-H164 VanDerWaalsContact O-N 3.11Å; V160-I217 HydrophobicContact CG2-CD1 4.35Å |
| 161 | C | 94.4 | Very high | 95.6 | Very high | 37 Ų | 37 | 31.9 Ų | 31.9 | 25% | 0.25 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.6 | -44.8 | 174.6 | -72.7 | 0 | 0 | 0 | 0 | 112.2 | W157 D158 H164 | W157-C161 WeakPolarHBondContact O-CB 3.25Å; W157-C161 PolarHBondContact O-N 3.36Å; W157-C161 PolarHBondContact O-SG 2.92Å; D158-C161 PolarHBondContact O-N 2.92Å; C161-H164 VanDerWaalsContact O-CB 3.24Å; C161-H164 WeakPolarHBondContact O-CB 3.4Å; C161-H164 PolarHBondContact O-N 3.11Å |
| 162 | K | 94.8 | Very high | 95.7 | Very high | 50 Ų | 50 | 31.5 Ų | 31.5 | 22% | 0.217 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -74.8 | -32.2 | 179.2 | -76 | 173.2 | 177.8 | 159.9 | 0 | 113.5 | D158 F159 V160 H164 V171 V254 L255 S257 | D158-K162 WeakPolarHBondContact O-CB 3.42Å; D158-K162 PolarHBondContact O-N 3.48Å; D158-K162 WeakPolarHBondContact OD1-CE 3.41Å; D158-K162 IonicContact OD1-NZ 2.67Å; D158-K162 PolarHBondContact OD1-NZ 3.06Å; D158-K162 IonicContact OD2-NZ 3.68Å; D158-K162 PolarHBondContact OD2-NZ 2.94Å; F159-K162 PolarHBondContact O-N 3.26Å; V160-K162 PolarHBondContact O-N 3.19Å; K162-H164 PolarHBondContact O-N 3.44Å; K162-V171 HydrophobicContact CB-CB 4.46Å; K162-V171 HydrophobicContact CB-CG1 3.99Å; K162-V171 HydrophobicContact CB-CG2 3.59Å; K162-V171 HydrophobicContact CD-CG1 3.94Å; K162-V254 HydrophobicContact CB-CG2 4.31Å; K162-L255 PolarHBondContact NZ-O 3.31Å; K162-L255 VanDerWaalsContact NZ-O 3.09Å; K162-S257 PolarHBondContact NZ-OG 3.19Å |
| 163 | A | 95.9 | Very high | 95.7 | Very high | 7 Ų | 7 | 29.9 Ų | 29.9 | 6% | 0.058 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -72.8 | -9.6 | 173 | 0 | 0 | 0 | 0 | 0 | 113.1 | L141 F159 V160 D165 V171 I217 K219 | L141-A163 HydrophobicContact CD2-CB 3.83Å; F159-A163 WeakPolarHBondContact O-CB 3.3Å; F159-A163 PolarHBondContact O-N 3.32Å; V160-A163 PolarHBondContact O-N 2.9Å; A163-D165 VanDerWaalsContact C-N 3.3Å; A163-D165 PolarHBondContact O-N 3.28Å; A163-V171 HydrophobicContact CB-CG2 4.17Å; A163-I217 HydrophobicContact CB-CG2 4.19Å; A163-K219 WeakPolarHBondContact O-CE 3.34Å; A163-K219 PolarHBondContact O-NZ 3.06Å |
| 164 | H | 94.2 | Very high | 95.9 | Very high | 138 Ų | 138 | 29 Ų | 29 | 64% | 0.639 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -33.6 | 175.5 | -166.7 | 76.4 | 0 | 0 | 0 | 112.4 | V160 C161 K162 P166 | V160-H164 PolarHBondContact O-N 3.35Å; V160-H164 VanDerWaalsContact O-N 3.11Å; C161-H164 VanDerWaalsContact O-CB 3.24Å; C161-H164 WeakPolarHBondContact O-CB 3.4Å; C161-H164 PolarHBondContact O-N 3.11Å; K162-H164 PolarHBondContact O-N 3.44Å; H164-P166 WeakPolarHBondContact O-CD 3.4Å |
| 165 | D | 94.8 | Very high | 96 | Very high | 57 Ų | 57 | 24.6 Ų | 24.6 | 31% | 0.305 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -58.4 | 120.2 | 171.4 | 177.7 | -17.3 | 0 | 0 | 0 | 109.6 | A163 S167 V168 K219 R252 | A163-D165 VanDerWaalsContact C-N 3.3Å; A163-D165 PolarHBondContact O-N 3.28Å; D165-S167 PolarHBondContact O-N 3.04Å; D165-S167 WeakPolarHBondContact OD1-CB 3.31Å; D165-S167 PolarHBondContact OD1-N 3.44Å; D165-S167 PolarHBondContact OD1-OG 3.47Å; D165-S167 PolarHBondContact OD2-OG 3.42Å; D165-S167 VanDerWaalsContact OD2-OG 3.14Å; D165-V168 HydrophobicContact CB-CB 4.3Å; D165-V168 HydrophobicContact CB-CG2 3.8Å; D165-V168 PolarHBondContact O-N 3.38Å; D165-V168 VanDerWaalsContact O-N 3.1Å; D165-K219 PolarHBondContact O-NZ 2.83Å; D165-R252 IonicContact OD2-NH1 3.45Å; D165-R252 PolarHBondContact OD2-NH1 3.17Å |
| 166 | P | 96.2 | Very high | 96 | Very high | 106 Ų | 106 | 24.2 Ų | 24.2 | 69% | 0.688 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -17.1 | -177.3 | 27.8 | -35.4 | 0 | 0 | 0 | 113.5 | H164 M222 | H164-P166 WeakPolarHBondContact O-CD 3.4Å; P166-M222 WeakPolarHBondContact O-CE 3.47Å |
| 167 | S | 97 | Very high | 96 | Very high | 39 Ų | 39 | 24.5 Ų | 24.5 | 27% | 0.273 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -19.7 | 174.2 | 71.2 | 0 | 0 | 0 | 0 | 113.6 | D165 R252 | D165-S167 PolarHBondContact O-N 3.04Å; D165-S167 WeakPolarHBondContact OD1-CB 3.31Å; D165-S167 PolarHBondContact OD1-N 3.44Å; D165-S167 PolarHBondContact OD1-OG 3.47Å; D165-S167 PolarHBondContact OD2-OG 3.42Å; D165-S167 VanDerWaalsContact OD2-OG 3.14Å; S167-R252 PolarHBondContact O-N 3.02Å; S167-R252 WeakPolarHBondContact OG-CD 3.5Å |
| 168 | V | 97.5 | Very high | 96 | Very high | 3 Ų | 3 | 23.7 Ų | 23.7 | 2% | 0.018 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 117.2 | -176.6 | 173.9 | 0 | 0 | 0 | 0 | 110.5 | D165 V171 K219 R252 V254 | D165-V168 HydrophobicContact CB-CB 4.3Å; D165-V168 HydrophobicContact CB-CG2 3.8Å; D165-V168 PolarHBondContact O-N 3.38Å; D165-V168 VanDerWaalsContact O-N 3.1Å; V168-V171 HydrophobicContact CG1-CG2 3.92Å; V168-K219 VanDerWaalsContact O-CD 3.3Å; V168-K219 WeakPolarHBondContact O-CD 3.42Å; V168-K219 VanDerWaalsContact O-CE 3.23Å; V168-K219 WeakPolarHBondContact O-CE 3.32Å; V168-K219 PolarHBondContact O-NZ 3.41Å; V168-R252 WeakPolarHBondContact CA-O 3.23Å; V168-R252 HydrophobicContact CG2-CB 4.21Å; V168-V254 HydrophobicContact CG1-CG1 4.45Å; V168-V254 HydrophobicContact CG1-CG2 3.64Å; V168-V254 HydrophobicContact CG2-CG1 3.9Å; V168-V254 HydrophobicContact CG2-CG2 4.17Å |
| 169 | A | 97.9 | Very high | 96 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 2% | 0.017 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -34.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | V218 K219 M222 L246 Y251 R252 | A169-V218 WeakPolarHBondContact O-CA 3.3Å; A169-K219 PolarHBondContact O-N 3.48Å; A169-M222 HydrophobicContact CB-CB 4.22Å; A169-M222 HydrophobicContact CB-SD 3.65Å; A169-L246 HydrophobicContact CB-CB 4.39Å; A169-L246 HydrophobicContact CB-CD1 4.05Å; A169-L246 HydrophobicContact CB-CD2 4.06Å; A169-L246 HydrophobicContact CB-CG 4.4Å; A169-Y251 HydrophobicContact CB-CD2 4.43Å; A169-Y251 HydrophobicContact CB-CG 4Å; A169-R252 PolarHBondContact N-O 2.84Å |
| 170 | I | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 135.3 | -177.7 | -66.6 | 174.4 | 0 | 0 | 0 | 110.9 | H172 F211 Y216 I217 V218 L242 L246 V253 V254 | I170-H172 HydrophobicContact CG2-CB 4.1Å; I170-F211 HydrophobicContact CD1-CE1 4.32Å; I170-F211 HydrophobicContact CG2-CE2 4.42Å; I170-Y216 HydrophobicContact CG2-CD2 4.34Å; I170-I217 VanDerWaalsContact CA-O 3.29Å; I170-I217 WeakPolarHBondContact CA-O 3.24Å; I170-V218 HydrophobicContact CD1-CG2 4.33Å; I170-V218 HydrophobicContact CG1-CB 4.04Å; I170-V218 HydrophobicContact CG1-CG2 3.75Å; I170-L242 HydrophobicContact CD1-CD1 3.42Å; I170-L242 VanDerWaalsContact CD1-CD1 3.42Å; I170-L246 HydrophobicContact CD1-CD1 3.6Å; I170-L246 HydrophobicContact CG1-CD1 3.98Å; I170-V253 HydrophobicContact CB-CG1 4.13Å; I170-V253 HydrophobicContact CB-CG2 4.21Å; I170-V253 HydrophobicContact CD1-CG2 4.4Å; I170-V253 HydrophobicContact CG2-CG1 4.1Å; I170-V254 PolarHBondContact O-N 3.27Å |
| 171 | V | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 119.6 | 159.8 | -165.7 | 0 | 0 | 0 | 0 | 108.1 | F159 K162 A163 V168 Y216 I217 V254 | F159-V171 HydrophobicContact CD1-CB 3.83Å; F159-V171 HydrophobicContact CD1-CG1 3.65Å; F159-V171 HydrophobicContact CE1-CB 4.38Å; F159-V171 HydrophobicContact CE1-CG1 4.17Å; K162-V171 HydrophobicContact CB-CB 4.46Å; K162-V171 HydrophobicContact CB-CG1 3.99Å; K162-V171 HydrophobicContact CB-CG2 3.59Å; K162-V171 HydrophobicContact CD-CG1 3.94Å; A163-V171 HydrophobicContact CB-CG2 4.17Å; V168-V171 HydrophobicContact CG1-CG2 3.92Å; V171-Y216 CarbonylContact O-C 3.55Å; V171-Y216 VanDerWaalsContact O-CA 3.24Å; V171-Y216 WeakPolarHBondContact O-CA 3.35Å; V171-Y216 WeakPolarHBondContact O-CB 3.39Å; V171-I217 HydrophobicContact CB-CG2 3.82Å; V171-I217 HydrophobicContact CG2-CG2 3.88Å; V171-I217 PolarHBondContact N-O 2.96Å; V171-I217 PolarHBondContact O-N 3.04Å; V171-V254 VanDerWaalsContact CA-O 3.31Å; V171-V254 WeakPolarHBondContact CA-O 3.46Å; V171-V254 HydrophobicContact CB-CG2 4.35Å; V171-V254 HydrophobicContact CG1-CG2 4.17Å; V171-V254 HydrophobicContact CG2-CG2 3.94Å |
| 172 | H | 97 | Very high | 95.6 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 160.9 | -177.4 | 65.1 | 108.8 | 0 | 0 | 0 | 111.1 | I170 Y200 N204 C210 F211 V253 V254 L255 S256 | I170-H172 HydrophobicContact CG2-CB 4.1Å; H172-Y200 AromaticContact CE1-CE1 3.89Å; H172-Y200 AromaticContact CE1-CZ 3.95Å; H172-Y200 AromaticContact ND1-CE1 3.88Å; H172-Y200 AromaticContact ND1-CZ 3.64Å; H172-Y200 PolarHBondContact ND1-OH 3.41Å; H172-N204 PolarHBondContact NE2-OD1 2.83Å; H172-C210 PolarHBondContact CE1-O 3.42Å; H172-F211 HydrophobicContact CB-CD2 3.38Å; H172-F211 HydrophobicContact CB-CE2 3.61Å; H172-F211 AromaticContact CG-CD2 3.66Å; H172-F211 AromaticContact ND1-CD2 3.94Å; H172-V253 VanDerWaalsContact CD2-CG1 3.47Å; H172-V253 WeakPolarHBondContact CD2-CG1 3.3Å; H172-V254 PolarHBondContact CD2-O 3.05Å; H172-V254 PolarHBondContact N-O 3.28Å; H172-L255 CarbonylContact O-C 3.3Å; H172-S256 VanDerWaalsContact O-CB 3.31Å; H172-S256 WeakPolarHBondContact O-CB 3.41Å; H172-S256 PolarHBondContact O-N 2.99Å |
| 173 | Q | 96.2 | Very high | 95.6 | Very high | 4 Ų | 4 | 35.3 Ų | 35.3 | 2% | 0.019 | 21% | 0.21 | C | C | . | . | trans | -106.9 | 155.1 | -178.8 | -55.2 | -170.7 | -95.8 | 0 | 0 | 112.1 | F159 P175 Y200 S215 Y258 P259 V260 | F159-Q173 HydrophobicContact CE1-CG 3.57Å; F159-Q173 HydrophobicContact CZ-CG 3.55Å; Q173-P175 WeakPolarHBondContact O-CD 3.3Å; Q173-Y200 PolarHBondContact O-OH 2.96Å; Q173-S215 PolarHBondContact N-O 3.2Å; Q173-S215 PolarHBondContact OE1-OG 3.34Å; Q173-Y258 PolarHBondContact NE2-O 3.13Å; Q173-P259 PolarHBondContact NE2-O 2.88Å; Q173-V260 HydrophobicContact CB-CB 3.67Å; Q173-V260 HydrophobicContact CB-CG1 3.93Å; Q173-V260 HydrophobicContact CG-CB 4.3Å | ||
| 174 | L | 96.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | trans | -69.8 | 125.2 | 167.6 | 169.6 | 66.7 | 0 | 0 | 0 | 109.9 | F41 F176 A197 Y200 T201 L255 P259 V260 I341 | F41-L174 HydrophobicContact CE2-CD2 3.67Å; F41-L174 HydrophobicContact CZ-CB 4.17Å; F41-L174 HydrophobicContact CZ-CD2 3.86Å; L174-F176 PolarHBondContact O-N 3.4Å; L174-A197 HydrophobicContact CD1-CB 4.1Å; L174-A197 HydrophobicContact CD2-CB 3.94Å; L174-Y200 HydrophobicContact CB-CD1 4.41Å; L174-Y200 HydrophobicContact CB-CE1 4.3Å; L174-Y200 HydrophobicContact CD1-CD1 3.54Å; L174-Y200 HydrophobicContact CD1-CE1 4.13Å; L174-Y200 HydrophobicContact CD1-CG 3.8Å; L174-T201 HydrophobicContact CD1-CG2 4.32Å; L174-T201 HydrophobicContact CD2-CG2 3.99Å; L174-L255 HydrophobicContact CB-CD1 4.27Å; L174-P259 HydrophobicContact CB-CB 4.18Å; L174-P259 HydrophobicContact CG-CB 4.48Å; L174-P259 CarbonylContact O-C 3.56Å; L174-P259 VanDerWaalsContact O-CA 3.25Å; L174-P259 WeakPolarHBondContact O-CA 3.48Å; L174-P259 VanDerWaalsContact O-CB 3.28Å; L174-P259 WeakPolarHBondContact O-CB 3.45Å; L174-V260 WeakPolarHBondContact O-CG1 3.49Å; L174-V260 PolarHBondContact O-N 3.45Å; L174-I341 HydrophobicContact CD2-CD1 4.05Å; L174-I341 HydrophobicContact CD2-CG1 4.45Å; L174-I341 HydrophobicContact CD2-CG2 4.02Å | ||
| 175 | P | 96.1 | Very high | 95.6 | Very high | 7 Ų | 7 | 30.6 Ų | 30.6 | 5% | 0.045 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 122.6 | 173.6 | -30.7 | 40.5 | 0 | 0 | 0 | 113.9 | Q173 F192 Y200 T212 M214 | Q173-P175 WeakPolarHBondContact O-CD 3.3Å; P175-F192 HydrophobicContact CB-CD1 3.61Å; P175-F192 HydrophobicContact CB-CE1 3.76Å; P175-Y200 HydrophobicContact CG-CE2 4.27Å; P175-T212 HydrophobicContact CG-CG2 4.39Å; P175-T212 WeakPolarHBondContact CG-OG1 3.31Å; P175-M214 HydrophobicContact CB-CE 3.77Å; P175-M214 HydrophobicContact CB-SD 3.94Å; P175-M214 HydrophobicContact CG-CE 4.04Å; P175-M214 HydrophobicContact CG-SD 4.2Å |
| 176 | F | 96.3 | Very high | 95.7 | Very high | 3 Ų | 3 | 27.9 Ų | 27.9 | 1% | 0.013 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 175.3 | 176.5 | -160.5 | -116.7 | 0 | 0 | 0 | 111.1 | L174 K189 P259 V260 I261 Q262 L338 I341 Q342 | L174-F176 PolarHBondContact O-N 3.4Å; F176-K189 HydrophobicContact CE2-CG 4.43Å; F176-K189 HydrophobicContact CZ-CG 4.16Å; F176-P259 HydrophobicContact CB-CB 3.77Å; F176-P259 HydrophobicContact CB-CG 4.4Å; F176-P259 HydrophobicContact CG-CB 4.46Å; F176-V260 CarbonylContact C-O 3.48Å; F176-V260 WeakPolarHBondContact CA-O 3.38Å; F176-V260 PolarHBondContact N-O 2.88Å; F176-I261 HydrophobicContact CD1-CD1 3.95Å; F176-Q262 VanDerWaalsContact O-CB 3.26Å; F176-Q262 WeakPolarHBondContact O-CB 3.34Å; F176-Q262 VanDerWaalsContact O-CG 3.31Å; F176-Q262 WeakPolarHBondContact O-CG 3.28Å; F176-Q262 PolarHBondContact O-N 3.01Å; F176-Q262 PolarHBondContact O-NE2 3.31Å; F176-L338 HydrophobicContact CE2-CD1 3.88Å; F176-L338 HydrophobicContact CZ-CD1 3.91Å; F176-I341 HydrophobicContact CD2-CG2 3.73Å; F176-I341 HydrophobicContact CE1-CG2 4.49Å; F176-I341 HydrophobicContact CE2-CB 4.33Å; F176-I341 HydrophobicContact CE2-CG2 3.69Å; F176-I341 HydrophobicContact CG-CG2 4.17Å; F176-I341 HydrophobicContact CZ-CG2 4.09Å; F176-Q342 VanDerWaalsContact CE1-OE1 3.3Å; F176-Q342 HydrophobicContact CZ-CB 4.2Å |
| 177 | F | 95.1 | Very high | 95.8 | Very high | 5 Ų | 5 | 23 Ų | 23 | 2% | 0.022 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 145.5 | -177.2 | -90.9 | -101 | 0 | 0 | 0 | 111.7 | E188 K189 F192 Q262 | F177-E188 HydrophobicContact CD1-CB 4.01Å; F177-E188 HydrophobicContact CD2-CB 4.15Å; F177-E188 HydrophobicContact CE1-CB 3.84Å; F177-E188 HydrophobicContact CE1-CG 4.17Å; F177-E188 WeakPolarHBondContact CE1-OE2 3.09Å; F177-E188 HydrophobicContact CE2-CB 4Å; F177-E188 HydrophobicContact CG-CB 4.15Å; F177-E188 HydrophobicContact CZ-CB 3.82Å; F177-E188 VanDerWaalsContact CZ-CD 3.45Å; F177-E188 HydrophobicContact CZ-CG 4.03Å; F177-E188 VanDerWaalsContact CZ-OE1 3.25Å; F177-E188 WeakPolarHBondContact CZ-OE1 3.49Å; F177-K189 HydrophobicContact CB-CB 4.42Å; F177-K189 PolarHBondContact O-NZ 2.99Å; F177-F192 HydrophobicContact CD2-CB 4.02Å; F177-F192 HydrophobicContact CD2-CD1 4.33Å; F177-F192 AromaticContact CD2-CD2 3.84Å; F177-F192 HydrophobicContact CD2-CD2 3.84Å; F177-F192 HydrophobicContact CD2-CE2 4.47Å; F177-F192 AromaticContact CD2-CG 3.77Å; F177-F192 HydrophobicContact CD2-CG 3.77Å; F177-F192 HydrophobicContact CE2-CB 4.47Å; F177-F192 HydrophobicContact CE2-CD1 4.15Å; F177-F192 AromaticContact CE2-CD2 3.46Å; F177-F192 HydrophobicContact CE2-CD2 3.46Å; F177-F192 VanDerWaalsContact CE2-CD2 3.46Å; F177-F192 HydrophobicContact CE2-CE1 4.31Å; F177-F192 AromaticContact CE2-CE2 3.65Å; F177-F192 HydrophobicContact CE2-CE2 3.65Å; F177-F192 AromaticContact CE2-CG 3.74Å; F177-F192 HydrophobicContact CE2-CG 3.74Å; F177-F192 HydrophobicContact CE2-CZ 4.09Å; F177-F192 HydrophobicContact CZ-CE2 4.48Å; F177-Q262 HydrophobicContact CD1-CB 4.26Å; F177-Q262 HydrophobicContact CD2-CB 4.48Å; F177-Q262 HydrophobicContact CE1-CB 4.37Å; F177-Q262 VanDerWaalsContact CE2-NE2 3.26Å; F177-Q262 HydrophobicContact CG-CB 4.34Å |
| 178 | A | 95 | Very high | 95.7 | Very high | 17 Ų | 17 | 21.4 Ų | 21.4 | 14% | 0.14 | 13% | 0.134 | C | C | . | . | trans | -63.6 | 167.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | H180 K189 I261 Q262 N263 | A178-H180 PolarHBondContact O-N 3.39Å; A178-K189 WeakPolarHBondContact O-CE 3.49Å; A178-K189 PolarHBondContact O-NZ 2.84Å; A178-I261 HydrophobicContact CB-CG2 3.71Å; A178-Q262 WeakPolarHBondContact CB-O 3.42Å; A178-Q262 PolarHBondContact N-O 2.92Å; A178-N263 HydrophobicContact CB-CB 4.07Å | ||
| 179 | D | 94.3 | Very high | 95.7 | Very high | 79 Ų | 79 | 21.4 Ų | 21.4 | 42% | 0.422 | 13% | 0.134 | S | C | . | . | trans | -80.5 | 113.1 | 173.5 | -68.7 | -15.6 | 0 | 0 | 0 | 109.7 | K189 Q342 P347 | D179-K189 WeakPolarHBondContact OD1-CE 3.38Å; D179-K189 IonicContact OD1-NZ 3.26Å; D179-K189 PolarHBondContact OD1-NZ 3.12Å; D179-Q342 PolarHBondContact OD1-NE2 2.95Å; D179-Q342 PolarHBondContact OD2-NE2 3.42Å; D179-Q342 VanDerWaalsContact OD2-NE2 3.08Å; D179-P347 HydrophobicContact CB-CB 4.11Å; D179-P347 HydrophobicContact CB-CG 4Å; D179-P347 WeakPolarHBondContact OD1-CG 3.39Å | ||
| 180 | H | 93.4 | Very high | 95.6 | Very high | 47 Ų | 47 | 21.3 Ų | 21.3 | 22% | 0.218 | 13% | 0.133 | C | C | . | . | trans | -129.9 | 155.9 | 176.2 | -83.7 | -77.1 | 0 | 0 | 0 | 111 | A178 A185 N263 V264 | A178-H180 PolarHBondContact O-N 3.39Å; H180-A185 HydrophobicContact CB-CB 3.79Å; H180-N263 PolarHBondContact NE2-OD1 2.61Å; H180-V264 PolarHBondContact CD2-O 3Å | ||
| 181 | S | 90.6 | Very high | 95.6 | Very high | 111 Ų | 111 | 21.5 Ų | 21.5 | 78% | 0.776 | 13% | 0.134 | S | C | * | . | trans | -78.9 | 176.7 | 178.6 | 70.5 | 0 | 0 | 0 | 0 | 112.2 | A185 | S181-A185 VanDerWaalsContact O-CB 3.31Å; S181-A185 WeakPolarHBondContact O-CB 3.33Å | ||
| 182 | G | 92.8 | Very high | 95.6 | Very high | 42 Ų | 42 | 21.5 Ų | 21.5 | 43% | 0.433 | 13% | 0.134 | S | C | . | . | S | Bend | trans | 82 | 178.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | K352 | G182-K352 VanDerWaalsContact O-CE 3.26Å; G182-K352 WeakPolarHBondContact O-CE 3.15Å; G182-K352 PolarHBondContact O-NZ 3.49Å |
| 183 | F | 95.3 | Very high | 95.6 | Very high | 73 Ų | 73 | 21.5 Ų | 21.5 | 32% | 0.32 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -91.6 | -36.7 | -176.2 | -175.7 | -119 | 0 | 0 | 0 | 113 | A185 A186 I187 L355 A356 S359 | F183-A185 VanDerWaalsContact C-N 3.34Å; F183-A185 PolarHBondContact O-N 3.36Å; F183-A186 WeakPolarHBondContact O-CA 3.43Å; F183-A186 WeakPolarHBondContact O-CB 3.47Å; F183-A186 PolarHBondContact O-N 2.95Å; F183-I187 HydrophobicContact CD1-CD1 3.93Å; F183-I187 HydrophobicContact CE1-CD1 3.6Å; F183-I187 HydrophobicContact CE1-CG1 4.16Å; F183-I187 HydrophobicContact CZ-CD1 4.14Å; F183-I187 HydrophobicContact CZ-CG1 4.23Å; F183-I187 PolarHBondContact O-N 3.21Å; F183-L355 HydrophobicContact CE2-CB 4.15Å; F183-L355 HydrophobicContact CE2-CD2 3.92Å; F183-L355 HydrophobicContact CE2-CG 3.84Å; F183-L355 HydrophobicContact CZ-CB 4.41Å; F183-L355 HydrophobicContact CZ-CD2 4.09Å; F183-L355 HydrophobicContact CZ-CG 3.75Å; F183-A356 HydrophobicContact CE2-CB 3.91Å; F183-A356 HydrophobicContact CZ-CB 4.38Å; F183-S359 WeakPolarHBondContact CZ-OG 3.43Å |
| 184 | V | 96 | Very high | 95.6 | Very high | 28 Ų | 28 | 21.3 Ų | 21.3 | 17% | 0.17 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.1 | -39.9 | 177.9 | -176.3 | 0 | 0 | 0 | 0 | 111.4 | A186 I187 E188 S267 L269 | V184-A186 PolarHBondContact O-N 3.45Å; V184-I187 WeakPolarHBondContact O-CB 3.24Å; V184-I187 PolarHBondContact O-N 3.47Å; V184-I187 VanDerWaalsContact O-N 3.1Å; V184-E188 PolarHBondContact O-N 3.13Å; V184-S267 WeakPolarHBondContact CB-O 3.27Å; V184-S267 WeakPolarHBondContact CG1-O 3.2Å; V184-L269 HydrophobicContact CG2-CB 4.18Å |
| 185 | A | 95.1 | Very high | 95.6 | Very high | 17 Ų | 17 | 22.3 Ų | 22.3 | 14% | 0.14 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.8 | -32.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | H180 S181 F183 K189 | H180-A185 HydrophobicContact CB-CB 3.79Å; S181-A185 VanDerWaalsContact O-CB 3.31Å; S181-A185 WeakPolarHBondContact O-CB 3.33Å; F183-A185 VanDerWaalsContact C-N 3.34Å; F183-A185 PolarHBondContact O-N 3.36Å; A185-K189 WeakPolarHBondContact O-CB 3.45Å; A185-K189 PolarHBondContact O-N 3.36Å |
| 186 | A | 96.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.008 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -72 | -39.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F183 V184 K189 V190 F348 A356 | F183-A186 WeakPolarHBondContact O-CA 3.43Å; F183-A186 WeakPolarHBondContact O-CB 3.47Å; F183-A186 PolarHBondContact O-N 2.95Å; V184-A186 PolarHBondContact O-N 3.45Å; A186-K189 PolarHBondContact O-N 2.98Å; A186-V190 WeakPolarHBondContact O-CB 3.27Å; A186-V190 VanDerWaalsContact O-CG2 3.25Å; A186-V190 WeakPolarHBondContact O-CG2 3.29Å; A186-V190 PolarHBondContact O-N 3.22Å; A186-F348 HydrophobicContact CB-CD1 3.85Å; A186-F348 HydrophobicContact CB-CE1 3.76Å; A186-F348 HydrophobicContact CB-CZ 4.37Å; A186-A356 HydrophobicContact CB-CB 4.05Å |
| 187 | I | 97.2 | Very high | 95.6 | Very high | 3 Ų | 3 | 23.4 Ų | 23.4 | 2% | 0.015 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59 | -50.1 | 170.3 | -67.1 | 168 | 0 | 0 | 0 | 109.9 | F183 V184 K189 V190 T191 L269 Y272 A356 L363 | F183-I187 HydrophobicContact CD1-CD1 3.93Å; F183-I187 HydrophobicContact CE1-CD1 3.6Å; F183-I187 HydrophobicContact CE1-CG1 4.16Å; F183-I187 HydrophobicContact CZ-CD1 4.14Å; F183-I187 HydrophobicContact CZ-CG1 4.23Å; F183-I187 PolarHBondContact O-N 3.21Å; V184-I187 WeakPolarHBondContact O-CB 3.24Å; V184-I187 PolarHBondContact O-N 3.47Å; V184-I187 VanDerWaalsContact O-N 3.1Å; I187-K189 PolarHBondContact O-N 2.99Å; I187-V190 PolarHBondContact O-N 3.3Å; I187-T191 PolarHBondContact O-N 3.48Å; I187-T191 PolarHBondContact O-OG1 2.88Å; I187-L269 HydrophobicContact CD1-CD1 4.31Å; I187-Y272 HydrophobicContact CG2-CD1 4.38Å; I187-Y272 HydrophobicContact CG2-CE1 3.95Å; I187-Y272 HydrophobicContact CG2-CE2 4.39Å; I187-A356 HydrophobicContact CG1-CB 4.2Å; I187-L363 HydrophobicContact CD1-CD1 4.12Å; I187-L363 HydrophobicContact CG2-CD1 4.28Å |
| 188 | E | 96.2 | Very high | 95.7 | Very high | 5 Ų | 5 | 23.4 Ų | 23.4 | 2% | 0.023 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.3 | -47.3 | 179.2 | -72.8 | -168.9 | 118.5 | 0 | 0 | 111.9 | F177 V184 V190 T191 F192 S267 Y272 | F177-E188 HydrophobicContact CD1-CB 4.01Å; F177-E188 HydrophobicContact CD2-CB 4.15Å; F177-E188 HydrophobicContact CE1-CB 3.84Å; F177-E188 HydrophobicContact CE1-CG 4.17Å; F177-E188 WeakPolarHBondContact CE1-OE2 3.09Å; F177-E188 HydrophobicContact CE2-CB 4Å; F177-E188 HydrophobicContact CG-CB 4.15Å; F177-E188 HydrophobicContact CZ-CB 3.82Å; F177-E188 VanDerWaalsContact CZ-CD 3.45Å; F177-E188 HydrophobicContact CZ-CG 4.03Å; F177-E188 VanDerWaalsContact CZ-OE1 3.25Å; F177-E188 WeakPolarHBondContact CZ-OE1 3.49Å; V184-E188 PolarHBondContact O-N 3.13Å; E188-V190 VanDerWaalsContact C-N 3.35Å; E188-V190 PolarHBondContact O-N 3.36Å; E188-T191 PolarHBondContact O-N 3.49Å; E188-F192 WeakPolarHBondContact O-CB 3.42Å; E188-F192 VanDerWaalsContact O-CD2 3.28Å; E188-F192 WeakPolarHBondContact O-CD2 3.28Å; E188-F192 PolarHBondContact O-N 3.18Å; E188-S267 WeakPolarHBondContact OE2-CB 3.35Å; E188-S267 PolarHBondContact OE2-OG 3.26Å; E188-Y272 HydrophobicContact CG-CD2 3.73Å; E188-Y272 HydrophobicContact CG-CE2 4.35Å; E188-Y272 HydrophobicContact CG-CG 4.45Å |
| 189 | K | 96.4 | Very high | 95.7 | Very high | 4 Ų | 4 | 23.8 Ų | 23.8 | 2% | 0.017 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.4 | -37.4 | 177 | -172 | 177.4 | -74 | -87.9 | 0 | 112.6 | F176 F177 A178 D179 A185 A186 I187 G193 L338 L346 F348 | F176-K189 HydrophobicContact CE2-CG 4.43Å; F176-K189 HydrophobicContact CZ-CG 4.16Å; F177-K189 HydrophobicContact CB-CB 4.42Å; F177-K189 PolarHBondContact O-NZ 2.99Å; A178-K189 WeakPolarHBondContact O-CE 3.49Å; A178-K189 PolarHBondContact O-NZ 2.84Å; D179-K189 WeakPolarHBondContact OD1-CE 3.38Å; D179-K189 IonicContact OD1-NZ 3.26Å; D179-K189 PolarHBondContact OD1-NZ 3.12Å; A185-K189 WeakPolarHBondContact O-CB 3.45Å; A185-K189 PolarHBondContact O-N 3.36Å; A186-K189 PolarHBondContact O-N 2.98Å; I187-K189 PolarHBondContact O-N 2.99Å; K189-G193 WeakPolarHBondContact O-CA 3.47Å; K189-G193 PolarHBondContact O-N 3.05Å; K189-L338 HydrophobicContact CD-CD1 4.47Å; K189-L338 HydrophobicContact CG-CD1 3.96Å; K189-L346 HydrophobicContact CD-CD2 4.12Å; K189-F348 HydrophobicContact CB-CE1 4.47Å; K189-F348 HydrophobicContact CD-CE1 4.01Å; K189-F348 HydrophobicContact CD-CZ 4.2Å |
| 190 | V | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -68.6 | -46.9 | 174.2 | 169.5 | 0 | 0 | 0 | 0 | 111.5 | A186 I187 E188 F192 G193 C194 L338 F348 F353 A356 W357 R360 | A186-V190 WeakPolarHBondContact O-CB 3.27Å; A186-V190 VanDerWaalsContact O-CG2 3.25Å; A186-V190 WeakPolarHBondContact O-CG2 3.29Å; A186-V190 PolarHBondContact O-N 3.22Å; I187-V190 PolarHBondContact O-N 3.3Å; E188-V190 VanDerWaalsContact C-N 3.35Å; E188-V190 PolarHBondContact O-N 3.36Å; V190-F192 VanDerWaalsContact C-N 3.27Å; V190-F192 PolarHBondContact O-N 3.44Å; V190-G193 PolarHBondContact O-N 2.95Å; V190-C194 HydrophobicContact CG1-CB 4.42Å; V190-C194 WeakPolarHBondContact O-CB 3.33Å; V190-C194 PolarHBondContact O-N 3.03Å; V190-C194 PolarHBondContact O-SG 2.79Å; V190-L338 HydrophobicContact CG2-CD2 4.14Å; V190-F348 HydrophobicContact CG2-CZ 4.36Å; V190-F353 HydrophobicContact CG1-CE2 4.46Å; V190-F353 HydrophobicContact CG2-CD2 3.7Å; V190-F353 HydrophobicContact CG2-CE2 3.93Å; V190-A356 HydrophobicContact CG2-CB 4.09Å; V190-W357 HydrophobicContact CG1-CB 4.13Å; V190-W357 HydrophobicContact CG1-CG 4.45Å; V190-R360 HydrophobicContact CG1-CB 4.48Å |
| 191 | T | 96.8 | Very high | 95.9 | Very high | 4 Ų | 4 | 18.3 Ų | 18.3 | 3% | 0.025 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -55.3 | -45.2 | 177 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | I187 E188 L196 Y272 M276 R360 | I187-T191 PolarHBondContact O-N 3.48Å; I187-T191 PolarHBondContact O-OG1 2.88Å; E188-T191 PolarHBondContact O-N 3.49Å; T191-L196 HydrophobicContact CG2-CD1 3.89Å; T191-L196 HydrophobicContact CG2-CG 4.27Å; T191-L196 WeakPolarHBondContact O-CB 3.44Å; T191-L196 WeakPolarHBondContact O-CG 3.47Å; T191-L196 PolarHBondContact O-N 3.25Å; T191-Y272 HydrophobicContact CG2-CE2 4.21Å; T191-Y272 WeakPolarHBondContact CG2-OH 3.09Å; T191-Y272 PolarHBondContact OG1-OH 2.88Å; T191-M276 HydrophobicContact CG2-CE 3.99Å; T191-M276 HydrophobicContact CG2-SD 4.47Å; T191-R360 HydrophobicContact CG2-CG 4.33Å; T191-R360 WeakPolarHBondContact OG1-CG 3.39Å |
| 192 | F | 96.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -82.8 | -29.2 | -175.4 | -79.4 | -99.7 | 0 | 0 | 0 | 113.8 | P175 F177 E188 V190 L196 A197 M214 M276 W279 | P175-F192 HydrophobicContact CB-CD1 3.61Å; P175-F192 HydrophobicContact CB-CE1 3.76Å; F177-F192 HydrophobicContact CD2-CB 4.02Å; F177-F192 HydrophobicContact CD2-CD1 4.33Å; F177-F192 AromaticContact CD2-CD2 3.84Å; F177-F192 HydrophobicContact CD2-CD2 3.84Å; F177-F192 HydrophobicContact CD2-CE2 4.47Å; F177-F192 AromaticContact CD2-CG 3.77Å; F177-F192 HydrophobicContact CD2-CG 3.77Å; F177-F192 HydrophobicContact CE2-CB 4.47Å; F177-F192 HydrophobicContact CE2-CD1 4.15Å; F177-F192 AromaticContact CE2-CD2 3.46Å; F177-F192 HydrophobicContact CE2-CD2 3.46Å; F177-F192 VanDerWaalsContact CE2-CD2 3.46Å; F177-F192 HydrophobicContact CE2-CE1 4.31Å; F177-F192 AromaticContact CE2-CE2 3.65Å; F177-F192 HydrophobicContact CE2-CE2 3.65Å; F177-F192 AromaticContact CE2-CG 3.74Å; F177-F192 HydrophobicContact CE2-CG 3.74Å; F177-F192 HydrophobicContact CE2-CZ 4.09Å; F177-F192 HydrophobicContact CZ-CE2 4.48Å; E188-F192 WeakPolarHBondContact O-CB 3.42Å; E188-F192 VanDerWaalsContact O-CD2 3.28Å; E188-F192 WeakPolarHBondContact O-CD2 3.28Å; E188-F192 PolarHBondContact O-N 3.18Å; V190-F192 VanDerWaalsContact C-N 3.27Å; V190-F192 PolarHBondContact O-N 3.44Å; F192-L196 HydrophobicContact CD1-CD1 3.87Å; F192-L196 HydrophobicContact CD2-CD1 3.98Å; F192-L196 HydrophobicContact CE1-CD1 3.75Å; F192-L196 HydrophobicContact CE2-CD1 3.86Å; F192-L196 HydrophobicContact CG-CD1 3.98Å; F192-L196 HydrophobicContact CZ-CD1 3.74Å; F192-A197 VanDerWaalsContact O-CB 3.26Å; F192-A197 WeakPolarHBondContact O-CB 3.46Å; F192-A197 PolarHBondContact O-N 2.86Å; F192-M214 HydrophobicContact CE1-CE 4.16Å; F192-M276 HydrophobicContact CE2-SD 4.37Å; F192-W279 AromaticContact CE1-CH2 3.76Å; F192-W279 HydrophobicContact CE1-CH2 3.76Å; F192-W279 AromaticContact CE1-CZ3 3.72Å; F192-W279 HydrophobicContact CE1-CZ3 3.72Å; F192-W279 HydrophobicContact CZ-CE3 4.44Å; F192-W279 AromaticContact CZ-CH2 3.8Å; F192-W279 HydrophobicContact CZ-CH2 3.8Å; F192-W279 AromaticContact CZ-CZ3 3.52Å; F192-W279 HydrophobicContact CZ-CZ3 3.52Å |
| 193 | G | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -93.5 | -12.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | K189 V190 | K189-G193 WeakPolarHBondContact O-CA 3.47Å; K189-G193 PolarHBondContact O-N 3.05Å; V190-G193 PolarHBondContact O-N 2.95Å |
| 194 | C | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107 | -106.9 | 178.5 | -61.3 | 0 | 0 | 0 | 0 | 109.4 | V190 L196 A197 R198 D334 | V190-C194 HydrophobicContact CG1-CB 4.42Å; V190-C194 WeakPolarHBondContact O-CB 3.33Å; V190-C194 PolarHBondContact O-N 3.03Å; V190-C194 PolarHBondContact O-SG 2.79Å; C194-L196 PolarHBondContact O-N 3.21Å; C194-A197 PolarHBondContact O-N 3.31Å; C194-R198 WeakPolarHBondContact O-CB 3.26Å; C194-R198 PolarHBondContact O-N 3.4Å; C194-D334 HydrophobicContact CB-CB 3.92Å; C194-D334 VanDerWaalsContact CB-CG 3.43Å; C194-D334 VanDerWaalsContact CB-OD1 3.31Å; C194-D334 WeakPolarHBondContact CB-OD1 3.27Å; C194-D334 PolarHBondContact SG-O 2.77Å |
| 195 | Y | 95.6 | Very high | 96.1 | Very high | 22 Ų | 22 | 13.8 Ų | 13.8 | 9% | 0.086 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -47.3 | -51.5 | -176.4 | 176.3 | -85.4 | 0 | 0 | 0 | 115 | R198 S199 E299 | Y195-R198 PolarHBondContact O-N 3.44Å; Y195-S199 PolarHBondContact O-N 3.36Å; Y195-S199 PolarHBondContact O-OG 2.76Å; Y195-E299 VanDerWaalsContact CE2-CD 3.46Å; Y195-E299 WeakPolarHBondContact CE2-OE1 3.44Å; Y195-E299 PolarHBondContact OH-OE1 3.27Å |
| 196 | L | 95.3 | Very high | 96 | Very high | 34 Ų | 34 | 17.6 Ų | 17.6 | 18% | 0.178 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.2 | -46.1 | -177.5 | -70 | 178.5 | 0 | 0 | 0 | 110.9 | T191 F192 C194 R198 S199 Y200 M276 W279 | T191-L196 HydrophobicContact CG2-CD1 3.89Å; T191-L196 HydrophobicContact CG2-CG 4.27Å; T191-L196 WeakPolarHBondContact O-CB 3.44Å; T191-L196 WeakPolarHBondContact O-CG 3.47Å; T191-L196 PolarHBondContact O-N 3.25Å; F192-L196 HydrophobicContact CD1-CD1 3.87Å; F192-L196 HydrophobicContact CD2-CD1 3.98Å; F192-L196 HydrophobicContact CE1-CD1 3.75Å; F192-L196 HydrophobicContact CE2-CD1 3.86Å; F192-L196 HydrophobicContact CG-CD1 3.98Å; F192-L196 HydrophobicContact CZ-CD1 3.74Å; C194-L196 PolarHBondContact O-N 3.21Å; L196-R198 VanDerWaalsContact C-N 3.34Å; L196-R198 PolarHBondContact O-N 2.88Å; L196-S199 PolarHBondContact O-N 3.05Å; L196-Y200 WeakPolarHBondContact O-CB 3.21Å; L196-Y200 PolarHBondContact O-N 2.93Å; L196-M276 HydrophobicContact CD1-CE 4.35Å; L196-W279 HydrophobicContact CD1-CZ3 4.48Å |
| 197 | A | 96.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.2 | -41.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L174 F192 C194 Y200 T201 I341 | L174-A197 HydrophobicContact CD1-CB 4.1Å; L174-A197 HydrophobicContact CD2-CB 3.94Å; F192-A197 VanDerWaalsContact O-CB 3.26Å; F192-A197 WeakPolarHBondContact O-CB 3.46Å; F192-A197 PolarHBondContact O-N 2.86Å; C194-A197 PolarHBondContact O-N 3.31Å; A197-Y200 PolarHBondContact O-N 3.46Å; A197-T201 WeakPolarHBondContact O-CB 3.49Å; A197-T201 WeakPolarHBondContact O-CG2 3.34Å; A197-T201 PolarHBondContact O-N 3.21Å; A197-T201 PolarHBondContact O-OG1 3.17Å; A197-I341 HydrophobicContact CB-CD1 3.34Å |
| 198 | R | 97.3 | Very high | 95.4 | Very high | 4 Ų | 4 | 24.1 Ų | 24.1 | 2% | 0.015 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -56.9 | -56.3 | 176.7 | -178.9 | -176.2 | 67.2 | 154.5 | 0.9 | 110.7 | Q26 F29 F30 S33 C194 Y195 L196 Y200 A202 C298 L337 | Q26-R198 VanDerWaalsContact OE1-NH2 3.16Å; F29-R198 HydrophobicContact CB-CG 4.2Å; F30-R198 HydrophobicContact CD1-CG 4.16Å; F30-R198 VanDerWaalsContact CE1-CD 3.48Å; F30-R198 HydrophobicContact CE1-CG 4.41Å; F30-R198 HydrophobicContact CG-CG 4.45Å; S33-R198 VanDerWaalsContact OG-CA 3.3Å; S33-R198 WeakPolarHBondContact OG-CA 3.35Å; S33-R198 PolarHBondContact OG-O 2.92Å; C194-R198 WeakPolarHBondContact O-CB 3.26Å; C194-R198 PolarHBondContact O-N 3.4Å; Y195-R198 PolarHBondContact O-N 3.44Å; L196-R198 VanDerWaalsContact C-N 3.34Å; L196-R198 PolarHBondContact O-N 2.88Å; R198-Y200 PolarHBondContact O-N 3.09Å; R198-A202 WeakPolarHBondContact O-CB 3.44Å; R198-A202 PolarHBondContact O-N 2.95Å; R198-C298 PolarHBondContact NH2-O 3.4Å; R198-L337 HydrophobicContact CB-CD2 3.74Å; R198-L337 HydrophobicContact CG-CD2 4.46Å |
| 199 | S | 95 | Very high | 94.6 | Very high | 25 Ų | 25 | 25.9 Ų | 25.9 | 18% | 0.175 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.7 | -44.4 | -179.1 | -56.8 | 0 | 0 | 0 | 0 | 111.8 | Y195 L196 L203 | Y195-S199 PolarHBondContact O-N 3.36Å; Y195-S199 PolarHBondContact O-OG 2.76Å; L196-S199 PolarHBondContact O-N 3.05Å; S199-L203 VanDerWaalsContact O-CB 3.25Å; S199-L203 WeakPolarHBondContact O-CB 3.42Å; S199-L203 WeakPolarHBondContact O-CD1 3.34Å; S199-L203 WeakPolarHBondContact O-CG 3.23Å; S199-L203 PolarHBondContact O-N 3.14Å |
| 200 | Y | 95.4 | Very high | 93.9 | Very high | 12 Ų | 12 | 27.2 Ų | 27.2 | 5% | 0.047 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.9 | -47.1 | -177.2 | -167.1 | -80.4 | 0 | 0 | 0 | 112.7 | H172 Q173 L174 P175 L196 A197 R198 N204 C210 T212 L255 | H172-Y200 AromaticContact CE1-CE1 3.89Å; H172-Y200 AromaticContact CE1-CZ 3.95Å; H172-Y200 AromaticContact ND1-CE1 3.88Å; H172-Y200 AromaticContact ND1-CZ 3.64Å; H172-Y200 PolarHBondContact ND1-OH 3.41Å; Q173-Y200 PolarHBondContact O-OH 2.96Å; L174-Y200 HydrophobicContact CB-CD1 4.41Å; L174-Y200 HydrophobicContact CB-CE1 4.3Å; L174-Y200 HydrophobicContact CD1-CD1 3.54Å; L174-Y200 HydrophobicContact CD1-CE1 4.13Å; L174-Y200 HydrophobicContact CD1-CG 3.8Å; P175-Y200 HydrophobicContact CG-CE2 4.27Å; L196-Y200 WeakPolarHBondContact O-CB 3.21Å; L196-Y200 PolarHBondContact O-N 2.93Å; A197-Y200 PolarHBondContact O-N 3.46Å; R198-Y200 PolarHBondContact O-N 3.09Å; Y200-N204 VanDerWaalsContact O-CB 3.31Å; Y200-N204 WeakPolarHBondContact O-CB 3.31Å; Y200-N204 PolarHBondContact O-N 3.38Å; Y200-N204 VanDerWaalsContact O-N 3.1Å; Y200-C210 HydrophobicContact CD2-CB 4.22Å; Y200-C210 WeakPolarHBondContact CD2-SG 3.21Å; Y200-C210 WeakPolarHBondContact CE2-O 3.11Å; Y200-C210 HydrophobicContact CG-CB 4.38Å; Y200-T212 HydrophobicContact CE2-CG2 3.94Å; Y200-T212 PolarHBondContact OH-OG1 2.99Å; Y200-L255 HydrophobicContact CE1-CD1 3.88Å |
| 201 | T | 95.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -71.5 | -42.1 | -179.6 | 56.8 | 0 | 0 | 0 | 0 | 111.8 | S33 T36 F41 L174 A197 N204 Q205 L255 | S33-T201 WeakPolarHBondContact CA-OG1 3.29Å; S33-T201 VanDerWaalsContact CB-OG1 3.29Å; S33-T201 WeakPolarHBondContact CB-OG1 3.47Å; S33-T201 PolarHBondContact OG-OG1 3.47Å; S33-T201 VanDerWaalsContact OG-OG1 3.11Å; T36-T201 HydrophobicContact CG2-CG2 4.37Å; F41-T201 HydrophobicContact CZ-CG2 4.03Å; L174-T201 HydrophobicContact CD1-CG2 4.32Å; L174-T201 HydrophobicContact CD2-CG2 3.99Å; A197-T201 WeakPolarHBondContact O-CB 3.49Å; A197-T201 WeakPolarHBondContact O-CG2 3.34Å; A197-T201 PolarHBondContact O-N 3.21Å; A197-T201 PolarHBondContact O-OG1 3.17Å; T201-N204 PolarHBondContact O-N 2.93Å; T201-Q205 WeakPolarHBondContact O-CG 3.27Å; T201-Q205 PolarHBondContact O-N 2.89Å; T201-L255 HydrophobicContact CG2-CD2 4.21Å |
| 202 | A | 96.9 | Very high | 93 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.5 | -49.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F29 I32 R198 N204 Q205 L206 | F29-A202 HydrophobicContact CB-CB 3.83Å; F29-A202 HydrophobicContact CD1-CB 3.82Å; F29-A202 HydrophobicContact CD2-CB 3.53Å; F29-A202 HydrophobicContact CE1-CB 4.18Å; F29-A202 HydrophobicContact CE2-CB 3.92Å; F29-A202 HydrophobicContact CG-CB 3.45Å; F29-A202 VanDerWaalsContact CG-CB 3.45Å; F29-A202 HydrophobicContact CZ-CB 4.22Å; I32-A202 HydrophobicContact CB-CB 4.41Å; I32-A202 HydrophobicContact CG2-CB 4.33Å; R198-A202 WeakPolarHBondContact O-CB 3.44Å; R198-A202 PolarHBondContact O-N 2.95Å; A202-N204 VanDerWaalsContact C-N 3.32Å; A202-N204 PolarHBondContact O-N 3.31Å; A202-Q205 PolarHBondContact O-N 3.4Å; A202-L206 VanDerWaalsContact O-CG 3.31Å; A202-L206 WeakPolarHBondContact O-CG 3.48Å; A202-L206 PolarHBondContact O-N 3.39Å |
| 203 | L | 95 | Very high | 92.5 | Very high | 50 Ų | 50 | 29.6 Ų | 29.6 | 26% | 0.262 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -58.5 | -44 | 177.1 | -73.5 | 171.4 | 0 | 0 | 0 | 111.8 | F29 S199 Q205 L206 G207 V208 C210 | F29-L203 HydrophobicContact CE2-CD2 4.18Å; F29-L203 HydrophobicContact CE2-CG 4.03Å; F29-L203 HydrophobicContact CZ-CD2 3.85Å; F29-L203 HydrophobicContact CZ-CG 4.15Å; S199-L203 VanDerWaalsContact O-CB 3.25Å; S199-L203 WeakPolarHBondContact O-CB 3.42Å; S199-L203 WeakPolarHBondContact O-CD1 3.34Å; S199-L203 WeakPolarHBondContact O-CG 3.23Å; S199-L203 PolarHBondContact O-N 3.14Å; L203-Q205 PolarHBondContact O-N 3.02Å; L203-L206 CarbonylContact O-C 3.58Å; L203-L206 PolarHBondContact O-N 2.96Å; L203-L206 VanDerWaalsContact O-N 3.17Å; L203-G207 PolarHBondContact O-N 3.37Å; L203-V208 CarbonylContact C-O 3.54Å; L203-V208 HydrophobicContact CB-CB 4.13Å; L203-V208 HydrophobicContact CD2-CB 4.03Å; L203-V208 HydrophobicContact CD2-CG1 4.08Å; L203-V208 HydrophobicContact CD2-CG2 4.25Å; L203-V208 WeakPolarHBondContact O-CB 3.31Å; L203-V208 PolarHBondContact O-N 3.25Å; L203-C210 HydrophobicContact CB-CB 4.08Å; L203-C210 HydrophobicContact CD1-CB 4.43Å |
| 204 | N | 93.9 | Very high | 92.2 | Very high | 25 Ų | 25 | 30.2 Ų | 30.2 | 13% | 0.134 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.6 | -43.2 | 177.9 | -178.9 | 96.1 | 0 | 0 | 0 | 112.7 | H172 Y200 T201 A202 L206 G207 L255 | H172-N204 PolarHBondContact NE2-OD1 2.83Å; Y200-N204 VanDerWaalsContact O-CB 3.31Å; Y200-N204 WeakPolarHBondContact O-CB 3.31Å; Y200-N204 PolarHBondContact O-N 3.38Å; Y200-N204 VanDerWaalsContact O-N 3.1Å; T201-N204 PolarHBondContact O-N 2.93Å; A202-N204 VanDerWaalsContact C-N 3.32Å; A202-N204 PolarHBondContact O-N 3.31Å; N204-L206 VanDerWaalsContact C-N 3.26Å; N204-L206 PolarHBondContact O-N 2.93Å; N204-G207 PolarHBondContact O-N 2.78Å; N204-G207 VanDerWaalsContact O-N 3.11Å; N204-L255 HydrophobicContact CB-CD2 4.41Å; N204-L255 WeakPolarHBondContact ND2-CB 3.32Å |
| 205 | Q | 93.9 | Very high | 92.2 | Very high | 83 Ų | 83 | 30.2 Ų | 30.2 | 39% | 0.388 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -67.2 | -28.6 | 176.4 | -66.2 | -54.1 | -30.8 | 0 | 0 | 112.8 | I32 T36 T201 A202 L203 G207 | I32-Q205 HydrophobicContact CG2-CB 3.55Å; I32-Q205 HydrophobicContact CG2-CG 3.7Å; T36-Q205 VanDerWaalsContact OG1-CG 3.23Å; T36-Q205 WeakPolarHBondContact OG1-CG 3.22Å; T36-Q205 PolarHBondContact OG1-NE2 3.09Å; T201-Q205 WeakPolarHBondContact O-CG 3.27Å; T201-Q205 PolarHBondContact O-N 2.89Å; A202-Q205 PolarHBondContact O-N 3.4Å; L203-Q205 PolarHBondContact O-N 3.02Å; Q205-G207 PolarHBondContact O-N 2.9Å |
| 206 | L | 94.3 | Very high | 92.3 | Very high | 98 Ų | 98 | 29.2 Ų | 29.2 | 51% | 0.513 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 8.1 | 173 | -64.4 | 171.1 | 0 | 0 | 0 | 113.1 | F29 I32 A202 L203 N204 V208 | F29-L206 HydrophobicContact CD1-CD1 4.44Å; F29-L206 HydrophobicContact CE1-CD1 3.59Å; F29-L206 HydrophobicContact CZ-CD1 4.12Å; I32-L206 HydrophobicContact CD1-CD1 4.36Å; I32-L206 HydrophobicContact CD1-CD2 4.16Å; I32-L206 HydrophobicContact CD1-CG 4.29Å; A202-L206 VanDerWaalsContact O-CG 3.31Å; A202-L206 WeakPolarHBondContact O-CG 3.48Å; A202-L206 PolarHBondContact O-N 3.39Å; L203-L206 CarbonylContact O-C 3.58Å; L203-L206 PolarHBondContact O-N 2.96Å; L203-L206 VanDerWaalsContact O-N 3.17Å; N204-L206 VanDerWaalsContact C-N 3.26Å; N204-L206 PolarHBondContact O-N 2.93Å; L206-V208 PolarHBondContact O-N 3.33Å |
| 207 | G | 90.3 | Very high | 92.4 | Very high | 64 Ų | 64 | 27.7 Ų | 27.7 | 66% | 0.66 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | 5.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L203 N204 Q205 | L203-G207 PolarHBondContact O-N 3.37Å; N204-G207 PolarHBondContact O-N 2.78Å; N204-G207 VanDerWaalsContact O-N 3.11Å; Q205-G207 PolarHBondContact O-N 2.9Å |
| 208 | V | 90.4 | Very high | 92.5 | Very high | 76 Ų | 76 | 27.7 Ų | 27.7 | 46% | 0.461 | 17% | 0.17 | S | C | . | . | trans | -83.6 | 122.2 | 177.2 | -176.8 | 0 | 0 | 0 | 0 | 109.2 | L203 L206 C210 | L203-V208 CarbonylContact C-O 3.54Å; L203-V208 HydrophobicContact CB-CB 4.13Å; L203-V208 HydrophobicContact CD2-CB 4.03Å; L203-V208 HydrophobicContact CD2-CG1 4.08Å; L203-V208 HydrophobicContact CD2-CG2 4.25Å; L203-V208 WeakPolarHBondContact O-CB 3.31Å; L203-V208 PolarHBondContact O-N 3.25Å; L206-V208 PolarHBondContact O-N 3.33Å; V208-C210 PolarHBondContact O-N 3.49Å | ||
| 209 | T | 79.2 | Confident | 92.5 | Very high | 43 Ų | 43 | 28.3 Ų | 28.3 | 26% | 0.264 | 17% | 0.173 | S | C | . | . | trans | -65.4 | 95.5 | -177.4 | -47.9 | 0 | 0 | 0 | 0 | 111.7 | F211 C247 V253 | T209-F211 HydrophobicContact CG2-CB 4.34Å; T209-C247 PolarHBondContact OG1-SG 2.8Å; T209-V253 HydrophobicContact CG2-CB 4.22Å; T209-V253 HydrophobicContact CG2-CG1 4.12Å; T209-V253 HydrophobicContact CG2-CG2 4.35Å | ||
| 210 | C | 81.3 | Confident | 92.7 | Very high | 32 Ų | 32 | 28.6 Ų | 28.6 | 22% | 0.216 | 17% | 0.171 | C | C | . | . | trans | -106.2 | 88.1 | 171.6 | -158.8 | 0 | 0 | 0 | 0 | 108.8 | H172 Y200 L203 V208 | H172-C210 PolarHBondContact CE1-O 3.42Å; Y200-C210 HydrophobicContact CD2-CB 4.22Å; Y200-C210 WeakPolarHBondContact CD2-SG 3.21Å; Y200-C210 WeakPolarHBondContact CE2-O 3.11Å; Y200-C210 HydrophobicContact CG-CB 4.38Å; L203-C210 HydrophobicContact CB-CB 4.08Å; L203-C210 HydrophobicContact CD1-CB 4.43Å; V208-C210 PolarHBondContact O-N 3.49Å | ||
| 211 | F | 87.3 | Confident | 92.8 | Very high | 13 Ų | 13 | 30.4 Ų | 30.4 | 6% | 0.057 | 19% | 0.185 | C | C | . | . | trans | -116.9 | 144.1 | -175.6 | 169.1 | -128.4 | 0 | 0 | 0 | 111.3 | I170 H172 T209 Y216 D239 L242 S243 V253 | I170-F211 HydrophobicContact CD1-CE1 4.32Å; I170-F211 HydrophobicContact CG2-CE2 4.42Å; H172-F211 HydrophobicContact CB-CD2 3.38Å; H172-F211 HydrophobicContact CB-CE2 3.61Å; H172-F211 AromaticContact CG-CD2 3.66Å; H172-F211 AromaticContact ND1-CD2 3.94Å; T209-F211 HydrophobicContact CG2-CB 4.34Å; F211-Y216 AromaticContact CE2-CD1 3.66Å; F211-Y216 HydrophobicContact CE2-CD1 3.66Å; F211-Y216 HydrophobicContact CE2-CD2 4.25Å; F211-Y216 HydrophobicContact CE2-CE1 4.31Å; F211-Y216 AromaticContact CE2-CG 3.62Å; F211-Y216 HydrophobicContact CE2-CG 3.62Å; F211-Y216 AromaticContact CZ-CD1 3.46Å; F211-Y216 HydrophobicContact CZ-CD1 3.46Å; F211-Y216 VanDerWaalsContact CZ-CD1 3.46Å; F211-Y216 AromaticContact CZ-CD2 3.75Å; F211-Y216 HydrophobicContact CZ-CD2 3.75Å; F211-Y216 AromaticContact CZ-CE1 3.67Å; F211-Y216 HydrophobicContact CZ-CE1 3.67Å; F211-Y216 AromaticContact CZ-CE2 3.95Å; F211-Y216 HydrophobicContact CZ-CE2 3.95Å; F211-Y216 AromaticContact CZ-CG 3.49Å; F211-Y216 HydrophobicContact CZ-CG 3.49Å; F211-Y216 VanDerWaalsContact CZ-CG 3.49Å; F211-Y216 AromaticContact CZ-CZ 3.9Å; F211-D239 HydrophobicContact CD1-CB 3.82Å; F211-D239 WeakPolarHBondContact CD1-O 3.28Å; F211-D239 VanDerWaalsContact CE1-CA 3.49Å; F211-D239 HydrophobicContact CE1-CB 3.5Å; F211-D239 VanDerWaalsContact CE1-O 3.31Å; F211-D239 WeakPolarHBondContact CE1-O 3.44Å; F211-D239 HydrophobicContact CZ-CB 4.02Å; F211-L242 HydrophobicContact CE1-CD1 4.15Å; F211-L242 HydrophobicContact CE1-CG 4.34Å; F211-S243 VanDerWaalsContact CD1-CB 3.46Å; F211-S243 WeakPolarHBondContact CD1-OG 3.34Å; F211-V253 HydrophobicContact CB-CG1 4.5Å | ||
| 212 | T | 87.7 | Confident | 92.9 | Very high | 29 Ų | 29 | 31.3 Ų | 31.3 | 18% | 0.178 | 19% | 0.19 | C | C | . | . | trans | -138.9 | 129.5 | 177 | 51.1 | 0 | 0 | 0 | 0 | 111.4 | P175 Y200 M214 D239 | P175-T212 HydrophobicContact CG-CG2 4.39Å; P175-T212 WeakPolarHBondContact CG-OG1 3.31Å; Y200-T212 HydrophobicContact CE2-CG2 3.94Å; Y200-T212 PolarHBondContact OH-OG1 2.99Å; T212-M214 PolarHBondContact O-N 2.71Å; T212-D239 WeakPolarHBondContact CA-OD2 3.1Å | ||
| 213 | G | 85.5 | Confident | 93 | Very high | 11 Ų | 11 | 31.4 Ų | 31.4 | 11% | 0.113 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 44.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | D239 | G213-D239 PolarHBondContact N-OD2 2.94Š|
| 214 | M | 92.7 | Very high | 93.1 | Very high | 13 Ų | 13 | 32.9 Ų | 32.9 | 6% | 0.064 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -48.1 | 175.1 | -68.1 | -171.2 | -165.7 | 0 | 0 | 113.7 | T146 V149 P175 F192 T212 V260 Q262 W279 | T146-M214 PolarHBondContact N-O 3.04Å; T146-M214 PolarHBondContact OG1-O 3.21Å; V149-M214 WeakPolarHBondContact CG2-O 3.35Å; P175-M214 HydrophobicContact CB-CE 3.77Å; P175-M214 HydrophobicContact CB-SD 3.94Å; P175-M214 HydrophobicContact CG-CE 4.04Å; P175-M214 HydrophobicContact CG-SD 4.2Å; F192-M214 HydrophobicContact CE1-CE 4.16Å; T212-M214 PolarHBondContact O-N 2.71Å; M214-V260 HydrophobicContact CB-CG1 4.09Å; M214-V260 HydrophobicContact CB-CG2 4.4Å; M214-V260 HydrophobicContact SD-CG1 4.06Å; M214-Q262 HydrophobicContact SD-CG 3.73Å; M214-W279 HydrophobicContact CE-CH2 3.32Å; M214-W279 HydrophobicContact CE-CZ2 3.61Å |
| 215 | S | 96.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.007 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 114.7 | -176.5 | -175.8 | 0 | 0 | 0 | 0 | 108.5 | W143 V144 Q173 V260 | W143-S215 PolarHBondContact NE1-OG 3.5Å; V144-S215 VanDerWaalsContact O-CA 3.28Å; V144-S215 WeakPolarHBondContact O-CA 3.48Å; Q173-S215 PolarHBondContact N-O 3.2Å; Q173-S215 PolarHBondContact OE1-OG 3.34Å; S215-V260 VanDerWaalsContact CB-CG2 3.49Å |
| 216 | Y | 97.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 148 | 178.4 | 63.6 | -83.4 | 0 | 0 | 0 | 111.3 | W143 V144 I170 V171 F211 V218 | W143-Y216 CarbonylContact C-O 3.43Å; W143-Y216 WeakPolarHBondContact CA-O 3.43Å; V144-Y216 HydrophobicContact CB-CD1 4.11Å; V144-Y216 HydrophobicContact CB-CE1 3.6Å; V144-Y216 HydrophobicContact CB-CE2 4.16Å; V144-Y216 HydrophobicContact CG1-CE1 3.76Å; V144-Y216 HydrophobicContact CG2-CE1 4.26Å; V144-Y216 HydrophobicContact CG2-CE2 4.09Å; V144-Y216 PolarHBondContact N-O 3.19Å; V144-Y216 PolarHBondContact O-N 3.31Å; V144-Y216 VanDerWaalsContact O-N 3.11Å; I170-Y216 HydrophobicContact CG2-CD2 4.34Å; V171-Y216 CarbonylContact O-C 3.55Å; V171-Y216 VanDerWaalsContact O-CA 3.24Å; V171-Y216 WeakPolarHBondContact O-CA 3.35Å; V171-Y216 WeakPolarHBondContact O-CB 3.39Å; F211-Y216 AromaticContact CE2-CD1 3.66Å; F211-Y216 HydrophobicContact CE2-CD1 3.66Å; F211-Y216 HydrophobicContact CE2-CD2 4.25Å; F211-Y216 HydrophobicContact CE2-CE1 4.31Å; F211-Y216 AromaticContact CE2-CG 3.62Å; F211-Y216 HydrophobicContact CE2-CG 3.62Å; F211-Y216 AromaticContact CZ-CD1 3.46Å; F211-Y216 HydrophobicContact CZ-CD1 3.46Å; F211-Y216 VanDerWaalsContact CZ-CD1 3.46Å; F211-Y216 AromaticContact CZ-CD2 3.75Å; F211-Y216 HydrophobicContact CZ-CD2 3.75Å; F211-Y216 AromaticContact CZ-CE1 3.67Å; F211-Y216 HydrophobicContact CZ-CE1 3.67Å; F211-Y216 AromaticContact CZ-CE2 3.95Å; F211-Y216 HydrophobicContact CZ-CE2 3.95Å; F211-Y216 AromaticContact CZ-CG 3.49Å; F211-Y216 HydrophobicContact CZ-CG 3.49Å; F211-Y216 VanDerWaalsContact CZ-CG 3.49Å; F211-Y216 AromaticContact CZ-CZ 3.9Å; Y216-V218 HydrophobicContact CD2-CB 4.24Å; Y216-V218 HydrophobicContact CD2-CG1 4.49Å; Y216-V218 HydrophobicContact CE2-CB 4.2Å; Y216-V218 HydrophobicContact CE2-CG1 4.11Å |
| 217 | I | 98 | Very high | 93.6 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 139.8 | 166.4 | -144.4 | 164.1 | 0 | 0 | 0 | 109.3 | V55 L141 V142 W143 F159 V160 A163 I170 V171 | V55-I217 HydrophobicContact CG1-CD1 3.98Å; V55-I217 HydrophobicContact CG2-CD1 4.1Å; L141-I217 HydrophobicContact CB-CD1 3.86Å; L141-I217 HydrophobicContact CB-CG1 4.13Å; L141-I217 HydrophobicContact CD1-CD1 4.34Å; V142-I217 CarbonylContact O-C 3.49Å; V142-I217 WeakPolarHBondContact O-CA 3.42Å; W143-I217 HydrophobicContact CB-CG1 4.15Å; F159-I217 HydrophobicContact CB-CB 4.1Å; F159-I217 HydrophobicContact CB-CD1 3.92Å; F159-I217 HydrophobicContact CB-CG2 3.96Å; F159-I217 HydrophobicContact CD2-CB 4.07Å; F159-I217 HydrophobicContact CD2-CD1 4.45Å; F159-I217 HydrophobicContact CG-CB 4.06Å; F159-I217 HydrophobicContact CG-CG2 4.21Å; V160-I217 HydrophobicContact CG2-CD1 4.35Å; A163-I217 HydrophobicContact CB-CG2 4.19Å; I170-I217 VanDerWaalsContact CA-O 3.29Å; I170-I217 WeakPolarHBondContact CA-O 3.24Å; V171-I217 HydrophobicContact CB-CG2 3.82Å; V171-I217 HydrophobicContact CG2-CG2 3.88Å; V171-I217 PolarHBondContact N-O 2.96Å; V171-I217 PolarHBondContact O-N 3.04Å |
| 218 | V | 98.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 142.8 | 174.4 | 63.3 | 0 | 0 | 0 | 0 | 110.4 | V142 A169 I170 Y216 K220 L223 L246 | V142-V218 HydrophobicContact CB-CG1 4.24Å; V142-V218 PolarHBondContact N-O 3.4Å; V142-V218 PolarHBondContact O-N 3.42Å; A169-V218 WeakPolarHBondContact O-CA 3.3Å; I170-V218 HydrophobicContact CD1-CG2 4.33Å; I170-V218 HydrophobicContact CG1-CB 4.04Å; I170-V218 HydrophobicContact CG1-CG2 3.75Å; Y216-V218 HydrophobicContact CD2-CB 4.24Å; Y216-V218 HydrophobicContact CD2-CG1 4.49Å; Y216-V218 HydrophobicContact CE2-CB 4.2Å; Y216-V218 HydrophobicContact CE2-CG1 4.11Å; V218-K220 PolarHBondContact O-N 3.03Å; V218-L223 HydrophobicContact CG1-CD2 4.19Å; V218-L223 HydrophobicContact CG2-CB 3.92Å; V218-L223 HydrophobicContact CG2-CD2 4.11Å; V218-L246 HydrophobicContact CG2-CD1 4.49Å |
| 219 | K | 98.5 | Very high | 94.2 | Very high | 17 Ų | 17 | 25.1 Ų | 25.1 | 7% | 0.074 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 110.6 | 168.4 | -74.4 | 173.6 | -177.1 | 161.3 | 0 | 109.6 | N140 L141 A163 D165 V168 A169 S221 M222 L223 | N140-K219 WeakPolarHBondContact O-CA 3.44Å; L141-K219 HydrophobicContact CD2-CG 3.79Å; A163-K219 WeakPolarHBondContact O-CE 3.34Å; A163-K219 PolarHBondContact O-NZ 3.06Å; D165-K219 PolarHBondContact O-NZ 2.83Å; V168-K219 VanDerWaalsContact O-CD 3.3Å; V168-K219 WeakPolarHBondContact O-CD 3.42Å; V168-K219 VanDerWaalsContact O-CE 3.23Å; V168-K219 WeakPolarHBondContact O-CE 3.32Å; V168-K219 PolarHBondContact O-NZ 3.41Å; A169-K219 PolarHBondContact O-N 3.48Å; K219-S221 PolarHBondContact O-N 3.05Å; K219-M222 HydrophobicContact CB-CB 4.26Å; K219-M222 HydrophobicContact CB-CG 4.19Å; K219-M222 HydrophobicContact CB-SD 3.97Å; K219-M222 HydrophobicContact CD-CE 3.58Å; K219-M222 HydrophobicContact CD-SD 3.54Å; K219-M222 VanDerWaalsContact CD-SD 3.54Å; K219-M222 HydrophobicContact CG-SD 4.37Å; K219-M222 PolarHBondContact O-N 3.07Å; K219-M222 VanDerWaalsContact O-N 3.13Å; K219-L223 PolarHBondContact O-N 3.45Å |
| 220 | K | 98.3 | Very high | 95 | Very high | 31 Ų | 31 | 24.4 Ų | 24.4 | 14% | 0.135 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -54.2 | -39.4 | 178.5 | 177.2 | 166.3 | 174.8 | 173.8 | 0 | 111.8 | Y134 E135 A137 N140 V142 V218 N224 | Y134-K220 HydrophobicContact CE1-CG 4.39Å; Y134-K220 HydrophobicContact CE2-CG 4.32Å; Y134-K220 WeakPolarHBondContact O-CE 3.05Å; Y134-K220 PolarHBondContact O-NZ 3.38Å; Y134-K220 PolarHBondContact OH-O 3.25Å; E135-K220 PolarHBondContact O-NZ 3.2Å; A137-K220 HydrophobicContact CB-CD 4.47Å; A137-K220 PolarHBondContact O-NZ 3.04Å; N140-K220 WeakPolarHBondContact O-CB 3.33Å; N140-K220 PolarHBondContact O-N 2.83Å; N140-K220 PolarHBondContact OD1-N 3.03Å; V142-K220 HydrophobicContact CG2-CB 4Å; V142-K220 HydrophobicContact CG2-CD 4.16Å; V218-K220 PolarHBondContact O-N 3.03Å; K220-N224 WeakPolarHBondContact O-CB 3.3Å; K220-N224 PolarHBondContact O-N 2.76Å; K220-N224 PolarHBondContact O-ND2 2.95Å; K220-N224 PolarHBondContact O-OD1 3.11Å |
| 221 | S | 98.1 | Very high | 95.8 | Very high | 50 Ų | 50 | 28.5 Ų | 28.5 | 35% | 0.35 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -54.1 | -56.7 | 172.9 | 55.2 | 0 | 0 | 0 | 0 | 112.4 | N140 K219 L223 N224 E225 | N140-S221 PolarHBondContact ND2-OG 3.39Å; N140-S221 WeakPolarHBondContact OD1-CB 3.08Å; N140-S221 PolarHBondContact OD1-N 3.21Å; N140-S221 PolarHBondContact OD1-OG 3.1Å; K219-S221 PolarHBondContact O-N 3.05Å; S221-L223 PolarHBondContact O-N 3.18Å; S221-N224 WeakPolarHBondContact O-CB 3.23Å; S221-N224 PolarHBondContact O-N 3.47Å; S221-E225 PolarHBondContact O-N 2.74Å |
| 222 | M | 98.3 | Very high | 96.3 | Very high | 19 Ų | 19 | 28 Ų | 28 | 9% | 0.094 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68 | -37.6 | -177.7 | -65.7 | 169.8 | -178.3 | 0 | 0 | 112.6 | P166 A169 K219 N224 E225 L246 Y251 | P166-M222 WeakPolarHBondContact O-CE 3.47Å; A169-M222 HydrophobicContact CB-CB 4.22Å; A169-M222 HydrophobicContact CB-SD 3.65Å; K219-M222 HydrophobicContact CB-CB 4.26Å; K219-M222 HydrophobicContact CB-CG 4.19Å; K219-M222 HydrophobicContact CB-SD 3.97Å; K219-M222 HydrophobicContact CD-CE 3.58Å; K219-M222 HydrophobicContact CD-SD 3.54Å; K219-M222 VanDerWaalsContact CD-SD 3.54Å; K219-M222 HydrophobicContact CG-SD 4.37Å; K219-M222 PolarHBondContact O-N 3.07Å; K219-M222 VanDerWaalsContact O-N 3.13Å; M222-N224 VanDerWaalsContact C-N 3.26Å; M222-N224 PolarHBondContact O-N 3.34Å; M222-E225 WeakPolarHBondContact O-CB 3.3Å; M222-E225 PolarHBondContact O-N 2.75Å; M222-L246 HydrophobicContact CB-CD2 4.1Å; M222-L246 WeakPolarHBondContact O-CD2 3.29Å; M222-Y251 HydrophobicContact CB-CD2 4.39Å; M222-Y251 HydrophobicContact CB-CE2 4.08Å; M222-Y251 HydrophobicContact CE-CD1 4.11Å; M222-Y251 HydrophobicContact CE-CE1 3.81Å; M222-Y251 HydrophobicContact CG-CD1 4.37Å; M222-Y251 HydrophobicContact CG-CE1 3.92Å; M222-Y251 HydrophobicContact CG-CE2 4.11Å; M222-Y251 HydrophobicContact SD-CD1 3.76Å; M222-Y251 HydrophobicContact SD-CE1 3.78Å; M222-Y251 HydrophobicContact SD-CG 4.22Å |
| 223 | L | 98.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.6 | -31.8 | 175.8 | -176.7 | 58.6 | 0 | 0 | 0 | 111.6 | Y134 V218 K219 S221 E225 V226 G228 L229 F232 L242 L246 | Y134-L223 HydrophobicContact CE2-CD2 3.87Å; V218-L223 HydrophobicContact CG1-CD2 4.19Å; V218-L223 HydrophobicContact CG2-CB 3.92Å; V218-L223 HydrophobicContact CG2-CD2 4.11Å; K219-L223 PolarHBondContact O-N 3.45Å; S221-L223 PolarHBondContact O-N 3.18Å; L223-E225 VanDerWaalsContact C-N 3.35Å; L223-V226 HydrophobicContact CD1-CG2 3.94Å; L223-V226 WeakPolarHBondContact O-CG2 3.38Å; L223-V226 PolarHBondContact O-N 3.24Å; L223-G228 VanDerWaalsContact O-CA 3.26Å; L223-G228 WeakPolarHBondContact O-CA 3.48Å; L223-G228 PolarHBondContact O-N 2.7Å; L223-L229 HydrophobicContact CD2-CB 4.25Å; L223-F232 HydrophobicContact CD1-CD2 4.17Å; L223-F232 HydrophobicContact CD1-CE2 3.78Å; L223-L242 HydrophobicContact CD1-CB 4.13Å; L223-L242 HydrophobicContact CD1-CD1 4.2Å; L223-L246 HydrophobicContact CD1-CD1 4.37Å |
| 224 | N | 97.5 | Very high | 97.2 | Very high | 81 Ų | 81 | 29.2 Ų | 29.2 | 43% | 0.433 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -68.9 | -30.6 | 174.4 | -68.3 | -10.5 | 0 | 0 | 0 | 112.7 | Y134 K220 S221 M222 V226 G227 | Y134-N224 PolarHBondContact OH-OD1 3.41Å; K220-N224 WeakPolarHBondContact O-CB 3.3Å; K220-N224 PolarHBondContact O-N 2.76Å; K220-N224 PolarHBondContact O-ND2 2.95Å; K220-N224 PolarHBondContact O-OD1 3.11Å; S221-N224 WeakPolarHBondContact O-CB 3.23Å; S221-N224 PolarHBondContact O-N 3.47Å; M222-N224 VanDerWaalsContact C-N 3.26Å; M222-N224 PolarHBondContact O-N 3.34Å; N224-V226 PolarHBondContact O-N 2.76Å; N224-G227 PolarHBondContact O-N 2.91Å |
| 225 | E | 97.7 | Very high | 97.3 | Very high | 106 Ų | 106 | 30.2 Ų | 30.2 | 50% | 0.495 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -65.1 | -16.6 | 175.1 | -64 | 178.7 | -128.9 | 0 | 0 | 114 | S221 M222 L223 Y251 | S221-E225 PolarHBondContact O-N 2.74Å; M222-E225 WeakPolarHBondContact O-CB 3.3Å; M222-E225 PolarHBondContact O-N 2.75Å; L223-E225 VanDerWaalsContact C-N 3.35Å; E225-Y251 PolarHBondContact OE1-OH 3.27Å; E225-Y251 PolarHBondContact OE2-OH 3.01Å; E225-Y251 VanDerWaalsContact OE2-OH 3.04Å |
| 226 | V | 97.3 | Very high | 97.3 | Very high | 20 Ų | 20 | 30.4 Ų | 30.4 | 12% | 0.121 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110 | 18.5 | 173.4 | -63 | 0 | 0 | 0 | 0 | 113 | L223 N224 Y231 F232 A245 L246 K249 | L223-V226 HydrophobicContact CD1-CG2 3.94Å; L223-V226 WeakPolarHBondContact O-CG2 3.38Å; L223-V226 PolarHBondContact O-N 3.24Å; N224-V226 PolarHBondContact O-N 2.76Å; V226-Y231 WeakPolarHBondContact O-CD1 3.36Å; V226-F232 HydrophobicContact CB-CZ 4.12Å; V226-F232 HydrophobicContact CG2-CE2 3.85Å; V226-F232 HydrophobicContact CG2-CZ 3.8Å; V226-F232 WeakPolarHBondContact O-CZ 3.22Å; V226-A245 HydrophobicContact CB-CB 4.17Å; V226-A245 HydrophobicContact CG1-CB 4.25Å; V226-A245 HydrophobicContact CG2-CB 4.43Å; V226-L246 HydrophobicContact CG1-CD2 4.39Å; V226-L246 HydrophobicContact CG2-CD2 3.94Å; V226-L246 HydrophobicContact CG2-CG 4.14Å; V226-K249 HydrophobicContact CG1-CD 4.42Å; V226-K249 HydrophobicContact CG1-CG 3.53Å |
| 227 | G | 96.1 | Very high | 97.1 | Very high | 49 Ų | 49 | 30.7 Ų | 30.7 | 51% | 0.505 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 102.9 | -1.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | N224 Y231 | N224-G227 PolarHBondContact O-N 2.91Å; G227-Y231 WeakPolarHBondContact O-CB 3.37Å |
| 228 | G | 96.4 | Very high | 97 | Very high | 6 Ų | 6 | 31 Ų | 31 | 6% | 0.062 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | 74.5 | 172.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L223 A230 Y231 F232 | L223-G228 VanDerWaalsContact O-CA 3.26Å; L223-G228 WeakPolarHBondContact O-CA 3.48Å; L223-G228 PolarHBondContact O-N 2.7Å; G228-A230 VanDerWaalsContact C-N 3.27Å; G228-A230 PolarHBondContact O-N 3.11Å; G228-Y231 PolarHBondContact O-N 3.45Å; G228-F232 WeakPolarHBondContact O-CD2 3.26Å |
| 229 | L | 97.2 | Very high | 96.8 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.1 | -37.3 | -174.7 | -178.1 | 61.1 | 0 | 0 | 0 | 113.3 | V127 M130 V131 Y134 L223 Y231 F232 | V127-L229 HydrophobicContact CG1-CD1 4.44Å; V127-L229 HydrophobicContact CG1-CG 4.14Å; V127-L229 VanDerWaalsContact CG1-O 3.31Å; V127-L229 WeakPolarHBondContact CG1-O 3.48Å; M130-L229 HydrophobicContact CB-CD2 4Å; M130-L229 HydrophobicContact CE-CD1 4.44Å; M130-L229 HydrophobicContact CE-CD2 4.32Å; V131-L229 HydrophobicContact CG2-CB 4.46Å; V131-L229 HydrophobicContact CG2-CD2 4.33Å; V131-L229 HydrophobicContact CG2-CG 4.18Å; Y134-L229 HydrophobicContact CD1-CB 3.77Å; Y134-L229 HydrophobicContact CD1-CD2 4.35Å; Y134-L229 HydrophobicContact CD2-CB 4.02Å; Y134-L229 HydrophobicContact CD2-CD2 3.8Å; Y134-L229 HydrophobicContact CE1-CB 3.89Å; Y134-L229 HydrophobicContact CE2-CB 4.14Å; Y134-L229 HydrophobicContact CG-CB 3.85Å; Y134-L229 HydrophobicContact CG-CD2 3.65Å; Y134-L229 HydrophobicContact CG-CG 4.41Å; L223-L229 HydrophobicContact CD2-CB 4.25Å; L229-Y231 VanDerWaalsContact C-N 3.33Å; L229-Y231 PolarHBondContact O-N 2.85Å; L229-F232 PolarHBondContact O-N 2.84Å |
| 230 | A | 97.3 | Very high | 96.6 | Very high | 29 Ų | 29 | 34.5 Ų | 34.5 | 24% | 0.24 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.2 | -36.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | K119 V131 G228 F232 G233 | K119-A230 HydrophobicContact CD-CB 4.35Å; V131-A230 HydrophobicContact CG1-CB 4.1Å; V131-A230 HydrophobicContact CG2-CB 3.84Å; G228-A230 VanDerWaalsContact C-N 3.27Å; G228-A230 PolarHBondContact O-N 3.11Å; A230-F232 VanDerWaalsContact C-N 3.32Å; A230-F232 PolarHBondContact O-N 3.14Å; A230-G233 PolarHBondContact O-N 2.87Å |
| 231 | Y | 97.2 | Very high | 96.5 | Very high | 117 Ų | 117 | 34.5 Ų | 34.5 | 46% | 0.459 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.5 | -35.6 | -177.7 | 172.1 | -103 | 0 | 0 | 0 | 112.9 | V226 G227 G228 L229 G233 K234 | V226-Y231 WeakPolarHBondContact O-CD1 3.36Å; G227-Y231 WeakPolarHBondContact O-CB 3.37Å; G228-Y231 PolarHBondContact O-N 3.45Å; L229-Y231 VanDerWaalsContact C-N 3.33Å; L229-Y231 PolarHBondContact O-N 2.85Å; Y231-G233 PolarHBondContact O-N 3.41Å; Y231-K234 WeakPolarHBondContact O-CG 3.26Å; Y231-K234 PolarHBondContact OH-NZ 2.87Å |
| 232 | F | 97.2 | Very high | 96.4 | Very high | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.018 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -77.8 | -8.9 | 176.5 | -60.6 | -77.3 | 0 | 0 | 0 | 113.3 | L223 V226 G228 L229 A230 K234 Y235 E238 F241 L242 A245 | L223-F232 HydrophobicContact CD1-CD2 4.17Å; L223-F232 HydrophobicContact CD1-CE2 3.78Å; V226-F232 HydrophobicContact CB-CZ 4.12Å; V226-F232 HydrophobicContact CG2-CE2 3.85Å; V226-F232 HydrophobicContact CG2-CZ 3.8Å; V226-F232 WeakPolarHBondContact O-CZ 3.22Å; G228-F232 WeakPolarHBondContact O-CD2 3.26Å; L229-F232 PolarHBondContact O-N 2.84Å; A230-F232 VanDerWaalsContact C-N 3.32Å; A230-F232 PolarHBondContact O-N 3.14Å; F232-K234 PolarHBondContact O-N 3.35Å; F232-Y235 HydrophobicContact CD1-CD2 4.4Å; F232-Y235 HydrophobicContact CD1-CE2 4.41Å; F232-Y235 PolarHBondContact O-N 3.35Å; F232-E238 HydrophobicContact CB-CB 4.17Å; F232-F241 HydrophobicContact CD1-CB 3.97Å; F232-F241 WeakPolarHBondContact CE1-O 3.37Å; F232-L242 HydrophobicContact CB-CB 4.25Å; F232-L242 HydrophobicContact CD1-CB 3.84Å; F232-L242 HydrophobicContact CD2-CB 3.62Å; F232-L242 HydrophobicContact CE1-CB 4.1Å; F232-L242 HydrophobicContact CE2-CB 3.89Å; F232-L242 HydrophobicContact CG-CB 3.6Å; F232-L242 HydrophobicContact CZ-CB 4.12Å; F232-A245 HydrophobicContact CE1-CB 3.79Å; F232-A245 HydrophobicContact CZ-CB 3.7Å |
| 233 | G | 96.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -1.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | V123 N124 A230 Y231 Y235 | V123-G233 PolarHBondContact N-O 3.34Å; V123-G233 VanDerWaalsContact N-O 3.12Å; N124-G233 WeakPolarHBondContact CB-O 3.38Å; N124-G233 PolarHBondContact N-O 2.93Å; A230-G233 PolarHBondContact O-N 2.87Å; Y231-G233 PolarHBondContact O-N 3.41Å; G233-Y235 VanDerWaalsContact C-N 3.32Å |
| 234 | K | 96.1 | Very high | 96.1 | Very high | 64 Ų | 64 | 32.9 Ų | 32.9 | 28% | 0.278 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -5.1 | 167.1 | 67.1 | -169.4 | 173.6 | 178.6 | 0 | 114.3 | Y231 F232 L392 T393 | Y231-K234 WeakPolarHBondContact O-CG 3.26Å; Y231-K234 PolarHBondContact OH-NZ 2.87Å; F232-K234 PolarHBondContact O-N 3.35Å; K234-L392 HydrophobicContact CB-CD2 4.46Å; K234-L392 HydrophobicContact CD-CD2 4.03Å; K234-L392 HydrophobicContact CG-CD2 4.1Å; K234-T393 WeakPolarHBondContact O-CB 3.31Å; K234-T393 PolarHBondContact O-N 2.92Å |
| 235 | Y | 95.9 | Very high | 96.1 | Very high | 33 Ų | 33 | 30 Ų | 30 | 13% | 0.129 | 16% | 0.164 | C | C | . | . | B | Isolated β-bridge | trans | -118.7 | 137.1 | 179.5 | -55 | -70.2 | 0 | 0 | 0 | 110.6 | N124 F232 G233 A237 F241 L392 | N124-Y235 WeakPolarHBondContact CB-O 3.29Å; N124-Y235 PolarHBondContact ND2-O 3.17Å; F232-Y235 HydrophobicContact CD1-CD2 4.4Å; F232-Y235 HydrophobicContact CD1-CE2 4.41Å; F232-Y235 PolarHBondContact O-N 3.35Å; G233-Y235 VanDerWaalsContact C-N 3.32Å; Y235-A237 VanDerWaalsContact C-N 3.3Å; Y235-F241 VanDerWaalsContact CB-CD2 3.5Å; Y235-F241 HydrophobicContact CD1-CD1 4.31Å; Y235-F241 AromaticContact CD1-CD2 3.53Å; Y235-F241 HydrophobicContact CD1-CD2 3.53Å; Y235-F241 HydrophobicContact CD1-CE1 4.32Å; Y235-F241 AromaticContact CD1-CE2 3.54Å; Y235-F241 HydrophobicContact CD1-CE2 3.54Å; Y235-F241 AromaticContact CD1-CG 3.94Å; Y235-F241 HydrophobicContact CD1-CG 3.94Å; Y235-F241 AromaticContact CD1-CZ 3.97Å; Y235-F241 HydrophobicContact CD1-CZ 3.97Å; Y235-F241 HydrophobicContact CD2-CB 3.57Å; Y235-F241 HydrophobicContact CD2-CD1 4.35Å; Y235-F241 AromaticContact CD2-CD2 3.73Å; Y235-F241 HydrophobicContact CD2-CD2 3.73Å; Y235-F241 AromaticContact CD2-CG 3.61Å; Y235-F241 HydrophobicContact CD2-CG 3.61Å; Y235-F241 HydrophobicContact CE1-CD1 4.05Å; Y235-F241 HydrophobicContact CE1-CD2 4.1Å; Y235-F241 HydrophobicContact CE1-CE1 4.02Å; Y235-F241 HydrophobicContact CE1-CE2 4.08Å; Y235-F241 HydrophobicContact CE1-CG 4.1Å; Y235-F241 HydrophobicContact CE1-CZ 4.05Å; Y235-F241 HydrophobicContact CE2-CB 3.8Å; Y235-F241 HydrophobicContact CE2-CD1 4.1Å; Y235-F241 HydrophobicContact CE2-CD2 4.29Å; Y235-F241 AromaticContact CE2-CG 3.79Å; Y235-F241 HydrophobicContact CE2-CG 3.79Å; Y235-F241 HydrophobicContact CG-CB 4.1Å; Y235-F241 HydrophobicContact CG-CD1 4.46Å; Y235-F241 AromaticContact CG-CD2 3.31Å; Y235-F241 HydrophobicContact CG-CD2 3.31Å; Y235-F241 AromaticContact CG-CE2 3.82Å; Y235-F241 HydrophobicContact CG-CE2 3.82Å; Y235-F241 AromaticContact CG-CG 3.69Å; Y235-F241 HydrophobicContact CG-CG 3.69Å; Y235-F241 AromaticContact CZ-CD1 3.94Å; Y235-L392 HydrophobicContact CD1-CD2 4.31Å; Y235-L392 HydrophobicContact CE1-CD2 3.66Å; Y235-L392 HydrophobicContact CE1-CG 3.97Å |
| 236 | L | 94.9 | Very high | 96.1 | Very high | 6 Ų | 6 | 25 Ų | 25 | 3% | 0.031 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -73.5 | -18.4 | 171.1 | -74.7 | -166.9 | 0 | 0 | 0 | 114.6 | N124 L282 I378 W380 Y385 I387 T393 | N124-L236 HydrophobicContact CB-CD2 4.44Å; L236-L282 HydrophobicContact CB-CD2 3.51Å; L236-L282 HydrophobicContact CD1-CD2 4.4Å; L236-I378 HydrophobicContact CD1-CB 4.28Å; L236-I378 HydrophobicContact CD1-CG2 4.05Å; L236-W380 HydrophobicContact CD1-CE3 4.45Å; L236-W380 HydrophobicContact CD2-CE3 3.89Å; L236-W380 HydrophobicContact CD2-CZ3 3.98Å; L236-Y385 HydrophobicContact CD1-CD2 4.03Å; L236-Y385 HydrophobicContact CD1-CG 3.9Å; L236-Y385 HydrophobicContact CD2-CD1 4.12Å; L236-Y385 HydrophobicContact CD2-CD2 4.38Å; L236-Y385 HydrophobicContact CD2-CE1 4.19Å; L236-Y385 HydrophobicContact CD2-CE2 4.47Å; L236-Y385 HydrophobicContact CD2-CG 4.22Å; L236-Y385 HydrophobicContact CG-CG 4.46Å; L236-I387 HydrophobicContact CD1-CD1 4.31Å; L236-I387 HydrophobicContact CD1-CG1 4.41Å; L236-T393 HydrophobicContact CD1-CG2 4.2Å; L236-T393 HydrophobicContact CD2-CG2 3.83Å; L236-T393 HydrophobicContact CG-CG2 3.54Å; L236-T393 PolarHBondContact N-OG1 3.11Å; L236-T393 VanDerWaalsContact N-OG1 3.08Å |
| 237 | A | 94.3 | Very high | 96 | Very high | 6 Ų | 6 | 26 Ų | 26 | 5% | 0.05 | 15% | 0.148 | C | C | . | . | trans | -108.6 | 63.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | Y235 D239 Y240 F241 L282 M286 | Y235-A237 VanDerWaalsContact C-N 3.3Å; A237-D239 VanDerWaalsContact CA-OD1 3.3Å; A237-D239 WeakPolarHBondContact CA-OD1 3.38Å; A237-D239 PolarHBondContact O-N 3.31Å; A237-Y240 PolarHBondContact O-N 2.92Å; A237-F241 VanDerWaalsContact O-CD2 3.3Å; A237-F241 WeakPolarHBondContact O-CD2 3.48Å; A237-F241 PolarHBondContact O-N 2.84Å; A237-L282 HydrophobicContact CB-CD2 4.26Å; A237-M286 HydrophobicContact CB-CE 3.54Å; A237-M286 HydrophobicContact CB-SD 3.53Å; A237-M286 VanDerWaalsContact CB-SD 3.53Å | ||
| 238 | E | 95.1 | Very high | 96 | Very high | 7 Ų | 7 | 32 Ų | 32 | 3% | 0.033 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.1 | -33 | -176.9 | 76.9 | -72.1 | 170.5 | 0 | 0 | 111.2 | N124 V127 F232 F241 L242 | N124-E238 PolarHBondContact ND2-OE2 3.45Å; V127-E238 HydrophobicContact CG2-CB 3.71Å; V127-E238 HydrophobicContact CG2-CG 3.52Å; F232-E238 HydrophobicContact CB-CB 4.17Å; E238-F241 PolarHBondContact O-N 3.25Å; E238-L242 HydrophobicContact CG-CD2 4.26Å; E238-L242 VanDerWaalsContact O-CB 3.27Å; E238-L242 WeakPolarHBondContact O-CB 3.39Å; E238-L242 VanDerWaalsContact O-CD2 3.32Å; E238-L242 WeakPolarHBondContact O-CD2 3.25Å; E238-L242 VanDerWaalsContact O-CG 3.22Å; E238-L242 WeakPolarHBondContact O-CG 3.31Å; E238-L242 PolarHBondContact O-N 2.97Å |
| 239 | D | 95 | Very high | 96 | Very high | 26 Ų | 26 | 37.8 Ų | 37.8 | 14% | 0.139 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -54.5 | -57.2 | 176.4 | 53.2 | -3.1 | 0 | 0 | 0 | 111.8 | F211 T212 G213 A237 F241 L242 S243 | F211-D239 HydrophobicContact CD1-CB 3.82Å; F211-D239 WeakPolarHBondContact CD1-O 3.28Å; F211-D239 VanDerWaalsContact CE1-CA 3.49Å; F211-D239 HydrophobicContact CE1-CB 3.5Å; F211-D239 VanDerWaalsContact CE1-O 3.31Å; F211-D239 WeakPolarHBondContact CE1-O 3.44Å; F211-D239 HydrophobicContact CZ-CB 4.02Å; T212-D239 WeakPolarHBondContact CA-OD2 3.1Å; G213-D239 PolarHBondContact N-OD2 2.94Å; A237-D239 VanDerWaalsContact CA-OD1 3.3Å; A237-D239 WeakPolarHBondContact CA-OD1 3.38Å; A237-D239 PolarHBondContact O-N 3.31Å; D239-F241 PolarHBondContact O-N 2.7Å; D239-L242 PolarHBondContact O-N 3.17Å; D239-S243 WeakPolarHBondContact O-CB 3.35Å; D239-S243 PolarHBondContact O-N 3.41Å; D239-S243 PolarHBondContact O-OG 3.29Å |
| 240 | Y | 94.5 | Very high | 95.9 | Very high | 66 Ų | 66 | 40.6 Ų | 40.6 | 26% | 0.259 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.5 | -50.7 | 178.3 | 175.4 | -103.5 | 0 | 0 | 0 | 111.5 | A237 S243 A244 M286 L287 | A237-Y240 PolarHBondContact O-N 2.92Å; Y240-S243 PolarHBondContact O-N 3.44Å; Y240-S243 PolarHBondContact O-OG 3.01Å; Y240-A244 WeakPolarHBondContact O-CB 3.45Å; Y240-A244 PolarHBondContact O-N 3.36Å; Y240-M286 HydrophobicContact CD1-CG 4.37Å; Y240-M286 HydrophobicContact CD1-SD 3.44Å; Y240-M286 WeakPolarHBondContact CD1-SD 3.18Å; Y240-M286 HydrophobicContact CE1-CB 4.36Å; Y240-M286 HydrophobicContact CE1-SD 4.21Å; Y240-M286 HydrophobicContact CG-SD 3.87Å; Y240-L287 HydrophobicContact CE2-CD1 4.31Å |
| 241 | F | 95.4 | Very high | 95.9 | Very high | 31 Ų | 31 | 41.5 Ų | 41.5 | 14% | 0.136 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -70.8 | -35.6 | -175.3 | -71.2 | -75.5 | 0 | 0 | 0 | 113.8 | F232 Y235 A237 E238 D239 A245 M286 G390 | F232-F241 HydrophobicContact CD1-CB 3.97Å; F232-F241 WeakPolarHBondContact CE1-O 3.37Å; Y235-F241 VanDerWaalsContact CB-CD2 3.5Å; Y235-F241 HydrophobicContact CD1-CD1 4.31Å; Y235-F241 AromaticContact CD1-CD2 3.53Å; Y235-F241 HydrophobicContact CD1-CD2 3.53Å; Y235-F241 HydrophobicContact CD1-CE1 4.32Å; Y235-F241 AromaticContact CD1-CE2 3.54Å; Y235-F241 HydrophobicContact CD1-CE2 3.54Å; Y235-F241 AromaticContact CD1-CG 3.94Å; Y235-F241 HydrophobicContact CD1-CG 3.94Å; Y235-F241 AromaticContact CD1-CZ 3.97Å; Y235-F241 HydrophobicContact CD1-CZ 3.97Å; Y235-F241 HydrophobicContact CD2-CB 3.57Å; Y235-F241 HydrophobicContact CD2-CD1 4.35Å; Y235-F241 AromaticContact CD2-CD2 3.73Å; Y235-F241 HydrophobicContact CD2-CD2 3.73Å; Y235-F241 AromaticContact CD2-CG 3.61Å; Y235-F241 HydrophobicContact CD2-CG 3.61Å; Y235-F241 HydrophobicContact CE1-CD1 4.05Å; Y235-F241 HydrophobicContact CE1-CD2 4.1Å; Y235-F241 HydrophobicContact CE1-CE1 4.02Å; Y235-F241 HydrophobicContact CE1-CE2 4.08Å; Y235-F241 HydrophobicContact CE1-CG 4.1Å; Y235-F241 HydrophobicContact CE1-CZ 4.05Å; Y235-F241 HydrophobicContact CE2-CB 3.8Å; Y235-F241 HydrophobicContact CE2-CD1 4.1Å; Y235-F241 HydrophobicContact CE2-CD2 4.29Å; Y235-F241 AromaticContact CE2-CG 3.79Å; Y235-F241 HydrophobicContact CE2-CG 3.79Å; Y235-F241 HydrophobicContact CG-CB 4.1Å; Y235-F241 HydrophobicContact CG-CD1 4.46Å; Y235-F241 AromaticContact CG-CD2 3.31Å; Y235-F241 HydrophobicContact CG-CD2 3.31Å; Y235-F241 AromaticContact CG-CE2 3.82Å; Y235-F241 HydrophobicContact CG-CE2 3.82Å; Y235-F241 AromaticContact CG-CG 3.69Å; Y235-F241 HydrophobicContact CG-CG 3.69Å; Y235-F241 AromaticContact CZ-CD1 3.94Å; A237-F241 VanDerWaalsContact O-CD2 3.3Å; A237-F241 WeakPolarHBondContact O-CD2 3.48Å; A237-F241 PolarHBondContact O-N 2.84Å; E238-F241 PolarHBondContact O-N 3.25Å; D239-F241 PolarHBondContact O-N 2.7Å; F241-A245 WeakPolarHBondContact O-CB 3.42Å; F241-A245 PolarHBondContact O-N 2.79Å; F241-M286 HydrophobicContact CD2-SD 4.33Å; F241-M286 HydrophobicContact CE2-CG 3.87Å; F241-M286 HydrophobicContact CE2-SD 3.53Å; F241-M286 VanDerWaalsContact CE2-SD 3.53Å; F241-M286 HydrophobicContact CZ-CG 3.83Å; F241-M286 HydrophobicContact CZ-SD 4.01Å; F241-G390 WeakPolarHBondContact CE1-O 3.45Å; F241-G390 WeakPolarHBondContact CZ-O 3.33Å |
| 242 | L | 96.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.5 | -38.3 | 177.5 | 80 | 86.2 | 0 | 0 | 0 | 111.3 | I170 F211 L223 F232 E238 D239 L246 | I170-L242 HydrophobicContact CD1-CD1 3.42Å; I170-L242 VanDerWaalsContact CD1-CD1 3.42Å; F211-L242 HydrophobicContact CE1-CD1 4.15Å; F211-L242 HydrophobicContact CE1-CG 4.34Å; L223-L242 HydrophobicContact CD1-CB 4.13Å; L223-L242 HydrophobicContact CD1-CD1 4.2Å; F232-L242 HydrophobicContact CB-CB 4.25Å; F232-L242 HydrophobicContact CD1-CB 3.84Å; F232-L242 HydrophobicContact CD2-CB 3.62Å; F232-L242 HydrophobicContact CE1-CB 4.1Å; F232-L242 HydrophobicContact CE2-CB 3.89Å; F232-L242 HydrophobicContact CG-CB 3.6Å; F232-L242 HydrophobicContact CZ-CB 4.12Å; E238-L242 HydrophobicContact CG-CD2 4.26Å; E238-L242 VanDerWaalsContact O-CB 3.27Å; E238-L242 WeakPolarHBondContact O-CB 3.39Å; E238-L242 VanDerWaalsContact O-CD2 3.32Å; E238-L242 WeakPolarHBondContact O-CD2 3.25Å; E238-L242 VanDerWaalsContact O-CG 3.22Å; E238-L242 WeakPolarHBondContact O-CG 3.31Å; E238-L242 PolarHBondContact O-N 2.97Å; D239-L242 PolarHBondContact O-N 3.17Å; L242-L246 HydrophobicContact CD1-CD1 4.23Å; L242-L246 WeakPolarHBondContact O-CD1 3.33Å; L242-L246 WeakPolarHBondContact O-CG 3.36Å; L242-L246 PolarHBondContact O-N 2.93Å |
| 243 | S | 95.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.007 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.8 | -40.6 | 175.6 | 63.3 | 0 | 0 | 0 | 0 | 112.5 | F211 D239 Y240 A245 L246 C247 | F211-S243 VanDerWaalsContact CD1-CB 3.46Å; F211-S243 WeakPolarHBondContact CD1-OG 3.34Å; D239-S243 WeakPolarHBondContact O-CB 3.35Å; D239-S243 PolarHBondContact O-N 3.41Å; D239-S243 PolarHBondContact O-OG 3.29Å; Y240-S243 PolarHBondContact O-N 3.44Å; Y240-S243 PolarHBondContact O-OG 3.01Å; S243-A245 PolarHBondContact O-N 3.44Å; S243-L246 PolarHBondContact O-N 2.84Å; S243-C247 PolarHBondContact O-N 3.01Å; S243-C247 PolarHBondContact O-SG 2.86Å |
| 244 | A | 95.1 | Very high | 95.8 | Very high | 35 Ų | 35 | 43.9 Ų | 43.9 | 29% | 0.289 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.5 | -43.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y240 L246 C247 Q248 | Y240-A244 WeakPolarHBondContact O-CB 3.45Å; Y240-A244 PolarHBondContact O-N 3.36Å; A244-L246 PolarHBondContact O-N 3.45Å; A244-C247 PolarHBondContact O-N 3.1Å; A244-Q248 WeakPolarHBondContact O-CB 3.45Å; A244-Q248 PolarHBondContact O-N 3.28Å |
| 245 | A | 96.7 | Very high | 95.8 | Very high | 21 Ų | 21 | 41.6 Ų | 41.6 | 17% | 0.174 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.2 | -38.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V226 F232 F241 S243 Q248 K249 | V226-A245 HydrophobicContact CB-CB 4.17Å; V226-A245 HydrophobicContact CG1-CB 4.25Å; V226-A245 HydrophobicContact CG2-CB 4.43Å; F232-A245 HydrophobicContact CE1-CB 3.79Å; F232-A245 HydrophobicContact CZ-CB 3.7Å; F241-A245 WeakPolarHBondContact O-CB 3.42Å; F241-A245 PolarHBondContact O-N 2.79Å; S243-A245 PolarHBondContact O-N 3.44Å; A245-Q248 PolarHBondContact O-N 3.42Å; A245-K249 PolarHBondContact O-N 2.94Å |
| 246 | L | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.5 | -41.8 | 175.3 | -72.8 | 166.3 | 0 | 0 | 0 | 112 | A169 I170 V218 M222 L223 V226 L242 S243 A244 Q248 K249 G250 Y251 | A169-L246 HydrophobicContact CB-CB 4.39Å; A169-L246 HydrophobicContact CB-CD1 4.05Å; A169-L246 HydrophobicContact CB-CD2 4.06Å; A169-L246 HydrophobicContact CB-CG 4.4Å; I170-L246 HydrophobicContact CD1-CD1 3.6Å; I170-L246 HydrophobicContact CG1-CD1 3.98Å; V218-L246 HydrophobicContact CG2-CD1 4.49Å; M222-L246 HydrophobicContact CB-CD2 4.1Å; M222-L246 WeakPolarHBondContact O-CD2 3.29Å; L223-L246 HydrophobicContact CD1-CD1 4.37Å; V226-L246 HydrophobicContact CG1-CD2 4.39Å; V226-L246 HydrophobicContact CG2-CD2 3.94Å; V226-L246 HydrophobicContact CG2-CG 4.14Å; L242-L246 HydrophobicContact CD1-CD1 4.23Å; L242-L246 WeakPolarHBondContact O-CD1 3.33Å; L242-L246 WeakPolarHBondContact O-CG 3.36Å; L242-L246 PolarHBondContact O-N 2.93Å; S243-L246 PolarHBondContact O-N 2.84Å; A244-L246 PolarHBondContact O-N 3.45Å; L246-Q248 VanDerWaalsContact C-N 3.32Å; L246-Q248 PolarHBondContact O-N 3.49Å; L246-K249 WeakPolarHBondContact O-CB 3.32Å; L246-K249 PolarHBondContact O-N 3.14Å; L246-K249 VanDerWaalsContact O-N 3.16Å; L246-G250 PolarHBondContact O-N 3.46Å; L246-Y251 HydrophobicContact CD2-CD2 3.84Å; L246-Y251 HydrophobicContact CD2-CE2 4.38Å; L246-Y251 WeakPolarHBondContact O-CB 3.38Å; L246-Y251 PolarHBondContact O-N 3.4Å |
| 247 | C | 96.2 | Very high | 95.8 | Very high | 41 Ų | 41 | 40.5 Ų | 40.5 | 28% | 0.277 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.9 | -39.1 | 172.9 | -68.8 | 0 | 0 | 0 | 0 | 111.9 | T209 S243 A244 K249 G250 Y251 V253 | T209-C247 PolarHBondContact OG1-SG 2.8Å; S243-C247 PolarHBondContact O-N 3.01Å; S243-C247 PolarHBondContact O-SG 2.86Å; A244-C247 PolarHBondContact O-N 3.1Å; C247-K249 PolarHBondContact O-N 3.41Å; C247-G250 WeakPolarHBondContact O-CA 3.46Å; C247-G250 PolarHBondContact O-N 2.87Å; C247-Y251 WeakPolarHBondContact CA-O 3.05Å; C247-V253 VanDerWaalsContact SG-CG2 3.58Å |
| 248 | Q | 95.8 | Very high | 95.9 | Very high | 177 Ų | 177 | 42 Ų | 42 | 83% | 0.827 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -66.3 | -25.2 | 176.1 | -166.5 | 178.1 | 18.7 | 0 | 0 | 112.9 | A244 A245 L246 G250 | A244-Q248 WeakPolarHBondContact O-CB 3.45Å; A244-Q248 PolarHBondContact O-N 3.28Å; A245-Q248 PolarHBondContact O-N 3.42Å; L246-Q248 VanDerWaalsContact C-N 3.32Å; L246-Q248 PolarHBondContact O-N 3.49Å; Q248-G250 VanDerWaalsContact C-N 3.25Å |
| 249 | K | 96.3 | Very high | 96 | Very high | 126 Ų | 126 | 42 Ų | 42 | 55% | 0.548 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -4.2 | 168.9 | -73.9 | -71.8 | -169.5 | 164.7 | 0 | 114 | V226 A245 L246 C247 Y251 | V226-K249 HydrophobicContact CG1-CD 4.42Å; V226-K249 HydrophobicContact CG1-CG 3.53Å; A245-K249 PolarHBondContact O-N 2.94Å; L246-K249 WeakPolarHBondContact O-CB 3.32Å; L246-K249 PolarHBondContact O-N 3.14Å; L246-K249 VanDerWaalsContact O-N 3.16Å; C247-K249 PolarHBondContact O-N 3.41Å; K249-Y251 HydrophobicContact CB-CD2 3.77Å; K249-Y251 HydrophobicContact CB-CE2 3.85Å |
| 250 | G | 96.1 | Very high | 96.1 | Very high | 62 Ų | 62 | 40.8 Ų | 40.8 | 64% | 0.639 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 88.9 | 6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L246 C247 Q248 | L246-G250 PolarHBondContact O-N 3.46Å; C247-G250 WeakPolarHBondContact O-CA 3.46Å; C247-G250 PolarHBondContact O-N 2.87Å; Q248-G250 VanDerWaalsContact C-N 3.25Å |
| 251 | Y | 97.3 | Very high | 96.1 | Very high | 47 Ų | 47 | 40.1 Ų | 40.1 | 18% | 0.184 | 21% | 0.214 | C | C | . | . | trans | -79.2 | 153.3 | 174.3 | -61.3 | -62.4 | 0 | 0 | 0 | 112.3 | A169 M222 E225 L246 C247 K249 | A169-Y251 HydrophobicContact CB-CD2 4.43Å; A169-Y251 HydrophobicContact CB-CG 4Å; M222-Y251 HydrophobicContact CB-CD2 4.39Å; M222-Y251 HydrophobicContact CB-CE2 4.08Å; M222-Y251 HydrophobicContact CE-CD1 4.11Å; M222-Y251 HydrophobicContact CE-CE1 3.81Å; M222-Y251 HydrophobicContact CG-CD1 4.37Å; M222-Y251 HydrophobicContact CG-CE1 3.92Å; M222-Y251 HydrophobicContact CG-CE2 4.11Å; M222-Y251 HydrophobicContact SD-CD1 3.76Å; M222-Y251 HydrophobicContact SD-CE1 3.78Å; M222-Y251 HydrophobicContact SD-CG 4.22Å; E225-Y251 PolarHBondContact OE1-OH 3.27Å; E225-Y251 PolarHBondContact OE2-OH 3.01Å; E225-Y251 VanDerWaalsContact OE2-OH 3.04Å; L246-Y251 HydrophobicContact CD2-CD2 3.84Å; L246-Y251 HydrophobicContact CD2-CE2 4.38Å; L246-Y251 WeakPolarHBondContact O-CB 3.38Å; L246-Y251 PolarHBondContact O-N 3.4Å; C247-Y251 WeakPolarHBondContact CA-O 3.05Å; K249-Y251 HydrophobicContact CB-CD2 3.77Å; K249-Y251 HydrophobicContact CB-CE2 3.85Å | ||
| 252 | R | 96.7 | Very high | 96.2 | Very high | 128 Ų | 128 | 38.8 Ų | 38.8 | 48% | 0.483 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 139 | 177.4 | -66.9 | 173.9 | 64.3 | -146.9 | 2.9 | 111.4 | D165 S167 V168 A169 V254 | D165-R252 IonicContact OD2-NH1 3.45Å; D165-R252 PolarHBondContact OD2-NH1 3.17Å; S167-R252 PolarHBondContact O-N 3.02Å; S167-R252 WeakPolarHBondContact OG-CD 3.5Å; V168-R252 WeakPolarHBondContact CA-O 3.23Å; V168-R252 HydrophobicContact CG2-CB 4.21Å; A169-R252 PolarHBondContact N-O 2.84Å; R252-V254 HydrophobicContact CB-CG1 4.1Å |
| 253 | V | 96.1 | Very high | 96.1 | Very high | 21 Ų | 21 | 39.1 Ų | 39.1 | 13% | 0.127 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 122.8 | 168.3 | 176.6 | 0 | 0 | 0 | 0 | 105.9 | I170 H172 T209 F211 C247 | I170-V253 HydrophobicContact CB-CG1 4.13Å; I170-V253 HydrophobicContact CB-CG2 4.21Å; I170-V253 HydrophobicContact CD1-CG2 4.4Å; I170-V253 HydrophobicContact CG2-CG1 4.1Å; H172-V253 VanDerWaalsContact CD2-CG1 3.47Å; H172-V253 WeakPolarHBondContact CD2-CG1 3.3Å; T209-V253 HydrophobicContact CG2-CB 4.22Å; T209-V253 HydrophobicContact CG2-CG1 4.12Å; T209-V253 HydrophobicContact CG2-CG2 4.35Å; F211-V253 HydrophobicContact CB-CG1 4.5Å; C247-V253 VanDerWaalsContact SG-CG2 3.58Å |
| 254 | V | 95.6 | Very high | 95.9 | Very high | 23 Ų | 23 | 39.8 Ų | 39.8 | 14% | 0.139 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 147.6 | -169.2 | -54.7 | 0 | 0 | 0 | 0 | 113.5 | K162 V168 I170 V171 H172 R252 | K162-V254 HydrophobicContact CB-CG2 4.31Å; V168-V254 HydrophobicContact CG1-CG1 4.45Å; V168-V254 HydrophobicContact CG1-CG2 3.64Å; V168-V254 HydrophobicContact CG2-CG1 3.9Å; V168-V254 HydrophobicContact CG2-CG2 4.17Å; I170-V254 PolarHBondContact O-N 3.27Å; V171-V254 VanDerWaalsContact CA-O 3.31Å; V171-V254 WeakPolarHBondContact CA-O 3.46Å; V171-V254 HydrophobicContact CB-CG2 4.35Å; V171-V254 HydrophobicContact CG1-CG2 4.17Å; V171-V254 HydrophobicContact CG2-CG2 3.94Å; H172-V254 PolarHBondContact CD2-O 3.05Å; H172-V254 PolarHBondContact N-O 3.28Å; R252-V254 HydrophobicContact CB-CG1 4.1Å |
| 255 | L | 95.9 | Very high | 95.5 | Very high | 16 Ų | 16 | 39.4 Ų | 39.4 | 8% | 0.084 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 131.1 | -178.1 | -171.8 | 55.8 | 0 | 0 | 0 | 112.6 | F41 K162 H172 L174 Y200 T201 N204 | F41-L255 HydrophobicContact CE1-CD2 4.02Å; F41-L255 HydrophobicContact CE1-CG 4.31Å; F41-L255 HydrophobicContact CZ-CD2 4.19Å; K162-L255 PolarHBondContact NZ-O 3.31Å; K162-L255 VanDerWaalsContact NZ-O 3.09Å; H172-L255 CarbonylContact O-C 3.3Å; L174-L255 HydrophobicContact CB-CD1 4.27Å; Y200-L255 HydrophobicContact CE1-CD1 3.88Å; T201-L255 HydrophobicContact CG2-CD2 4.21Å; N204-L255 HydrophobicContact CB-CD2 4.41Å; N204-L255 WeakPolarHBondContact ND2-CB 3.32Å |
| 256 | S | 95.6 | Very high | 95 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.007 | 23% | 0.234 | C | C | . | . | trans | -63.9 | 150 | 168.2 | 178.7 | 0 | 0 | 0 | 0 | 111.2 | D158 H172 Y258 | D158-S256 WeakPolarHBondContact OD2-CA 3.29Å; D158-S256 VanDerWaalsContact OD2-CB 3.25Å; D158-S256 WeakPolarHBondContact OD2-CB 3.36Å; D158-S256 PolarHBondContact OD2-OG 3.04Å; H172-S256 VanDerWaalsContact O-CB 3.31Å; H172-S256 WeakPolarHBondContact O-CB 3.41Å; H172-S256 PolarHBondContact O-N 2.99Å; S256-Y258 PolarHBondContact O-N 3.2Å; S256-Y258 PolarHBondContact OG-N 3.5Å; S256-Y258 PolarHBondContact OG-O 3.14Å | ||
| 257 | S | 95.7 | Very high | 94.4 | Very high | 16 Ų | 16 | 45.9 Ų | 45.9 | 11% | 0.112 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -82.3 | 4.3 | 176.6 | -74.9 | 0 | 0 | 0 | 0 | 112.2 | L40 F41 Y42 P43 D158 K162 | L40-S257 VanDerWaalsContact O-CB 3.25Å; L40-S257 WeakPolarHBondContact O-CB 3.31Å; L40-S257 PolarHBondContact O-OG 3.19Å; F41-S257 CarbonylContact C-O 3.59Å; F41-S257 VanDerWaalsContact CA-O 3.3Å; F41-S257 WeakPolarHBondContact CA-O 3.3Å; Y42-S257 PolarHBondContact N-O 2.81Å; P43-S257 VanDerWaalsContact CD-CB 3.49Å; D158-S257 PolarHBondContact OD2-N 2.61Å; K162-S257 PolarHBondContact NZ-OG 3.19Å |
| 258 | Y | 96.2 | Very high | 94.3 | Very high | 38 Ų | 38 | 47 Ų | 47 | 15% | 0.149 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -128.3 | 127.4 | 176.2 | -60.5 | -87.4 | 0 | 0 | 0 | 108.9 | Y42 E154 V155 D158 Q173 S256 | Y42-Y258 AromaticContact CD1-CD1 3.65Å; Y42-Y258 HydrophobicContact CD1-CD1 3.65Å; Y42-Y258 AromaticContact CD1-CE1 3.75Å; Y42-Y258 HydrophobicContact CD1-CE1 3.75Å; Y42-Y258 AromaticContact CE1-CD1 3.89Å; Y42-Y258 HydrophobicContact CE1-CD1 3.89Å; Y42-Y258 HydrophobicContact CE1-CE1 4.42Å; E154-Y258 HydrophobicContact CB-CD1 4.35Å; E154-Y258 HydrophobicContact CB-CE1 3.85Å; E154-Y258 HydrophobicContact CB-CE2 4.05Å; E154-Y258 HydrophobicContact CG-CE1 4.42Å; V155-Y258 HydrophobicContact CG2-CG 4.41Å; D158-Y258 HydrophobicContact CB-CD2 3.79Å; D158-Y258 HydrophobicContact CB-CE2 3.87Å; Q173-Y258 PolarHBondContact NE2-O 3.13Å; S256-Y258 PolarHBondContact O-N 3.2Å; S256-Y258 PolarHBondContact OG-N 3.5Å; S256-Y258 PolarHBondContact OG-O 3.14Å |
| 259 | P | 96.6 | Very high | 94.3 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 3% | 0.032 | 23% | 0.227 | C | C | . | . | trans | -67.5 | 153.1 | 171.5 | 29.2 | -33.9 | 0 | 0 | 0 | 111.1 | Y42 Q173 L174 F176 I261 I341 | Y42-P259 VanDerWaalsContact OH-CD 3.25Å; Y42-P259 WeakPolarHBondContact OH-CD 3.43Å; Y42-P259 WeakPolarHBondContact OH-CG 3.45Å; Q173-P259 PolarHBondContact NE2-O 2.88Å; L174-P259 HydrophobicContact CB-CB 4.18Å; L174-P259 HydrophobicContact CG-CB 4.48Å; L174-P259 CarbonylContact O-C 3.56Å; L174-P259 VanDerWaalsContact O-CA 3.25Å; L174-P259 WeakPolarHBondContact O-CA 3.48Å; L174-P259 VanDerWaalsContact O-CB 3.28Å; L174-P259 WeakPolarHBondContact O-CB 3.45Å; F176-P259 HydrophobicContact CB-CB 3.77Å; F176-P259 HydrophobicContact CB-CG 4.4Å; F176-P259 HydrophobicContact CG-CB 4.46Å; P259-I261 HydrophobicContact CG-CD1 4.3Å; P259-I261 PolarHBondContact O-N 2.76Å; P259-I341 HydrophobicContact CG-CG2 4.36Å | ||
| 260 | V | 97 | Very high | 94.3 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 119.4 | 173.7 | 54.1 | 0 | 0 | 0 | 0 | 109 | V149 Q173 L174 F176 M214 S215 Q262 | V149-V260 HydrophobicContact CB-CG2 4.29Å; V149-V260 HydrophobicContact CG1-CG2 3.87Å; V149-V260 HydrophobicContact CG2-CG2 3.62Å; Q173-V260 HydrophobicContact CB-CB 3.67Å; Q173-V260 HydrophobicContact CB-CG1 3.93Å; Q173-V260 HydrophobicContact CG-CB 4.3Å; L174-V260 WeakPolarHBondContact O-CG1 3.49Å; L174-V260 PolarHBondContact O-N 3.45Å; F176-V260 CarbonylContact C-O 3.48Å; F176-V260 WeakPolarHBondContact CA-O 3.38Å; F176-V260 PolarHBondContact N-O 2.88Å; M214-V260 HydrophobicContact CB-CG1 4.09Å; M214-V260 HydrophobicContact CB-CG2 4.4Å; M214-V260 HydrophobicContact SD-CG1 4.06Å; S215-V260 VanDerWaalsContact CB-CG2 3.49Å; V260-Q262 PolarHBondContact O-N 3.1Å |
| 261 | I | 95.6 | Very high | 94.1 | Very high | 53 Ų | 53 | 42.2 Ų | 42.2 | 27% | 0.272 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 102.9 | 179.6 | -55.1 | -54.4 | 0 | 0 | 0 | 109.2 | K150 F176 A178 P259 N263 | K150-I261 PolarHBondContact N-O 3.28Å; F176-I261 HydrophobicContact CD1-CD1 3.95Å; A178-I261 HydrophobicContact CB-CG2 3.71Å; P259-I261 HydrophobicContact CG-CD1 4.3Å; P259-I261 PolarHBondContact O-N 2.76Å; I261-N263 PolarHBondContact O-N 3.39Å |
| 262 | Q | 96 | Very high | 94 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.009 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 108.3 | 168.9 | -64.8 | 167.1 | 90 | 0 | 0 | 109.3 | R148 F176 F177 A178 M214 V260 R275 | R148-Q262 CarbonylContact O-C 3.56Å; R148-Q262 WeakPolarHBondContact O-CA 3.31Å; F176-Q262 VanDerWaalsContact O-CB 3.26Å; F176-Q262 WeakPolarHBondContact O-CB 3.34Å; F176-Q262 VanDerWaalsContact O-CG 3.31Å; F176-Q262 WeakPolarHBondContact O-CG 3.28Å; F176-Q262 PolarHBondContact O-N 3.01Å; F176-Q262 PolarHBondContact O-NE2 3.31Å; F177-Q262 HydrophobicContact CD1-CB 4.26Å; F177-Q262 HydrophobicContact CD2-CB 4.48Å; F177-Q262 HydrophobicContact CE1-CB 4.37Å; F177-Q262 VanDerWaalsContact CE2-NE2 3.26Å; F177-Q262 HydrophobicContact CG-CB 4.34Å; A178-Q262 WeakPolarHBondContact CB-O 3.42Å; A178-Q262 PolarHBondContact N-O 2.92Å; M214-Q262 HydrophobicContact SD-CG 3.73Å; V260-Q262 PolarHBondContact O-N 3.1Å; Q262-R275 VanDerWaalsContact OE1-CZ 3.24Å |
| 263 | N | 95.3 | Very high | 94 | Very high | 7 Ų | 7 | 35.9 Ų | 35.9 | 4% | 0.037 | 20% | 0.196 | C | C | . | . | trans | -98.5 | 101.1 | 176.2 | -174.7 | 35.3 | 0 | 0 | 0 | 108.9 | C67 E70 N71 R148 K150 A178 H180 I261 | C67-N263 VanDerWaalsContact CB-O 3.27Å; C67-N263 WeakPolarHBondContact CB-O 3.39Å; E70-N263 PolarHBondContact OE2-ND2 2.99Å; N71-N263 PolarHBondContact ND2-O 3.13Å; N71-N263 VanDerWaalsContact OD1-CB 3.25Å; N71-N263 WeakPolarHBondContact OD1-CB 3.48Å; N71-N263 PolarHBondContact OD1-ND2 3.01Å; R148-N263 PolarHBondContact O-N 3Å; K150-N263 HydrophobicContact CB-CB 4.16Å; A178-N263 HydrophobicContact CB-CB 4.07Å; H180-N263 PolarHBondContact NE2-OD1 2.61Å; I261-N263 PolarHBondContact O-N 3.39Å | ||
| 264 | V | 91 | Very high | 94 | Very high | 15 Ų | 15 | 41.8 Ų | 41.8 | 9% | 0.091 | 22% | 0.216 | C | C | . | . | trans | -144.8 | 120.2 | -178.2 | -177.3 | 0 | 0 | 0 | 0 | 107.7 | R148 H180 | R148-V264 HydrophobicContact CB-CG2 3.81Å; R148-V264 HydrophobicContact CG-CG2 3.58Å; H180-V264 PolarHBondContact CD2-O 3Å | ||
| 265 | S | 87.7 | Confident | 93.9 | Very high | 27 Ų | 27 | 41.8 Ų | 41.8 | 19% | 0.189 | 21% | 0.214 | C | C | . | . | trans | -92.6 | 174.9 | 170.9 | 63.1 | 0 | 0 | 0 | 0 | 111.1 | D66 C67 S267 | D66-S265 VanDerWaalsContact CB-OG 3.25Å; D66-S265 WeakPolarHBondContact CB-OG 3.28Å; D66-S265 PolarHBondContact OD2-OG 3.44Å; C67-S265 PolarHBondContact SG-N 2.94Å; C67-S265 VanDerWaalsContact SG-N 3.41Å; S265-S267 PolarHBondContact O-N 3.05Å | ||
| 266 | N | 84.8 | Confident | 93.9 | Very high | 131 Ų | 131 | 42 Ų | 42 | 70% | 0.701 | 21% | 0.214 | S | C | * | . | S | Bend | trans | 55.3 | 23.2 | 169.2 | -62.8 | -30.6 | 0 | 0 | 0 | 116.1 | D66 T268 | D66-N266 PolarHBondContact OD2-ND2 2.97Å; N266-T268 PolarHBondContact O-N 3Å |
| 267 | S | 85.5 | Confident | 93.9 | Very high | 26 Ų | 26 | 42.3 Ų | 42.3 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | trans | -56 | 123.4 | 169.7 | -76.1 | 0 | 0 | 0 | 0 | 111.8 | V184 E188 S265 | V184-S267 WeakPolarHBondContact CB-O 3.27Å; V184-S267 WeakPolarHBondContact CG1-O 3.2Å; E188-S267 WeakPolarHBondContact OE2-CB 3.35Å; E188-S267 PolarHBondContact OE2-OG 3.26Å; S265-S267 PolarHBondContact O-N 3.05Å | ||
| 268 | T | 93.6 | Very high | 93.9 | Very high | 65 Ų | 65 | 44.7 Ų | 44.7 | 40% | 0.399 | 22% | 0.223 | S | C | . | . | trans | -91.2 | 150.9 | 170 | 69.8 | 0 | 0 | 0 | 0 | 111 | N266 I270 N271 Y272 | N266-T268 PolarHBondContact O-N 3Å; T268-I270 PolarHBondContact O-N 3.46Å; T268-N271 PolarHBondContact O-N 2.63Å; T268-N271 WeakPolarHBondContact OG1-CB 3.49Å; T268-N271 PolarHBondContact OG1-N 2.9Å; T268-N271 PolarHBondContact OG1-ND2 2.75Å; T268-Y272 PolarHBondContact O-N 3.4Å | ||
| 269 | L | 95.4 | Very high | 93.8 | Very high | 70 Ų | 70 | 45.3 Ų | 45.3 | 37% | 0.366 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -57.8 | -37.2 | 178.5 | -178.7 | 61.7 | 0 | 0 | 0 | 112.1 | V184 I187 N271 Y272 I273 L363 | V184-L269 HydrophobicContact CG2-CB 4.18Å; I187-L269 HydrophobicContact CD1-CD1 4.31Å; L269-N271 PolarHBondContact O-N 2.93Å; L269-Y272 HydrophobicContact CD1-CD1 4.05Å; L269-Y272 WeakPolarHBondContact O-CB 3.41Å; L269-Y272 PolarHBondContact O-N 3.01Å; L269-I273 HydrophobicContact CD1-CD1 4.34Å; L269-I273 HydrophobicContact CD1-CG1 4.43Å; L269-I273 HydrophobicContact CG-CD1 4.01Å; L269-I273 WeakPolarHBondContact O-CG1 3.25Å; L269-I273 PolarHBondContact O-N 3.34Å; L269-L363 HydrophobicContact CD1-CD1 3.65Å; L269-L363 HydrophobicContact CD1-CD2 4.15Å |
| 270 | I | 95.7 | Very high | 93.8 | Very high | 112 Ų | 112 | 45.2 Ų | 45.2 | 57% | 0.574 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -63.2 | -40.9 | 176.1 | -62.3 | 170.9 | 0 | 0 | 0 | 111.1 | T268 R274 | T268-I270 PolarHBondContact O-N 3.46Å; I270-R274 VanDerWaalsContact CG2-NH2 3.34Å; I270-R274 VanDerWaalsContact O-CB 3.27Å; I270-R274 WeakPolarHBondContact O-CB 3.12Å; I270-R274 PolarHBondContact O-N 2.96Å |
| 271 | N | 93 | Very high | 93.8 | Very high | 83 Ų | 83 | 47 Ų | 47 | 44% | 0.444 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -68.7 | -38.3 | 177.5 | -72.4 | -12.6 | 0 | 0 | 0 | 111.7 | T268 L269 R274 R275 | T268-N271 PolarHBondContact O-N 2.63Å; T268-N271 WeakPolarHBondContact OG1-CB 3.49Å; T268-N271 PolarHBondContact OG1-N 2.9Å; T268-N271 PolarHBondContact OG1-ND2 2.75Å; L269-N271 PolarHBondContact O-N 2.93Å; N271-R274 PolarHBondContact OD1-NH1 3.38Å; N271-R275 WeakPolarHBondContact O-CB 3.47Å; N271-R275 PolarHBondContact O-N 2.87Å |
| 272 | Y | 95.1 | Very high | 93.7 | Very high | 7 Ų | 7 | 45.6 Ų | 45.6 | 3% | 0.027 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.6 | -54.2 | 170.9 | 166.4 | -101 | 0 | 0 | 0 | 111.8 | I187 E188 T191 T268 L269 R274 R275 M276 L363 | I187-Y272 HydrophobicContact CG2-CD1 4.38Å; I187-Y272 HydrophobicContact CG2-CE1 3.95Å; I187-Y272 HydrophobicContact CG2-CE2 4.39Å; E188-Y272 HydrophobicContact CG-CD2 3.73Å; E188-Y272 HydrophobicContact CG-CE2 4.35Å; E188-Y272 HydrophobicContact CG-CG 4.45Å; T191-Y272 HydrophobicContact CG2-CE2 4.21Å; T191-Y272 WeakPolarHBondContact CG2-OH 3.09Å; T191-Y272 PolarHBondContact OG1-OH 2.88Å; T268-Y272 PolarHBondContact O-N 3.4Å; L269-Y272 HydrophobicContact CD1-CD1 4.05Å; L269-Y272 WeakPolarHBondContact O-CB 3.41Å; L269-Y272 PolarHBondContact O-N 3.01Å; Y272-R274 VanDerWaalsContact C-N 3.34Å; Y272-R274 PolarHBondContact O-N 3.37Å; Y272-R275 WeakPolarHBondContact O-CB 3.28Å; Y272-R275 PolarHBondContact O-N 3.22Å; Y272-R275 VanDerWaalsContact O-N 3.14Å; Y272-M276 HydrophobicContact CD2-CG 4.05Å; Y272-M276 HydrophobicContact CE1-CG 4.27Å; Y272-M276 HydrophobicContact CE2-CG 3.56Å; Y272-M276 HydrophobicContact CE2-SD 4.14Å; Y272-M276 WeakPolarHBondContact O-CG 2.95Å; Y272-M276 PolarHBondContact O-N 3.27Å; Y272-L363 HydrophobicContact CE1-CD1 4.16Å |
| 273 | I | 96.5 | Very high | 93.7 | Very high | 34 Ų | 34 | 48.5 Ų | 48.5 | 17% | 0.174 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.7 | -47.7 | 179.1 | -66.7 | 166.5 | 0 | 0 | 0 | 110.3 | L269 R275 M276 V277 L363 V367 | L269-I273 HydrophobicContact CD1-CD1 4.34Å; L269-I273 HydrophobicContact CD1-CG1 4.43Å; L269-I273 HydrophobicContact CG-CD1 4.01Å; L269-I273 WeakPolarHBondContact O-CG1 3.25Å; L269-I273 PolarHBondContact O-N 3.34Å; I273-R275 VanDerWaalsContact C-N 3.28Å; I273-R275 PolarHBondContact O-N 3.11Å; I273-M276 PolarHBondContact O-N 3.14Å; I273-M276 VanDerWaalsContact O-N 3.17Å; I273-V277 HydrophobicContact CG2-CG2 4.06Å; I273-V277 WeakPolarHBondContact O-CB 3.42Å; I273-V277 VanDerWaalsContact O-CG2 3.3Å; I273-V277 WeakPolarHBondContact O-CG2 3.27Å; I273-V277 PolarHBondContact O-N 3.08Å; I273-L363 HydrophobicContact CD1-CD2 3.86Å; I273-L363 HydrophobicContact CG1-CD2 4.18Å; I273-V367 HydrophobicContact CG2-CG2 4.24Å |
| 274 | R | 95.3 | Very high | 93.7 | Very high | 146 Ų | 146 | 48.8 Ų | 48.8 | 55% | 0.551 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -59.9 | -37.8 | 179.5 | -168.2 | -176.5 | -61.7 | 116.7 | -3.2 | 112.3 | I270 N271 Y272 R278 | I270-R274 VanDerWaalsContact CG2-NH2 3.34Å; I270-R274 VanDerWaalsContact O-CB 3.27Å; I270-R274 WeakPolarHBondContact O-CB 3.12Å; I270-R274 PolarHBondContact O-N 2.96Å; N271-R274 PolarHBondContact OD1-NH1 3.38Å; Y272-R274 VanDerWaalsContact C-N 3.34Å; Y272-R274 PolarHBondContact O-N 3.37Å; R274-R278 WeakPolarHBondContact O-CB 3.4Å; R274-R278 PolarHBondContact O-N 3.39Å; R274-R278 VanDerWaalsContact O-N 3.1Å |
| 275 | R | 93.8 | Very high | 93.8 | Very high | 23 Ų | 23 | 48.2 Ų | 48.2 | 9% | 0.087 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.6 | -47.9 | 174.6 | 173.4 | -178.5 | 169.7 | 164.9 | 1.8 | 111.4 | Q262 N271 Y272 I273 R278 W279 | Q262-R275 VanDerWaalsContact OE1-CZ 3.24Å; N271-R275 WeakPolarHBondContact O-CB 3.47Å; N271-R275 PolarHBondContact O-N 2.87Å; Y272-R275 WeakPolarHBondContact O-CB 3.28Å; Y272-R275 PolarHBondContact O-N 3.22Å; Y272-R275 VanDerWaalsContact O-N 3.14Å; I273-R275 VanDerWaalsContact C-N 3.28Å; I273-R275 PolarHBondContact O-N 3.11Å; R275-R278 WeakPolarHBondContact O-CB 3.45Å; R275-R278 PolarHBondContact O-N 2.88Å; R275-W279 VanDerWaalsContact NH2-CH2 3.34Å; R275-W279 PolarHBondContact O-N 3.32Å |
| 276 | M | 95.8 | Very high | 94 | Very high | 19 Ų | 19 | 48.4 Ų | 48.4 | 9% | 0.094 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.9 | -41.7 | -179.1 | -66.2 | -55.8 | -67.9 | 0 | 0 | 112.1 | T191 F192 L196 Y272 I273 R278 W279 L280 V367 | T191-M276 HydrophobicContact CG2-CE 3.99Å; T191-M276 HydrophobicContact CG2-SD 4.47Å; F192-M276 HydrophobicContact CE2-SD 4.37Å; L196-M276 HydrophobicContact CD1-CE 4.35Å; Y272-M276 HydrophobicContact CD2-CG 4.05Å; Y272-M276 HydrophobicContact CE1-CG 4.27Å; Y272-M276 HydrophobicContact CE2-CG 3.56Å; Y272-M276 HydrophobicContact CE2-SD 4.14Å; Y272-M276 WeakPolarHBondContact O-CG 2.95Å; Y272-M276 PolarHBondContact O-N 3.27Å; I273-M276 PolarHBondContact O-N 3.14Å; I273-M276 VanDerWaalsContact O-N 3.17Å; M276-R278 VanDerWaalsContact C-N 3.35Å; M276-R278 PolarHBondContact O-N 2.84Å; M276-W279 PolarHBondContact O-N 3Å; M276-W279 HydrophobicContact SD-CE3 4.26Å; M276-L280 WeakPolarHBondContact O-CB 3.5Å; M276-L280 PolarHBondContact O-N 2.99Å; M276-V367 HydrophobicContact CB-CG1 3.91Å; M276-V367 HydrophobicContact CB-CG2 3.8Å |
| 277 | V | 97 | Very high | 94.3 | Very high | 9 Ų | 9 | 45.4 Ų | 45.4 | 6% | 0.055 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.7 | -46.1 | 172.4 | 168.1 | 0 | 0 | 0 | 0 | 111 | I273 W279 L280 R281 V367 T370 A371 | I273-V277 HydrophobicContact CG2-CG2 4.06Å; I273-V277 WeakPolarHBondContact O-CB 3.42Å; I273-V277 VanDerWaalsContact O-CG2 3.3Å; I273-V277 WeakPolarHBondContact O-CG2 3.27Å; I273-V277 PolarHBondContact O-N 3.08Å; V277-W279 VanDerWaalsContact C-N 3.35Å; V277-W279 PolarHBondContact O-N 3.25Å; V277-L280 PolarHBondContact O-N 2.98Å; V277-R281 HydrophobicContact CG1-CG 4.45Å; V277-R281 WeakPolarHBondContact O-CB 3.47Å; V277-R281 WeakPolarHBondContact O-CG 3.16Å; V277-R281 PolarHBondContact O-N 3.49Å; V277-V367 HydrophobicContact CG2-CB 4.29Å; V277-V367 HydrophobicContact CG2-CG1 4.08Å; V277-V367 HydrophobicContact CG2-CG2 4.29Å; V277-T370 HydrophobicContact CG1-CG2 4.14Å; V277-T370 HydrophobicContact CG2-CG2 3.89Å; V277-A371 HydrophobicContact CG1-CB 4.32Å |
| 278 | R | 95.3 | Very high | 94.6 | Very high | 66 Ų | 66 | 46.9 Ų | 46.9 | 25% | 0.249 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.8 | -46.5 | 176.8 | 179.3 | 176.7 | 66.3 | 179.4 | 3.7 | 111.6 | R274 R275 M276 R281 L282 I378 | R274-R278 WeakPolarHBondContact O-CB 3.4Å; R274-R278 PolarHBondContact O-N 3.39Å; R274-R278 VanDerWaalsContact O-N 3.1Å; R275-R278 WeakPolarHBondContact O-CB 3.45Å; R275-R278 PolarHBondContact O-N 2.88Å; M276-R278 VanDerWaalsContact C-N 3.35Å; M276-R278 PolarHBondContact O-N 2.84Å; R278-R281 PolarHBondContact O-N 3.4Å; R278-L282 WeakPolarHBondContact O-CG 3.25Å; R278-L282 PolarHBondContact O-N 2.94Å; R278-I378 HydrophobicContact CG-CD1 3.96Å; R278-I378 HydrophobicContact CG-CG2 3.67Å; R278-I378 WeakPolarHBondContact O-CD1 3.39Å |
| 279 | W | 94.5 | Very high | 94.6 | Very high | 51 Ų | 51 | 50.2 Ų | 50.2 | 19% | 0.193 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.8 | -39.7 | 179 | -78.2 | 4.1 | 0 | 0 | 0 | 113.3 | F192 L196 M214 R275 M276 V277 L282 R283 | F192-W279 AromaticContact CE1-CH2 3.76Å; F192-W279 HydrophobicContact CE1-CH2 3.76Å; F192-W279 AromaticContact CE1-CZ3 3.72Å; F192-W279 HydrophobicContact CE1-CZ3 3.72Å; F192-W279 HydrophobicContact CZ-CE3 4.44Å; F192-W279 AromaticContact CZ-CH2 3.8Å; F192-W279 HydrophobicContact CZ-CH2 3.8Å; F192-W279 AromaticContact CZ-CZ3 3.52Å; F192-W279 HydrophobicContact CZ-CZ3 3.52Å; L196-W279 HydrophobicContact CD1-CZ3 4.48Å; M214-W279 HydrophobicContact CE-CH2 3.32Å; M214-W279 HydrophobicContact CE-CZ2 3.61Å; R275-W279 VanDerWaalsContact NH2-CH2 3.34Å; R275-W279 PolarHBondContact O-N 3.32Å; M276-W279 PolarHBondContact O-N 3Å; M276-W279 HydrophobicContact SD-CE3 4.26Å; V277-W279 VanDerWaalsContact C-N 3.35Å; V277-W279 PolarHBondContact O-N 3.25Å; W279-L282 WeakPolarHBondContact O-CB 3.26Å; W279-L282 PolarHBondContact O-N 2.98Å; W279-R283 PolarHBondContact O-N 2.95Å; W279-R283 VanDerWaalsContact O-N 3.12Å; W279-R283 PolarHBondContact O-NH1 3.18Å |
| 280 | L | 95.9 | Very high | 94.4 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.5 | -43.1 | 175 | 179.2 | 57.8 | 0 | 0 | 0 | 111.2 | M276 V277 L282 R283 L284 V367 F368 A371 | M276-L280 WeakPolarHBondContact O-CB 3.5Å; M276-L280 PolarHBondContact O-N 2.99Å; V277-L280 PolarHBondContact O-N 2.98Å; L280-L282 VanDerWaalsContact C-N 3.3Å; L280-L282 PolarHBondContact O-N 2.93Å; L280-R283 PolarHBondContact O-N 3.09Å; L280-R283 VanDerWaalsContact O-N 3.13Å; L280-L284 HydrophobicContact CD1-CD1 4.33Å; L280-L284 HydrophobicContact CD1-CG 4.05Å; L280-L284 HydrophobicContact CG-CD1 3.95Å; L280-L284 HydrophobicContact CG-CG 4.19Å; L280-L284 WeakPolarHBondContact O-CB 3.22Å; L280-L284 VanDerWaalsContact O-CG 3.3Å; L280-L284 WeakPolarHBondContact O-CG 3.37Å; L280-L284 PolarHBondContact O-N 2.96Å; L280-V367 HydrophobicContact CB-CG1 4.39Å; L280-V367 HydrophobicContact CD2-CG1 4.01Å; L280-F368 HydrophobicContact CD1-CD1 4.47Å; L280-F368 HydrophobicContact CD1-CE1 3.82Å; L280-F368 HydrophobicContact CD1-CZ 4.2Å; L280-F368 HydrophobicContact CD2-CB 4.41Å; L280-F368 HydrophobicContact CD2-CD1 3.48Å; L280-F368 VanDerWaalsContact CD2-CD1 3.48Å; L280-F368 HydrophobicContact CD2-CD2 4.4Å; L280-F368 HydrophobicContact CD2-CE1 3.64Å; L280-F368 HydrophobicContact CD2-CG 3.86Å; L280-F368 HydrophobicContact CD2-CZ 4.15Å; L280-F368 HydrophobicContact CG-CE1 4.37Å; L280-A371 HydrophobicContact CB-CB 4.15Å; L280-A371 HydrophobicContact CD2-CB 3.57Å; L280-A371 HydrophobicContact CG-CB 3.83Å |
| 281 | R | 96.3 | Very high | 94.3 | Very high | 40 Ų | 40 | 44.7 Ų | 44.7 | 15% | 0.151 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.4 | -39.7 | 173.3 | -73.6 | -172.6 | -176.5 | 162.2 | 5.6 | 112.7 | V277 R278 N285 T370 A371 N374 P375 R377 I378 | V277-R281 HydrophobicContact CG1-CG 4.45Å; V277-R281 WeakPolarHBondContact O-CB 3.47Å; V277-R281 WeakPolarHBondContact O-CG 3.16Å; V277-R281 PolarHBondContact O-N 3.49Å; R278-R281 PolarHBondContact O-N 3.4Å; R281-N285 PolarHBondContact O-N 2.85Å; R281-N285 PolarHBondContact O-ND2 2.91Å; R281-T370 PolarHBondContact NH2-O 2.99Å; R281-A371 HydrophobicContact CG-CB 3.93Å; R281-A371 PolarHBondContact NE-O 3.24Å; R281-N374 VanDerWaalsContact CD-O 3.26Å; R281-N374 WeakPolarHBondContact CD-O 3.45Å; R281-N374 VanDerWaalsContact CZ-O 3.24Å; R281-N374 PolarHBondContact NE-O 3.41Å; R281-P375 WeakPolarHBondContact CB-O 3.18Å; R281-R377 WeakPolarHBondContact CD-O 3.31Å; R281-R377 PolarHBondContact NH1-O 2.98Å; R281-I378 HydrophobicContact CB-CD1 3.75Å; R281-I378 HydrophobicContact CB-CG1 3.95Å |
| 282 | L | 95.3 | Very high | 94.4 | Very high | 23 Ų | 23 | 42.1 Ų | 42.1 | 12% | 0.12 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.8 | -55.7 | 171.5 | -74.3 | 166.6 | 0 | 0 | 0 | 110.2 | L236 A237 R278 W279 L280 L284 N285 M286 I378 I387 | L236-L282 HydrophobicContact CB-CD2 3.51Å; L236-L282 HydrophobicContact CD1-CD2 4.4Å; A237-L282 HydrophobicContact CB-CD2 4.26Å; R278-L282 WeakPolarHBondContact O-CG 3.25Å; R278-L282 PolarHBondContact O-N 2.94Å; W279-L282 WeakPolarHBondContact O-CB 3.26Å; W279-L282 PolarHBondContact O-N 2.98Å; L280-L282 VanDerWaalsContact C-N 3.3Å; L280-L282 PolarHBondContact O-N 2.93Å; L282-L284 PolarHBondContact O-N 2.91Å; L282-N285 PolarHBondContact O-N 3Å; L282-M286 HydrophobicContact CB-CE 3.89Å; L282-M286 WeakPolarHBondContact O-CE 3.39Å; L282-M286 WeakPolarHBondContact O-CG 3.07Å; L282-M286 PolarHBondContact O-N 2.63Å; L282-I378 HydrophobicContact CD2-CD1 3.91Å; L282-I378 HydrophobicContact CG-CD1 3.66Å; L282-I387 HydrophobicContact CD2-CD1 3.63Å; L282-I387 HydrophobicContact CG-CD1 4.42Å |
| 283 | R | 94.4 | Very high | 94.3 | Very high | 62 Ų | 62 | 45.5 Ų | 45.5 | 23% | 0.234 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.3 | -35.8 | -176.6 | -58 | -168.4 | -60.7 | -77 | 2.4 | 113.8 | W279 L280 N285 M286 L287 S291 E295 | W279-R283 PolarHBondContact O-N 2.95Å; W279-R283 VanDerWaalsContact O-N 3.12Å; W279-R283 PolarHBondContact O-NH1 3.18Å; L280-R283 PolarHBondContact O-N 3.09Å; L280-R283 VanDerWaalsContact O-N 3.13Å; R283-N285 PolarHBondContact O-N 3.32Å; R283-N285 VanDerWaalsContact O-N 3.14Å; R283-M286 HydrophobicContact CG-CE 4.26Å; R283-M286 PolarHBondContact O-N 3.49Å; R283-L287 CarbonylContact O-C 3.56Å; R283-L287 PolarHBondContact O-N 2.94Å; R283-S291 WeakPolarHBondContact CB-OG 3.37Å; R283-E295 IonicContact CZ-OE1 3.71Å; R283-E295 IonicContact CZ-OE2 3.24Å; R283-E295 IonicContact NE-OE1 3.68Å; R283-E295 PolarHBondContact NE-OE1 3.29Å; R283-E295 IonicContact NE-OE2 3.43Å; R283-E295 PolarHBondContact NE-OE2 2.98Å; R283-E295 IonicContact NH2-OE1 2.77Å; R283-E295 IonicContact NH2-OE2 3.66Å; R283-E295 PolarHBondContact NH2-OE2 3.28Å |
| 284 | L | 95.1 | Very high | 94.1 | Very high | 13 Ų | 13 | 47.7 Ų | 47.7 | 7% | 0.068 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.8 | -28.5 | 175 | -75.7 | 169.6 | 0 | 0 | 0 | 113.5 | L280 L282 P288 A371 L372 P375 | L280-L284 HydrophobicContact CD1-CD1 4.33Å; L280-L284 HydrophobicContact CD1-CG 4.05Å; L280-L284 HydrophobicContact CG-CD1 3.95Å; L280-L284 HydrophobicContact CG-CG 4.19Å; L280-L284 WeakPolarHBondContact O-CB 3.22Å; L280-L284 VanDerWaalsContact O-CG 3.3Å; L280-L284 WeakPolarHBondContact O-CG 3.37Å; L280-L284 PolarHBondContact O-N 2.96Å; L282-L284 PolarHBondContact O-N 2.91Å; L284-P288 WeakPolarHBondContact O-CA 3.49Å; L284-P288 WeakPolarHBondContact O-CB 3.39Å; L284-A371 HydrophobicContact CD1-CB 4.12Å; L284-L372 HydrophobicContact CD1-CD2 3.93Å; L284-L372 HydrophobicContact CD1-CG 4.5Å; L284-L372 HydrophobicContact CD2-CD2 4.2Å; L284-P375 HydrophobicContact CD1-CB 4.24Å |
| 285 | N | 93.7 | Very high | 94.1 | Very high | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -96.6 | -7.2 | 177.1 | -64.8 | -90 | 0 | 0 | 0 | 113.7 | R281 L282 R283 P375 I387 G390 G391 | R281-N285 PolarHBondContact O-N 2.85Å; R281-N285 PolarHBondContact O-ND2 2.91Å; L282-N285 PolarHBondContact O-N 3Å; R283-N285 PolarHBondContact O-N 3.32Å; R283-N285 VanDerWaalsContact O-N 3.14Å; N285-P375 PolarHBondContact ND2-O 3.22Å; N285-I387 HydrophobicContact CB-CB 4.3Å; N285-I387 HydrophobicContact CB-CG2 3.5Å; N285-G390 PolarHBondContact O-N 2.87Å; N285-G391 PolarHBondContact O-N 3.41Å |
| 286 | M | 91.9 | Very high | 94.2 | Very high | 32 Ų | 32 | 42.1 Ų | 42.1 | 16% | 0.158 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -100.7 | -46.2 | 176.2 | -67 | -173.2 | -75.8 | 0 | 0 | 112.2 | A237 Y240 F241 L282 R283 | A237-M286 HydrophobicContact CB-CE 3.54Å; A237-M286 HydrophobicContact CB-SD 3.53Å; A237-M286 VanDerWaalsContact CB-SD 3.53Å; Y240-M286 HydrophobicContact CD1-CG 4.37Å; Y240-M286 HydrophobicContact CD1-SD 3.44Å; Y240-M286 WeakPolarHBondContact CD1-SD 3.18Å; Y240-M286 HydrophobicContact CE1-CB 4.36Å; Y240-M286 HydrophobicContact CE1-SD 4.21Å; Y240-M286 HydrophobicContact CG-SD 3.87Å; F241-M286 HydrophobicContact CD2-SD 4.33Å; F241-M286 HydrophobicContact CE2-CG 3.87Å; F241-M286 HydrophobicContact CE2-SD 3.53Å; F241-M286 VanDerWaalsContact CE2-SD 3.53Å; F241-M286 HydrophobicContact CZ-CG 3.83Å; F241-M286 HydrophobicContact CZ-SD 4.01Å; L282-M286 HydrophobicContact CB-CE 3.89Å; L282-M286 WeakPolarHBondContact O-CE 3.39Å; L282-M286 WeakPolarHBondContact O-CG 3.07Å; L282-M286 PolarHBondContact O-N 2.63Å; R283-M286 HydrophobicContact CG-CE 4.26Å; R283-M286 PolarHBondContact O-N 3.49Å |
| 287 | L | 91.5 | Very high | 94.1 | Very high | 67 Ų | 67 | 43.8 Ų | 43.8 | 35% | 0.351 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -134.9 | 64.6 | -173.7 | -64.5 | 172.7 | 0 | 0 | 0 | 109.8 | Y240 R283 L289 V290 S291 | Y240-L287 HydrophobicContact CE2-CD1 4.31Å; R283-L287 CarbonylContact O-C 3.56Å; R283-L287 PolarHBondContact O-N 2.94Å; L287-L289 VanDerWaalsContact C-N 3.32Å; L287-L289 PolarHBondContact O-N 3.14Å; L287-V290 HydrophobicContact CB-CB 4.09Å; L287-V290 HydrophobicContact CB-CG2 4.24Å; L287-V290 PolarHBondContact O-N 3.29Å; L287-V290 VanDerWaalsContact O-N 3.11Å; L287-S291 PolarHBondContact O-N 2.92Å |
| 288 | P | 91.8 | Very high | 94.1 | Very high | 58 Ų | 58 | 43.9 Ų | 43.9 | 38% | 0.377 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58 | -37.6 | -169.1 | 20 | -32.5 | 0 | 0 | 0 | 114.1 | L284 G292 F389 | L284-P288 WeakPolarHBondContact O-CA 3.49Å; L284-P288 WeakPolarHBondContact O-CB 3.39Å; P288-G292 VanDerWaalsContact O-CA 3.23Å; P288-G292 WeakPolarHBondContact O-CA 3.31Å; P288-G292 PolarHBondContact O-N 3.47Å; P288-F389 HydrophobicContact CB-CE1 4.18Å; P288-F389 HydrophobicContact CG-CD1 4.45Å; P288-F389 HydrophobicContact CG-CE1 4.33Å |
| 289 | L | 92.4 | Very high | 94.1 | Very high | 135 Ų | 135 | 40.8 Ų | 40.8 | 71% | 0.707 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -69.7 | -41.1 | 177.9 | -63 | 177.6 | 0 | 0 | 0 | 112.1 | L287 V293 L294 | L287-L289 VanDerWaalsContact C-N 3.32Å; L287-L289 PolarHBondContact O-N 3.14Å; L289-V293 WeakPolarHBondContact O-CB 3.4Å; L289-V293 PolarHBondContact O-N 3.34Å; L289-V293 VanDerWaalsContact O-N 3.16Å; L289-L294 PolarHBondContact O-N 2.94Å |
| 290 | V | 93.1 | Very high | 94.2 | Very high | 65 Ų | 65 | 38.4 Ų | 38.4 | 39% | 0.394 | 21% | 0.212 | S | C | . | . | I | π-helix | trans | -67.4 | -53.8 | 178.9 | -176.4 | 0 | 0 | 0 | 0 | 109.7 | L287 L294 E295 | L287-V290 HydrophobicContact CB-CB 4.09Å; L287-V290 HydrophobicContact CB-CG2 4.24Å; L287-V290 PolarHBondContact O-N 3.29Å; L287-V290 VanDerWaalsContact O-N 3.11Å; V290-L294 CarbonylContact O-C 3.59Å; V290-L294 WeakPolarHBondContact O-CA 3.38Å; V290-L294 WeakPolarHBondContact O-CB 3.26Å; V290-L294 PolarHBondContact O-N 2.76Å; V290-E295 PolarHBondContact O-N 3.42Å |
| 291 | S | 93.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -84.1 | -21.5 | -172.8 | -56.6 | 0 | 0 | 0 | 0 | 114.6 | R283 L287 E295 F368 | R283-S291 WeakPolarHBondContact CB-OG 3.37Å; L287-S291 PolarHBondContact O-N 2.92Å; S291-E295 WeakPolarHBondContact CA-OE1 3.49Å; S291-E295 VanDerWaalsContact CB-OE1 3.26Å; S291-E295 WeakPolarHBondContact CB-OE1 3.4Å; S291-E295 PolarHBondContact OG-OE1 3.3Å; S291-F368 WeakPolarHBondContact O-CE1 2.9Å |
| 292 | G | 93.4 | Very high | 94.3 | Very high | 30 Ų | 30 | 39.9 Ų | 39.9 | 31% | 0.309 | 22% | 0.223 | S | C | . | . | I | π-helix | trans | -89.5 | -26.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | P288 | P288-G292 VanDerWaalsContact O-CA 3.23Å; P288-G292 WeakPolarHBondContact O-CA 3.31Å; P288-G292 PolarHBondContact O-N 3.47Å |
| 293 | V | 93.5 | Very high | 94.4 | Very high | 78 Ų | 78 | 38.8 Ų | 38.8 | 47% | 0.473 | 22% | 0.218 | S | C | . | . | I | π-helix | trans | -122.7 | -54.6 | -174.4 | -170.8 | 0 | 0 | 0 | 0 | 112.1 | L289 P296 L297 | L289-V293 WeakPolarHBondContact O-CB 3.4Å; L289-V293 PolarHBondContact O-N 3.34Å; L289-V293 VanDerWaalsContact O-N 3.16Å; V293-P296 WeakPolarHBondContact O-CD 3.16Å; V293-P296 WeakPolarHBondContact O-CG 3.47Å; V293-L297 HydrophobicContact CG1-CD1 3.97Å; V293-L297 WeakPolarHBondContact O-CD1 3.32Å; V293-L297 WeakPolarHBondContact O-CG 3.42Å; V293-L297 PolarHBondContact O-N 3.04Å |
| 294 | L | 93.6 | Very high | 94.6 | Very high | 79 Ų | 79 | 35.9 Ų | 35.9 | 41% | 0.414 | 21% | 0.207 | S | C | . | . | I | π-helix | trans | -73.2 | -44.7 | -173.1 | -61.1 | 178.5 | 0 | 0 | 0 | 113.6 | L22 L289 V290 L297 C298 | L22-L294 HydrophobicContact CD2-CD2 4.49Å; L289-L294 PolarHBondContact O-N 2.94Å; V290-L294 CarbonylContact O-C 3.59Å; V290-L294 WeakPolarHBondContact O-CA 3.38Å; V290-L294 WeakPolarHBondContact O-CB 3.26Å; V290-L294 PolarHBondContact O-N 2.76Å; L294-L297 PolarHBondContact O-N 3.2Å; L294-C298 WeakPolarHBondContact O-CB 3.4Å; L294-C298 PolarHBondContact O-N 3.37Å; L294-C298 VanDerWaalsContact O-N 3.11Å; L294-C298 PolarHBondContact O-SG 2.74Å |
| 295 | E | 94.7 | Very high | 94.7 | Very high | 25 Ų | 25 | 39.1 Ų | 39.1 | 12% | 0.117 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -52.9 | -54.9 | 177.7 | -75.8 | -177.6 | -143 | 0 | 0 | 113 | R283 V290 S291 L297 C298 E299 F368 | R283-E295 IonicContact CZ-OE1 3.71Å; R283-E295 IonicContact CZ-OE2 3.24Å; R283-E295 IonicContact NE-OE1 3.68Å; R283-E295 PolarHBondContact NE-OE1 3.29Å; R283-E295 IonicContact NE-OE2 3.43Å; R283-E295 PolarHBondContact NE-OE2 2.98Å; R283-E295 IonicContact NH2-OE1 2.77Å; R283-E295 IonicContact NH2-OE2 3.66Å; R283-E295 PolarHBondContact NH2-OE2 3.28Å; V290-E295 PolarHBondContact O-N 3.42Å; S291-E295 WeakPolarHBondContact CA-OE1 3.49Å; S291-E295 VanDerWaalsContact CB-OE1 3.26Å; S291-E295 WeakPolarHBondContact CB-OE1 3.4Å; S291-E295 PolarHBondContact OG-OE1 3.3Å; E295-L297 VanDerWaalsContact C-N 3.29Å; E295-L297 PolarHBondContact O-N 3.19Å; E295-C298 PolarHBondContact O-N 3.03Å; E295-E299 PolarHBondContact O-N 2.91Å; E295-F368 HydrophobicContact CB-CZ 3.93Å |
| 296 | P | 94.6 | Very high | 94.9 | Very high | 27 Ų | 27 | 41.7 Ų | 41.7 | 18% | 0.175 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.1 | -23.7 | -178.5 | 27.2 | -34.5 | 0 | 0 | 0 | 114 | V293 C298 T302 F368 | V293-P296 WeakPolarHBondContact O-CD 3.16Å; V293-P296 WeakPolarHBondContact O-CG 3.47Å; P296-C298 VanDerWaalsContact C-N 3.31Å; P296-T302 VanDerWaalsContact O-CB 3.24Å; P296-T302 WeakPolarHBondContact O-CB 3.14Å; P296-T302 WeakPolarHBondContact O-CG2 3.43Å; P296-T302 PolarHBondContact O-OG1 2.87Å; P296-F368 HydrophobicContact CB-CD1 4.36Å; P296-F368 HydrophobicContact CB-CD2 4.3Å; P296-F368 HydrophobicContact CB-CE1 4Å; P296-F368 HydrophobicContact CB-CE2 3.93Å; P296-F368 HydrophobicContact CB-CZ 3.8Å; P296-F368 HydrophobicContact CG-CE1 3.97Å; P296-F368 HydrophobicContact CG-CZ 4.07Å |
| 297 | L | 95.1 | Very high | 95.2 | Very high | 54 Ų | 54 | 41.1 Ų | 41.1 | 28% | 0.283 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -75.3 | -18.4 | 171.7 | -70.3 | 174.4 | 0 | 0 | 0 | 113 | V293 L294 E295 T302 L303 L306 | V293-L297 HydrophobicContact CG1-CD1 3.97Å; V293-L297 WeakPolarHBondContact O-CD1 3.32Å; V293-L297 WeakPolarHBondContact O-CG 3.42Å; V293-L297 PolarHBondContact O-N 3.04Å; L294-L297 PolarHBondContact O-N 3.2Å; E295-L297 VanDerWaalsContact C-N 3.29Å; E295-L297 PolarHBondContact O-N 3.19Å; L297-T302 HydrophobicContact CD2-CG2 4.18Å; L297-L303 WeakPolarHBondContact O-CB 3.27Å; L297-L306 HydrophobicContact CD2-CD1 3.82Å |
| 298 | C | 95.5 | Very high | 95.5 | Very high | 11 Ų | 11 | 37.9 Ų | 37.9 | 7% | 0.074 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -97.9 | -3.7 | -179.1 | -66.7 | 0 | 0 | 0 | 0 | 114.7 | Q26 R198 L294 E295 P296 | Q26-C298 HydrophobicContact CG-CB 4.36Å; Q26-C298 PolarHBondContact NE2-SG 2.81Å; R198-C298 PolarHBondContact NH2-O 3.4Å; L294-C298 WeakPolarHBondContact O-CB 3.4Å; L294-C298 PolarHBondContact O-N 3.37Å; L294-C298 VanDerWaalsContact O-N 3.11Å; L294-C298 PolarHBondContact O-SG 2.74Å; E295-C298 PolarHBondContact O-N 3.03Å; P296-C298 VanDerWaalsContact C-N 3.31Å |
| 299 | E | 95.7 | Very high | 95.8 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.009 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -65.5 | 147.7 | 170.3 | -60.3 | -58.7 | 151.4 | 0 | 0 | 110.8 | Y195 E295 I301 T302 L303 R360 V364 | Y195-E299 VanDerWaalsContact CE2-CD 3.46Å; Y195-E299 WeakPolarHBondContact CE2-OE1 3.44Å; Y195-E299 PolarHBondContact OH-OE1 3.27Å; E295-E299 PolarHBondContact O-N 2.91Å; E299-I301 PolarHBondContact O-N 3.47Å; E299-T302 PolarHBondContact O-N 2.89Å; E299-L303 VanDerWaalsContact O-CB 3.23Å; E299-L303 WeakPolarHBondContact O-CB 3.37Å; E299-L303 PolarHBondContact O-N 2.82Å; E299-R360 IonicContact OE2-NH1 3.8Å; E299-R360 PolarHBondContact OE2-NH1 3.36Å; E299-V364 HydrophobicContact CB-CG1 4.41Å; E299-V364 HydrophobicContact CG-CG1 3.8Å; E299-V364 HydrophobicContact CG-CG2 4.33Å |
| 300 | S | 96.6 | Very high | 96 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.007 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.1 | -44.4 | -169.9 | -170.9 | 0 | 0 | 0 | 0 | 111.7 | G304 H326 E361 | S300-G304 WeakPolarHBondContact O-CA 3.29Å; S300-G304 PolarHBondContact O-N 2.76Å; S300-H326 PolarHBondContact O-NE2 3.05Å; S300-H326 PolarHBondContact OG-NE2 3.08Å; S300-E361 VanDerWaalsContact CB-CD 3.43Å; S300-E361 WeakPolarHBondContact CB-OE1 3.48Å; S300-E361 WeakPolarHBondContact CB-OE2 3.25Å; S300-E361 PolarHBondContact N-OE2 2.79Å |
| 301 | I | 97.2 | Very high | 96.3 | Very high | 41 Ų | 41 | 31.3 Ų | 31.3 | 21% | 0.21 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.2 | -47.3 | -178.4 | -64 | 173.5 | 0 | 0 | 0 | 111 | E299 L305 F327 E361 L362 Y365 | E299-I301 PolarHBondContact O-N 3.47Å; I301-L305 HydrophobicContact CG2-CD1 4.11Å; I301-L305 VanDerWaalsContact O-CG 3.27Å; I301-L305 WeakPolarHBondContact O-CG 3.25Å; I301-L305 PolarHBondContact O-N 2.81Å; I301-F327 HydrophobicContact CB-CZ 4.49Å; I301-F327 HydrophobicContact CG1-CE1 3.96Å; I301-F327 HydrophobicContact CG1-CZ 4.02Å; I301-E361 HydrophobicContact CD1-CB 3.8Å; I301-E361 HydrophobicContact CG1-CB 4.22Å; I301-L362 HydrophobicContact CD1-CD2 4.1Å; I301-Y365 HydrophobicContact CB-CE2 4.23Å; I301-Y365 WeakPolarHBondContact CB-OH 3.25Å; I301-Y365 HydrophobicContact CD1-CE2 4.32Å; I301-Y365 HydrophobicContact CG2-CE2 4.47Å |
| 302 | T | 97.2 | Very high | 96.4 | Very high | 31 Ų | 31 | 34.5 Ų | 34.5 | 19% | 0.19 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.4 | -52.9 | 177.8 | -46.4 | 0 | 0 | 0 | 0 | 111 | P296 L297 E299 G304 L305 L306 Y365 | P296-T302 VanDerWaalsContact O-CB 3.24Å; P296-T302 WeakPolarHBondContact O-CB 3.14Å; P296-T302 WeakPolarHBondContact O-CG2 3.43Å; P296-T302 PolarHBondContact O-OG1 2.87Å; L297-T302 HydrophobicContact CD2-CG2 4.18Å; E299-T302 PolarHBondContact O-N 2.89Å; T302-G304 PolarHBondContact O-N 3.36Å; T302-L305 PolarHBondContact O-N 2.92Å; T302-L306 HydrophobicContact CG2-CD1 3.96Å; T302-L306 WeakPolarHBondContact O-CG 3.3Å; T302-L306 PolarHBondContact O-N 2.87Å; T302-Y365 PolarHBondContact N-OH 2.78Å; T302-Y365 VanDerWaalsContact N-OH 3.08Å; T302-Y365 PolarHBondContact OG1-OH 2.94Å |
| 303 | L | 97.7 | Very high | 96.5 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.4 | -39.3 | -173 | -176.4 | 55.7 | 0 | 0 | 0 | 111.9 | L22 Y23 Q26 L297 E299 F307 W330 | L22-L303 HydrophobicContact CB-CD1 4.31Å; Y23-L303 HydrophobicContact CD2-CD1 4.12Å; Y23-L303 HydrophobicContact CD2-CD2 4.33Å; Y23-L303 HydrophobicContact CD2-CG 3.88Å; Q26-L303 HydrophobicContact CB-CD2 3.97Å; Q26-L303 HydrophobicContact CG-CD2 3.63Å; L297-L303 WeakPolarHBondContact O-CB 3.27Å; E299-L303 VanDerWaalsContact O-CB 3.23Å; E299-L303 WeakPolarHBondContact O-CB 3.37Å; E299-L303 PolarHBondContact O-N 2.82Å; L303-F307 WeakPolarHBondContact O-CB 3.36Å; L303-F307 PolarHBondContact O-N 3.09Å; L303-W330 HydrophobicContact CD2-CZ2 3.89Å |
| 304 | G | 97.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.4 | -41.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S300 T302 A308 H326 | S300-G304 WeakPolarHBondContact O-CA 3.29Å; S300-G304 PolarHBondContact O-N 2.76Å; T302-G304 PolarHBondContact O-N 3.36Å; G304-A308 WeakPolarHBondContact O-CB 3.25Å; G304-A308 PolarHBondContact O-N 3.35Å; G304-H326 WeakPolarHBondContact CA-CD2 3.24Å; G304-H326 WeakPolarHBondContact CA-NE2 3.27Å |
| 305 | L | 97.8 | Very high | 96.8 | Very high | 80 Ų | 80 | 39.5 Ų | 39.5 | 42% | 0.419 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -67.3 | -47.2 | 175.9 | -69.6 | 172.8 | 0 | 0 | 0 | 111.6 | I301 T302 F307 A308 L309 I323 | I301-L305 HydrophobicContact CG2-CD1 4.11Å; I301-L305 VanDerWaalsContact O-CG 3.27Å; I301-L305 WeakPolarHBondContact O-CG 3.25Å; I301-L305 PolarHBondContact O-N 2.81Å; T302-L305 PolarHBondContact O-N 2.92Å; L305-F307 VanDerWaalsContact C-N 3.33Å; L305-F307 PolarHBondContact O-N 3.17Å; L305-A308 PolarHBondContact O-N 3.05Å; L305-L309 WeakPolarHBondContact O-CG 3.22Å; L305-L309 PolarHBondContact O-N 3.42Å; L305-I323 HydrophobicContact CD2-CD1 3.87Å |
| 306 | L | 97.7 | Very high | 96.9 | Very high | 58 Ų | 58 | 44.6 Ų | 44.6 | 30% | 0.304 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.3 | -42.1 | 177 | -69.5 | 175.8 | 0 | 0 | 0 | 111.6 | V19 L297 T302 T310 | V19-L306 HydrophobicContact CG1-CB 3.8Å; V19-L306 HydrophobicContact CG2-CB 4.14Å; V19-L306 HydrophobicContact CG2-CD1 4.49Å; L297-L306 HydrophobicContact CD2-CD1 3.82Å; T302-L306 HydrophobicContact CG2-CD1 3.96Å; T302-L306 WeakPolarHBondContact O-CG 3.3Å; T302-L306 PolarHBondContact O-N 2.87Å; L306-T310 VanDerWaalsContact O-CB 3.22Å; L306-T310 WeakPolarHBondContact O-CB 3.11Å; L306-T310 PolarHBondContact O-N 2.83Å; L306-T310 PolarHBondContact O-OG1 2.86Å |
| 307 | F | 98.3 | Very high | 97 | Very high | 19 Ų | 19 | 46.9 Ų | 46.9 | 8% | 0.083 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.3 | -46.8 | 175.5 | 172.7 | -100.7 | 0 | 0 | 0 | 112.2 | L20 Y23 L303 L305 L309 T310 V311 L322 | L20-F307 HydrophobicContact CD2-CD2 4.03Å; L20-F307 HydrophobicContact CD2-CE2 3.97Å; Y23-F307 AromaticContact CD1-CD2 3.78Å; Y23-F307 HydrophobicContact CD1-CD2 3.78Å; Y23-F307 AromaticContact CD1-CE2 3.71Å; Y23-F307 HydrophobicContact CD1-CE2 3.71Å; Y23-F307 HydrophobicContact CD1-CG 4.46Å; Y23-F307 HydrophobicContact CD1-CZ 4.34Å; Y23-F307 HydrophobicContact CD2-CB 3.5Å; Y23-F307 VanDerWaalsContact CD2-CB 3.5Å; Y23-F307 HydrophobicContact CD2-CD1 4.22Å; Y23-F307 AromaticContact CD2-CD2 3.41Å; Y23-F307 HydrophobicContact CD2-CD2 3.41Å; Y23-F307 VanDerWaalsContact CD2-CD2 3.41Å; Y23-F307 HydrophobicContact CD2-CE2 4.16Å; Y23-F307 AromaticContact CD2-CG 3.44Å; Y23-F307 HydrophobicContact CD2-CG 3.44Å; Y23-F307 VanDerWaalsContact CD2-CG 3.44Å; Y23-F307 HydrophobicContact CE1-CD1 4.49Å; Y23-F307 AromaticContact CE1-CD2 3.97Å; Y23-F307 HydrophobicContact CE1-CD2 3.97Å; Y23-F307 HydrophobicContact CE1-CE1 4.26Å; Y23-F307 AromaticContact CE1-CE2 3.71Å; Y23-F307 HydrophobicContact CE1-CE2 3.71Å; Y23-F307 HydrophobicContact CE1-CG 4.35Å; Y23-F307 AromaticContact CE1-CZ 3.87Å; Y23-F307 HydrophobicContact CE1-CZ 3.87Å; Y23-F307 HydrophobicContact CE2-CB 3.56Å; Y23-F307 AromaticContact CE2-CD1 3.59Å; Y23-F307 HydrophobicContact CE2-CD1 3.59Å; Y23-F307 AromaticContact CE2-CD2 3.6Å; Y23-F307 HydrophobicContact CE2-CD2 3.6Å; Y23-F307 HydrophobicContact CE2-CE1 4.14Å; Y23-F307 HydrophobicContact CE2-CE2 4.15Å; Y23-F307 AromaticContact CE2-CG 3.28Å; Y23-F307 HydrophobicContact CE2-CG 3.28Å; Y23-F307 HydrophobicContact CE2-CZ 4.39Å; Y23-F307 HydrophobicContact CG-CB 4.38Å; Y23-F307 AromaticContact CG-CD2 3.48Å; Y23-F307 HydrophobicContact CG-CD2 3.48Å; Y23-F307 VanDerWaalsContact CG-CD2 3.48Å; Y23-F307 AromaticContact CG-CE2 3.93Å; Y23-F307 HydrophobicContact CG-CE2 3.93Å; Y23-F307 HydrophobicContact CG-CG 4.03Å; Y23-F307 AromaticContact CZ-CD1 3.73Å; Y23-F307 AromaticContact CZ-CD2 3.87Å; Y23-F307 AromaticContact CZ-CE1 3.79Å; Y23-F307 AromaticContact CZ-CE2 3.92Å; Y23-F307 AromaticContact CZ-CG 3.77Å; Y23-F307 AromaticContact CZ-CZ 3.88Å; L303-F307 WeakPolarHBondContact O-CB 3.36Å; L303-F307 PolarHBondContact O-N 3.09Å; L305-F307 VanDerWaalsContact C-N 3.33Å; L305-F307 PolarHBondContact O-N 3.17Å; F307-L309 PolarHBondContact O-N 2.84Å; F307-T310 WeakPolarHBondContact O-CB 3.42Å; F307-T310 PolarHBondContact O-N 2.93Å; F307-V311 HydrophobicContact CD2-CG2 3.93Å; F307-V311 HydrophobicContact CE1-CG2 4.26Å; F307-V311 HydrophobicContact CE2-CG2 3.55Å; F307-V311 HydrophobicContact CG-CG2 4.44Å; F307-V311 HydrophobicContact CZ-CG2 3.73Å; F307-V311 WeakPolarHBondContact O-CG2 3.31Å; F307-V311 PolarHBondContact O-N 2.87Å; F307-L322 HydrophobicContact CE1-CD2 4.28Å |
| 308 | A | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.8 | -41.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G304 L305 H312 I319 L322 I323 | G304-A308 WeakPolarHBondContact O-CB 3.25Å; G304-A308 PolarHBondContact O-N 3.35Å; L305-A308 PolarHBondContact O-N 3.05Å; A308-H312 VanDerWaalsContact O-CB 3.26Å; A308-H312 WeakPolarHBondContact O-CB 3.31Å; A308-H312 PolarHBondContact O-N 3.29Å; A308-I319 HydrophobicContact CB-CG2 4.08Å; A308-L322 HydrophobicContact CB-CB 3.77Å; A308-L322 HydrophobicContact CB-CD1 4.49Å; A308-L322 WeakPolarHBondContact O-CD1 3.34Å; A308-I323 HydrophobicContact CB-CD1 4.43Å; A308-I323 HydrophobicContact CB-CG1 3.67Å |
| 309 | L | 97.8 | Very high | 97.2 | Very high | 98 Ų | 98 | 51.8 Ų | 51.8 | 51% | 0.513 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 172.9 | -69.7 | 169.4 | 0 | 0 | 0 | 111.9 | L305 F307 Y313 I319 | L305-L309 WeakPolarHBondContact O-CG 3.22Å; L305-L309 PolarHBondContact O-N 3.42Å; F307-L309 PolarHBondContact O-N 2.84Å; L309-Y313 WeakPolarHBondContact O-CB 3.36Å; L309-Y313 PolarHBondContact O-N 2.84Å; L309-I319 HydrophobicContact CD2-CD1 4.02Å |
| 310 | T | 97.5 | Very high | 97.3 | Very high | 9 Ų | 9 | 56.1 Ų | 56.1 | 6% | 0.055 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.6 | -48.7 | 179.7 | -66.7 | 0 | 0 | 0 | 0 | 112.4 | V19 L20 L306 F307 H312 Y313 L314 | V19-T310 WeakPolarHBondContact CG1-OG1 3.33Å; L20-T310 HydrophobicContact CD1-CG2 4.27Å; L20-T310 HydrophobicContact CD2-CG2 4.09Å; L20-T310 HydrophobicContact CG-CG2 3.8Å; L306-T310 VanDerWaalsContact O-CB 3.22Å; L306-T310 WeakPolarHBondContact O-CB 3.11Å; L306-T310 PolarHBondContact O-N 2.83Å; L306-T310 PolarHBondContact O-OG1 2.86Å; F307-T310 WeakPolarHBondContact O-CB 3.42Å; F307-T310 PolarHBondContact O-N 2.93Å; T310-H312 VanDerWaalsContact C-N 3.35Å; T310-Y313 PolarHBondContact O-N 3.35Å; T310-L314 HydrophobicContact CG2-CD1 3.93Å; T310-L314 WeakPolarHBondContact O-CG 3.48Å; T310-L314 PolarHBondContact O-N 2.88Å |
| 311 | V | 97.8 | Very high | 97.3 | Very high | 13 Ų | 13 | 63 Ų | 63 | 8% | 0.079 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -72 | -31.5 | -178.6 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | L20 F307 F315 I317 L322 | L20-V311 HydrophobicContact CD2-CG2 4Å; F307-V311 HydrophobicContact CD2-CG2 3.93Å; F307-V311 HydrophobicContact CE1-CG2 4.26Å; F307-V311 HydrophobicContact CE2-CG2 3.55Å; F307-V311 HydrophobicContact CG-CG2 4.44Å; F307-V311 HydrophobicContact CZ-CG2 3.73Å; F307-V311 WeakPolarHBondContact O-CG2 3.31Å; F307-V311 PolarHBondContact O-N 2.87Å; V311-F315 HydrophobicContact CG1-CD2 4.02Å; V311-F315 WeakPolarHBondContact O-CB 3.49Å; V311-F315 PolarHBondContact O-N 2.85Å; V311-I317 HydrophobicContact CG1-CB 4.39Å; V311-I317 HydrophobicContact CG1-CD1 3.96Å; V311-L322 HydrophobicContact CB-CD1 3.83Å; V311-L322 HydrophobicContact CB-CD2 4.17Å; V311-L322 HydrophobicContact CG1-CD1 3.8Å; V311-L322 HydrophobicContact CG1-CD2 3.64Å; V311-L322 HydrophobicContact CG1-CG 4.39Å |
| 312 | H | 97.1 | Very high | 97.4 | Very high | 66 Ų | 66 | 61.9 Ų | 61.9 | 31% | 0.306 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.4 | -48.4 | 168.6 | 179.7 | 53.1 | 0 | 0 | 0 | 111.7 | A308 T310 L314 D316 I317 I319 | A308-H312 VanDerWaalsContact O-CB 3.26Å; A308-H312 WeakPolarHBondContact O-CB 3.31Å; A308-H312 PolarHBondContact O-N 3.29Å; T310-H312 VanDerWaalsContact C-N 3.35Å; H312-L314 VanDerWaalsContact C-N 3.33Å; H312-L314 PolarHBondContact O-N 3.34Å; H312-D316 IonicContact CE1-OD1 3.17Å; H312-D316 PolarHBondContact CE1-OD1 3.29Å; H312-D316 VanDerWaalsContact CE1-OD1 3.24Å; H312-D316 IonicContact ND1-OD1 2.65Å; H312-D316 VanDerWaalsContact O-CA 3.23Å; H312-D316 WeakPolarHBondContact O-CA 3.25Å; H312-D316 PolarHBondContact O-N 2.88Å; H312-I317 WeakPolarHBondContact CA-O 3.42Å; H312-I317 WeakPolarHBondContact CB-O 3.28Å; H312-I317 PolarHBondContact ND1-O 3.24Å; H312-I319 HydrophobicContact CB-CD1 4.32Å; H312-I319 HydrophobicContact CB-CG1 3.64Å |
| 313 | Y | 95.9 | Very high | 97.4 | Very high | 112 Ų | 112 | 62.2 Ų | 62.2 | 44% | 0.439 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.6 | -40 | 178.2 | 173.3 | -108.1 | 0 | 0 | 0 | 113.3 | I12 L309 T310 | I12-Y313 HydrophobicContact CG2-CD1 3.99Å; I12-Y313 HydrophobicContact CG2-CD2 4.5Å; I12-Y313 HydrophobicContact CG2-CE1 3.64Å; I12-Y313 HydrophobicContact CG2-CE2 4.19Å; I12-Y313 HydrophobicContact CG2-CG 4.41Å; L309-Y313 WeakPolarHBondContact O-CB 3.36Å; L309-Y313 PolarHBondContact O-N 2.84Å; T310-Y313 PolarHBondContact O-N 3.35Å |
| 314 | L | 96.4 | Very high | 97.4 | Very high | 46 Ų | 46 | 67.7 Ų | 67.7 | 24% | 0.241 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -84.2 | -28 | -176 | -67.1 | 175.5 | 0 | 0 | 0 | 114.6 | F13 L20 T310 H312 | F13-L314 HydrophobicContact CD2-CD2 3.74Å; F13-L314 HydrophobicContact CE2-CD2 3.85Å; L20-L314 HydrophobicContact CD1-CD1 3.74Å; T310-L314 HydrophobicContact CG2-CD1 3.93Å; T310-L314 WeakPolarHBondContact O-CG 3.48Å; T310-L314 PolarHBondContact O-N 2.88Å; H312-L314 VanDerWaalsContact C-N 3.33Å; H312-L314 PolarHBondContact O-N 3.34Å |
| 315 | F | 96.8 | Very high | 97.5 | Very high | 135 Ų | 135 | 72.5 Ų | 72.5 | 59% | 0.592 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -136.5 | 4.8 | -168.1 | -54.6 | -76.1 | 0 | 0 | 0 | 114.9 | V311 I317 | V311-F315 HydrophobicContact CG1-CD2 4.02Å; V311-F315 WeakPolarHBondContact O-CB 3.49Å; V311-F315 PolarHBondContact O-N 2.85Å; F315-I317 HydrophobicContact CB-CD1 4.12Å; F315-I317 HydrophobicContact CB-CG1 4.04Å; F315-I317 PolarHBondContact O-N 2.59Å; F315-I317 VanDerWaalsContact O-N 3.12Å |
| 316 | D | 95.7 | Very high | 97.5 | Very high | 131 Ų | 131 | 68.7 Ų | 68.7 | 70% | 0.701 | 33% | 0.329 | S | S | * | . | trans | 53.5 | 27.1 | -177.7 | -159.6 | 25.4 | 0 | 0 | 0 | 115 | H312 | H312-D316 IonicContact CE1-OD1 3.17Å; H312-D316 PolarHBondContact CE1-OD1 3.29Å; H312-D316 VanDerWaalsContact CE1-OD1 3.24Å; H312-D316 IonicContact ND1-OD1 2.65Å; H312-D316 VanDerWaalsContact O-CA 3.23Å; H312-D316 WeakPolarHBondContact O-CA 3.25Å; H312-D316 PolarHBondContact O-N 2.88Å | ||
| 317 | I | 97.1 | Very high | 97.5 | Very high | 76 Ų | 76 | 68.2 Ų | 68.2 | 39% | 0.39 | 33% | 0.325 | S | S | . | . | trans | -78.1 | 135.4 | 175.7 | -59.4 | 176.5 | 0 | 0 | 0 | 109.2 | V311 H312 F315 I319 L322 | V311-I317 HydrophobicContact CG1-CB 4.39Å; V311-I317 HydrophobicContact CG1-CD1 3.96Å; H312-I317 WeakPolarHBondContact CA-O 3.42Å; H312-I317 WeakPolarHBondContact CB-O 3.28Å; H312-I317 PolarHBondContact ND1-O 3.24Å; F315-I317 HydrophobicContact CB-CD1 4.12Å; F315-I317 HydrophobicContact CB-CG1 4.04Å; F315-I317 PolarHBondContact O-N 2.59Å; F315-I317 VanDerWaalsContact O-N 3.12Å; I317-I319 PolarHBondContact O-N 3.37Å; I317-L322 HydrophobicContact CB-CD1 4.09Å; I317-L322 HydrophobicContact CB-CG 4.47Å; I317-L322 HydrophobicContact CG2-CD1 3.98Å; I317-L322 HydrophobicContact CG2-CD2 3.92Å; I317-L322 HydrophobicContact CG2-CG 3.84Å | ||
| 318 | Q | 97.4 | Very high | 97.5 | Very high | 111 Ų | 111 | 71.1 Ų | 71.1 | 52% | 0.519 | 34% | 0.344 | S | S | . | . | trans | -61.2 | 125.3 | -178.2 | -60.8 | -176.4 | 14.8 | 0 | 0 | 112.5 | I320 Y321 L322 | Q318-I320 HydrophobicContact CB-CG2 4.43Å; Q318-I320 PolarHBondContact O-N 3.18Å; Q318-I320 VanDerWaalsContact O-N 3.14Å; Q318-Y321 HydrophobicContact CB-CD2 3.81Å; Q318-Y321 HydrophobicContact CB-CE2 4.09Å; Q318-Y321 HydrophobicContact CG-CD2 4.42Å; Q318-Y321 HydrophobicContact CG-CE2 4.28Å; Q318-Y321 PolarHBondContact O-N 2.74Å; Q318-Y321 VanDerWaalsContact O-N 3.16Å; Q318-Y321 VanDerWaalsContact OE1-CE2 3.29Å; Q318-L322 PolarHBondContact O-N 2.89Å | ||
| 319 | I | 97.7 | Very high | 97.5 | Very high | 57 Ų | 57 | 73.8 Ų | 73.8 | 29% | 0.292 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -50.7 | -40.5 | -177.6 | -65.5 | 170.8 | 0 | 0 | 0 | 112.6 | A308 L309 H312 I317 Y321 L322 I323 | A308-I319 HydrophobicContact CB-CG2 4.08Å; L309-I319 HydrophobicContact CD2-CD1 4.02Å; H312-I319 HydrophobicContact CB-CD1 4.32Å; H312-I319 HydrophobicContact CB-CG1 3.64Å; I317-I319 PolarHBondContact O-N 3.37Å; I319-Y321 PolarHBondContact O-N 2.9Å; I319-L322 PolarHBondContact O-N 3.11Å; I319-I323 HydrophobicContact CG2-CD1 3.61Å; I319-I323 HydrophobicContact CG2-CG1 4.14Å; I319-I323 WeakPolarHBondContact O-CG1 3.13Å; I319-I323 PolarHBondContact O-N 3.33Å |
| 320 | I | 97.4 | Very high | 97.5 | Very high | 93 Ų | 93 | 69.2 Ų | 69.2 | 48% | 0.477 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.1 | -40.9 | -176.3 | -172 | 59.1 | 0 | 0 | 0 | 112.7 | Q318 I323 M324 | Q318-I320 HydrophobicContact CB-CG2 4.43Å; Q318-I320 PolarHBondContact O-N 3.18Å; Q318-I320 VanDerWaalsContact O-N 3.14Å; I320-I323 PolarHBondContact O-N 3.41Å; I320-M324 HydrophobicContact CG1-SD 4.35Å; I320-M324 WeakPolarHBondContact O-CG 3.34Å; I320-M324 PolarHBondContact O-N 3.19Å |
| 321 | Y | 97.8 | Very high | 97.5 | Very high | 146 Ų | 146 | 70 Ų | 70 | 57% | 0.573 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -68.7 | -37.4 | 178.3 | -58.9 | -40.9 | 0 | 0 | 0 | 111.5 | Q318 I319 M324 M325 | Q318-Y321 HydrophobicContact CB-CD2 3.81Å; Q318-Y321 HydrophobicContact CB-CE2 4.09Å; Q318-Y321 HydrophobicContact CG-CD2 4.42Å; Q318-Y321 HydrophobicContact CG-CE2 4.28Å; Q318-Y321 PolarHBondContact O-N 2.74Å; Q318-Y321 VanDerWaalsContact O-N 3.16Å; Q318-Y321 VanDerWaalsContact OE1-CE2 3.29Å; I319-Y321 PolarHBondContact O-N 2.9Å; Y321-M324 PolarHBondContact O-N 2.95Å; Y321-M325 WeakPolarHBondContact O-CB 3.25Å; Y321-M325 PolarHBondContact O-N 2.77Å |
| 322 | L | 98.1 | Very high | 97.5 | Very high | 16 Ų | 16 | 73.6 Ų | 73.6 | 8% | 0.084 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 176.3 | -64.2 | 165.8 | 0 | 0 | 0 | 111.7 | F307 A308 V311 I317 Q318 I319 M325 H326 | F307-L322 HydrophobicContact CE1-CD2 4.28Å; A308-L322 HydrophobicContact CB-CB 3.77Å; A308-L322 HydrophobicContact CB-CD1 4.49Å; A308-L322 WeakPolarHBondContact O-CD1 3.34Å; V311-L322 HydrophobicContact CB-CD1 3.83Å; V311-L322 HydrophobicContact CB-CD2 4.17Å; V311-L322 HydrophobicContact CG1-CD1 3.8Å; V311-L322 HydrophobicContact CG1-CD2 3.64Å; V311-L322 HydrophobicContact CG1-CG 4.39Å; I317-L322 HydrophobicContact CB-CD1 4.09Å; I317-L322 HydrophobicContact CB-CG 4.47Å; I317-L322 HydrophobicContact CG2-CD1 3.98Å; I317-L322 HydrophobicContact CG2-CD2 3.92Å; I317-L322 HydrophobicContact CG2-CG 3.84Å; Q318-L322 PolarHBondContact O-N 2.89Å; I319-L322 PolarHBondContact O-N 3.11Å; L322-M325 PolarHBondContact O-N 2.92Å; L322-H326 VanDerWaalsContact O-CB 3.32Å; L322-H326 WeakPolarHBondContact O-CB 3.48Å; L322-H326 PolarHBondContact O-N 2.65Å |
| 323 | I | 98 | Very high | 97.6 | Very high | 38 Ų | 38 | 72 Ų | 72 | 20% | 0.195 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.6 | -47.3 | 175.2 | -72 | 177.9 | 0 | 0 | 0 | 111.1 | L305 A308 I319 I320 M325 H326 F327 | L305-I323 HydrophobicContact CD2-CD1 3.87Å; A308-I323 HydrophobicContact CB-CD1 4.43Å; A308-I323 HydrophobicContact CB-CG1 3.67Å; I319-I323 HydrophobicContact CG2-CD1 3.61Å; I319-I323 HydrophobicContact CG2-CG1 4.14Å; I319-I323 WeakPolarHBondContact O-CG1 3.13Å; I319-I323 PolarHBondContact O-N 3.33Å; I320-I323 PolarHBondContact O-N 3.41Å; I323-M325 PolarHBondContact O-N 2.84Å; I323-H326 PolarHBondContact O-N 2.98Å; I323-F327 HydrophobicContact CG2-CD2 3.67Å; I323-F327 HydrophobicContact CG2-CE2 3.71Å; I323-F327 WeakPolarHBondContact O-CD2 3.41Å; I323-F327 PolarHBondContact O-N 2.82Å |
| 324 | M | 98 | Very high | 97.7 | Very high | 116 Ų | 116 | 66.8 Ų | 66.8 | 57% | 0.571 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -63 | -42.1 | 178.3 | -71.9 | -179.6 | 72.3 | 0 | 0 | 112.2 | I320 Y321 T328 | I320-M324 HydrophobicContact CG1-SD 4.35Å; I320-M324 WeakPolarHBondContact O-CG 3.34Å; I320-M324 PolarHBondContact O-N 3.19Å; Y321-M324 PolarHBondContact O-N 2.95Å; M324-T328 VanDerWaalsContact O-CB 3.24Å; M324-T328 WeakPolarHBondContact O-CB 3.42Å; M324-T328 PolarHBondContact O-N 3.34Å; M324-T328 VanDerWaalsContact O-N 3.08Å; M324-T328 PolarHBondContact O-OG1 2.91Å |
| 325 | M | 98 | Very high | 97.8 | Very high | 102 Ų | 102 | 66.8 Ų | 66.8 | 50% | 0.502 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.8 | -48.4 | 175.8 | 178.2 | -89.3 | -177 | 0 | 0 | 111.4 | Y321 L322 I323 L329 | Y321-M325 WeakPolarHBondContact O-CB 3.25Å; Y321-M325 PolarHBondContact O-N 2.77Å; L322-M325 PolarHBondContact O-N 2.92Å; I323-M325 PolarHBondContact O-N 2.84Å; M325-L329 HydrophobicContact CE-CD2 4.19Å; M325-L329 VanDerWaalsContact O-CB 3.3Å; M325-L329 WeakPolarHBondContact O-CB 3.37Å; M325-L329 PolarHBondContact O-N 3.49Å |
| 326 | H | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57 | -56.7 | 178 | 172.5 | 75.8 | 0 | 0 | 0 | 112 | Y23 S300 G304 L322 I323 T328 L329 W330 | Y23-H326 AromaticContact CE2-CE1 3.86Å; Y23-H326 AromaticContact CE2-ND1 3.27Å; Y23-H326 VanDerWaalsContact CE2-ND1 3.27Å; Y23-H326 WeakPolarHBondContact CE2-ND1 3.44Å; Y23-H326 AromaticContact CZ-ND1 3.59Å; Y23-H326 PolarHBondContact OH-ND1 2.8Å; Y23-H326 VanDerWaalsContact OH-ND1 3.1Å; S300-H326 PolarHBondContact O-NE2 3.05Å; S300-H326 PolarHBondContact OG-NE2 3.08Å; G304-H326 WeakPolarHBondContact CA-CD2 3.24Å; G304-H326 WeakPolarHBondContact CA-NE2 3.27Å; L322-H326 VanDerWaalsContact O-CB 3.32Å; L322-H326 WeakPolarHBondContact O-CB 3.48Å; L322-H326 PolarHBondContact O-N 2.65Å; I323-H326 PolarHBondContact O-N 2.98Å; H326-T328 VanDerWaalsContact C-N 3.35Å; H326-T328 PolarHBondContact O-N 2.94Å; H326-L329 PolarHBondContact O-N 2.89Å; H326-W330 AromaticContact CE1-CD2 3.25Å; H326-W330 AromaticContact CE1-CE2 3.37Å; H326-W330 AromaticContact CE1-CE3 3.38Å; H326-W330 AromaticContact CE1-CG 3.86Å; H326-W330 AromaticContact CE1-CH2 3.77Å; H326-W330 AromaticContact CE1-CZ2 3.64Å; H326-W330 AromaticContact CE1-CZ3 3.63Å; H326-W330 AromaticContact CE1-NE1 3.93Å; H326-W330 AromaticContact ND1-CD2 3.77Å; H326-W330 AromaticContact ND1-CE3 3.37Å; H326-W330 AromaticContact ND1-CH2 3.88Å; H326-W330 AromaticContact ND1-CZ3 3.43Å; H326-W330 WeakPolarHBondContact ND1-CZ3 3.5Å; H326-W330 AromaticContact NE2-CD2 3.86Å; H326-W330 AromaticContact NE2-CG 3.98Å; H326-W330 PolarHBondContact O-N 3.28Å |
| 327 | F | 98.2 | Very high | 97.9 | Very high | 49 Ų | 49 | 56.2 Ų | 56.2 | 22% | 0.215 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.4 | -39 | -175.7 | -77.4 | -56.4 | 0 | 0 | 0 | 112 | I301 I323 L329 W330 I331 W357 | I301-F327 HydrophobicContact CB-CZ 4.49Å; I301-F327 HydrophobicContact CG1-CE1 3.96Å; I301-F327 HydrophobicContact CG1-CZ 4.02Å; I323-F327 HydrophobicContact CG2-CD2 3.67Å; I323-F327 HydrophobicContact CG2-CE2 3.71Å; I323-F327 WeakPolarHBondContact O-CD2 3.41Å; I323-F327 PolarHBondContact O-N 2.82Å; F327-L329 VanDerWaalsContact C-N 3.34Å; F327-L329 PolarHBondContact O-N 3.32Å; F327-W330 PolarHBondContact O-N 2.85Å; F327-I331 HydrophobicContact CB-CD1 4.42Å; F327-I331 VanDerWaalsContact O-CB 3.27Å; F327-I331 WeakPolarHBondContact O-CB 3.37Å; F327-I331 WeakPolarHBondContact O-CD1 3.29Å; F327-I331 WeakPolarHBondContact O-CG1 3.45Å; F327-I331 PolarHBondContact O-N 3.32Å; F327-W357 AromaticContact CD1-CH2 3.92Å; F327-W357 HydrophobicContact CD1-CH2 3.92Å; F327-W357 HydrophobicContact CD1-CZ3 4.3Å; F327-W357 HydrophobicContact CE1-CH2 4.26Å |
| 328 | T | 98.2 | Very high | 97.9 | Very high | 80 Ų | 80 | 52.6 Ų | 52.6 | 49% | 0.491 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60 | -46 | 174.8 | -58.6 | 0 | 0 | 0 | 0 | 110.8 | M324 H326 L332 | M324-T328 VanDerWaalsContact O-CB 3.24Å; M324-T328 WeakPolarHBondContact O-CB 3.42Å; M324-T328 PolarHBondContact O-N 3.34Å; M324-T328 VanDerWaalsContact O-N 3.08Å; M324-T328 PolarHBondContact O-OG1 2.91Å; H326-T328 VanDerWaalsContact C-N 3.35Å; H326-T328 PolarHBondContact O-N 2.94Å; T328-L332 HydrophobicContact CG2-CD1 3.89Å; T328-L332 WeakPolarHBondContact O-CB 3.46Å; T328-L332 WeakPolarHBondContact O-CG 3.39Å; T328-L332 PolarHBondContact O-N 3.04Å; T328-L332 VanDerWaalsContact O-N 3.09Å |
| 329 | L | 98.2 | Very high | 97.9 | Very high | 56 Ų | 56 | 51.8 Ų | 51.8 | 29% | 0.293 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63 | -49.6 | 178.1 | -179.1 | 60.5 | 0 | 0 | 0 | 111.8 | I27 M325 H326 F327 L332 L333 | I27-L329 HydrophobicContact CD1-CD2 3.95Å; M325-L329 HydrophobicContact CE-CD2 4.19Å; M325-L329 VanDerWaalsContact O-CB 3.3Å; M325-L329 WeakPolarHBondContact O-CB 3.37Å; M325-L329 PolarHBondContact O-N 3.49Å; H326-L329 PolarHBondContact O-N 2.89Å; F327-L329 VanDerWaalsContact C-N 3.34Å; F327-L329 PolarHBondContact O-N 3.32Å; L329-L332 PolarHBondContact O-N 3.01Å; L329-L333 HydrophobicContact CD1-CD1 3.73Å; L329-L333 HydrophobicContact CD1-CG 3.97Å; L329-L333 HydrophobicContact CG-CD1 3.77Å; L329-L333 HydrophobicContact CG-CG 4.38Å; L329-L333 WeakPolarHBondContact O-CB 3.47Å; L329-L333 VanDerWaalsContact O-CG 3.24Å; L329-L333 WeakPolarHBondContact O-CG 3.28Å; L329-L333 PolarHBondContact O-N 3.36Å |
| 330 | W | 98.2 | Very high | 97.9 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.4 | -47.5 | -179.9 | -103.3 | -118.6 | 0 | 0 | 0 | 112.2 | Y23 Q26 I27 F30 L303 H326 F327 L332 L333 D334 W357 | Y23-W330 HydrophobicContact CD1-CH2 4.29Å; Y23-W330 HydrophobicContact CD2-CH2 4.01Å; Y23-W330 AromaticContact CE1-CH2 3.89Å; Y23-W330 HydrophobicContact CE1-CH2 3.89Å; Y23-W330 AromaticContact CE1-CZ3 3.94Å; Y23-W330 HydrophobicContact CE1-CZ3 3.94Å; Y23-W330 AromaticContact CE2-CH2 3.59Å; Y23-W330 HydrophobicContact CE2-CH2 3.59Å; Y23-W330 HydrophobicContact CE2-CZ2 4.42Å; Y23-W330 AromaticContact CE2-CZ3 3.86Å; Y23-W330 HydrophobicContact CE2-CZ3 3.86Å; Y23-W330 HydrophobicContact CG-CH2 4.36Å; Y23-W330 AromaticContact CZ-CH2 3.53Å; Y23-W330 AromaticContact CZ-CZ3 3.43Å; Y23-W330 VanDerWaalsContact CZ-CZ3 3.43Å; Y23-W330 VanDerWaalsContact OH-CZ3 3.3Å; Y23-W330 WeakPolarHBondContact OH-CZ3 3.38Å; Q26-W330 HydrophobicContact CB-CZ2 4.04Å; I27-W330 HydrophobicContact CD1-CH2 3.68Å; I27-W330 HydrophobicContact CD1-CZ3 3.59Å; I27-W330 HydrophobicContact CG1-CH2 4.22Å; F30-W330 AromaticContact CE2-CD1 3.98Å; F30-W330 AromaticContact CE2-CD2 3.95Å; F30-W330 HydrophobicContact CE2-CD2 3.95Å; F30-W330 AromaticContact CE2-CE2 3.75Å; F30-W330 HydrophobicContact CE2-CG 4.11Å; F30-W330 HydrophobicContact CE2-CZ2 4.25Å; F30-W330 AromaticContact CE2-NE1 3.8Å; F30-W330 HydrophobicContact CZ-CG 4.31Å; L303-W330 HydrophobicContact CD2-CZ2 3.89Å; H326-W330 AromaticContact CE1-CD2 3.25Å; H326-W330 AromaticContact CE1-CE2 3.37Å; H326-W330 AromaticContact CE1-CE3 3.38Å; H326-W330 AromaticContact CE1-CG 3.86Å; H326-W330 AromaticContact CE1-CH2 3.77Å; H326-W330 AromaticContact CE1-CZ2 3.64Å; H326-W330 AromaticContact CE1-CZ3 3.63Å; H326-W330 AromaticContact CE1-NE1 3.93Å; H326-W330 AromaticContact ND1-CD2 3.77Å; H326-W330 AromaticContact ND1-CE3 3.37Å; H326-W330 AromaticContact ND1-CH2 3.88Å; H326-W330 AromaticContact ND1-CZ3 3.43Å; H326-W330 WeakPolarHBondContact ND1-CZ3 3.5Å; H326-W330 AromaticContact NE2-CD2 3.86Å; H326-W330 AromaticContact NE2-CG 3.98Å; H326-W330 PolarHBondContact O-N 3.28Å; F327-W330 PolarHBondContact O-N 2.85Å; W330-L332 VanDerWaalsContact C-N 3.33Å; W330-L332 PolarHBondContact O-N 2.86Å; W330-L333 PolarHBondContact O-N 3.45Å; W330-D334 WeakPolarHBondContact O-CB 3.03Å; W330-D334 PolarHBondContact O-N 3.11Å; W330-W357 HydrophobicContact CB-CZ2 4.25Å |
| 331 | I | 98.3 | Very high | 97.9 | Very high | 26 Ų | 26 | 45.5 Ų | 45.5 | 13% | 0.133 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60 | -42.9 | 178.8 | -69.8 | 164.8 | 0 | 0 | 0 | 110.9 | F327 Y335 F350 F353 L354 W357 | F327-I331 HydrophobicContact CB-CD1 4.42Å; F327-I331 VanDerWaalsContact O-CB 3.27Å; F327-I331 WeakPolarHBondContact O-CB 3.37Å; F327-I331 WeakPolarHBondContact O-CD1 3.29Å; F327-I331 WeakPolarHBondContact O-CG1 3.45Å; F327-I331 PolarHBondContact O-N 3.32Å; I331-Y335 WeakPolarHBondContact O-CB 3.38Å; I331-Y335 PolarHBondContact O-N 3.27Å; I331-F350 HydrophobicContact CG2-CZ 4.04Å; I331-F353 HydrophobicContact CG2-CE1 4.1Å; I331-L354 HydrophobicContact CD1-CD1 3.72Å; I331-L354 HydrophobicContact CG1-CD1 4.33Å; I331-L354 HydrophobicContact CG2-CD1 4.15Å; I331-W357 HydrophobicContact CD1-CE3 4.27Å; I331-W357 HydrophobicContact CD1-CZ3 4.09Å; I331-W357 HydrophobicContact CG1-CD2 4.04Å; I331-W357 HydrophobicContact CG1-CE3 3.85Å; I331-W357 HydrophobicContact CG1-CH2 3.98Å; I331-W357 HydrophobicContact CG1-CZ2 4.13Å; I331-W357 HydrophobicContact CG1-CZ3 3.82Å |
| 332 | L | 97.9 | Very high | 97.8 | Very high | 89 Ų | 89 | 39.3 Ų | 39.3 | 47% | 0.466 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -69.3 | -40.9 | 178.6 | -70.9 | 173.7 | 0 | 0 | 0 | 112.6 | T328 L329 W330 T336 | T328-L332 HydrophobicContact CG2-CD1 3.89Å; T328-L332 WeakPolarHBondContact O-CB 3.46Å; T328-L332 WeakPolarHBondContact O-CG 3.39Å; T328-L332 PolarHBondContact O-N 3.04Å; T328-L332 VanDerWaalsContact O-N 3.09Å; L329-L332 PolarHBondContact O-N 3.01Å; W330-L332 VanDerWaalsContact C-N 3.33Å; W330-L332 PolarHBondContact O-N 2.86Å; L332-T336 VanDerWaalsContact O-CB 3.29Å; L332-T336 WeakPolarHBondContact O-CB 3.3Å; L332-T336 PolarHBondContact O-N 2.83Å; L332-T336 PolarHBondContact O-OG1 3.2Å |
| 333 | L | 98.3 | Very high | 97.5 | Very high | 32 Ų | 32 | 43.4 Ų | 43.4 | 17% | 0.168 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67 | -46.9 | 177.4 | -70.1 | 172.9 | 0 | 0 | 0 | 111.4 | I27 F30 L34 L329 W330 T336 L337 | I27-L333 HydrophobicContact CD1-CD1 4.4Å; F30-L333 HydrophobicContact CB-CD1 4.14Å; F30-L333 HydrophobicContact CD1-CB 3.62Å; F30-L333 HydrophobicContact CD1-CD1 4.29Å; F30-L333 HydrophobicContact CD1-CG 4.47Å; F30-L333 HydrophobicContact CD2-CB 4.35Å; F30-L333 HydrophobicContact CD2-CD1 3.66Å; F30-L333 HydrophobicContact CE1-CB 3.55Å; F30-L333 HydrophobicContact CE2-CB 4.28Å; F30-L333 HydrophobicContact CE2-CD1 4Å; F30-L333 HydrophobicContact CG-CB 4.03Å; F30-L333 HydrophobicContact CG-CD1 3.8Å; F30-L333 HydrophobicContact CG-CG 4.44Å; F30-L333 HydrophobicContact CZ-CB 3.9Å; F30-L333 HydrophobicContact CZ-CD1 4.47Å; L34-L333 HydrophobicContact CD1-CD2 3.78Å; L329-L333 HydrophobicContact CD1-CD1 3.73Å; L329-L333 HydrophobicContact CD1-CG 3.97Å; L329-L333 HydrophobicContact CG-CD1 3.77Å; L329-L333 HydrophobicContact CG-CG 4.38Å; L329-L333 WeakPolarHBondContact O-CB 3.47Å; L329-L333 VanDerWaalsContact O-CG 3.24Å; L329-L333 WeakPolarHBondContact O-CG 3.28Å; L329-L333 PolarHBondContact O-N 3.36Å; W330-L333 PolarHBondContact O-N 3.45Å; L333-T336 PolarHBondContact O-N 2.86Å; L333-L337 WeakPolarHBondContact O-CB 3.25Å; L333-L337 PolarHBondContact O-N 2.65Å |
| 334 | D | 98.1 | Very high | 97.2 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.011 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.1 | -41 | 176.8 | -94.4 | -19.5 | 0 | 0 | 0 | 112.3 | F30 C194 W330 T336 L337 L338 W357 R360 | F30-D334 VanDerWaalsContact CE1-OD1 3.3Å; F30-D334 WeakPolarHBondContact CE1-OD1 3.35Å; C194-D334 HydrophobicContact CB-CB 3.92Å; C194-D334 VanDerWaalsContact CB-CG 3.43Å; C194-D334 VanDerWaalsContact CB-OD1 3.31Å; C194-D334 WeakPolarHBondContact CB-OD1 3.27Å; C194-D334 PolarHBondContact SG-O 2.77Å; W330-D334 WeakPolarHBondContact O-CB 3.03Å; W330-D334 PolarHBondContact O-N 3.11Å; D334-T336 VanDerWaalsContact C-N 3.33Å; D334-L337 PolarHBondContact O-N 3.48Å; D334-L338 VanDerWaalsContact O-CB 3.26Å; D334-L338 WeakPolarHBondContact O-CB 3.42Å; D334-L338 PolarHBondContact O-N 2.93Å; D334-W357 PolarHBondContact OD2-NE1 2.81Å; D334-R360 IonicContact OD2-NH2 3.38Å |
| 335 | Y | 97.8 | Very high | 97 | Very high | 47 Ų | 47 | 47.4 Ų | 47.4 | 18% | 0.184 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.7 | -43.9 | 173.8 | -176.2 | -105.1 | 0 | 0 | 0 | 111.2 | I331 R339 L346 F350 F353 | I331-Y335 WeakPolarHBondContact O-CB 3.38Å; I331-Y335 PolarHBondContact O-N 3.27Å; Y335-R339 HydrophobicContact CD1-CG 4.23Å; Y335-R339 HydrophobicContact CE1-CG 3.82Å; Y335-R339 HydrophobicContact CE2-CG 4.31Å; Y335-R339 WeakPolarHBondContact O-CB 3.21Å; Y335-R339 WeakPolarHBondContact O-CG 3.27Å; Y335-R339 PolarHBondContact O-N 3.39Å; Y335-R339 PolarHBondContact OH-NH1 2.98Å; Y335-L346 HydrophobicContact CD2-CD1 4.33Å; Y335-L346 HydrophobicContact CE2-CD1 3.69Å; Y335-F350 HydrophobicContact CD1-CD2 4.38Å; Y335-F350 HydrophobicContact CD1-CE2 4.32Å; Y335-F350 AromaticContact CD2-CD2 3.83Å; Y335-F350 HydrophobicContact CD2-CD2 3.83Å; Y335-F350 HydrophobicContact CD2-CE2 4.01Å; Y335-F350 HydrophobicContact CE1-CD2 4.34Å; Y335-F350 AromaticContact CE2-CD2 3.77Å; Y335-F350 HydrophobicContact CE2-CD2 3.77Å; Y335-F350 HydrophobicContact CE2-CE2 4.4Å; Y335-F350 HydrophobicContact CG-CD2 4.14Å; Y335-F350 AromaticContact CG-CE2 3.96Å; Y335-F350 HydrophobicContact CG-CE2 3.96Å; Y335-F353 HydrophobicContact CD2-CB 4.42Å; Y335-F353 AromaticContact CD2-CD1 3.54Å; Y335-F353 HydrophobicContact CD2-CD1 3.54Å; Y335-F353 AromaticContact CD2-CD2 3.96Å; Y335-F353 HydrophobicContact CD2-CD2 3.96Å; Y335-F353 AromaticContact CD2-CE1 3.71Å; Y335-F353 HydrophobicContact CD2-CE1 3.71Å; Y335-F353 HydrophobicContact CD2-CE2 4.1Å; Y335-F353 AromaticContact CD2-CG 3.69Å; Y335-F353 HydrophobicContact CD2-CG 3.69Å; Y335-F353 AromaticContact CD2-CZ 3.99Å; Y335-F353 HydrophobicContact CD2-CZ 3.99Å; Y335-F353 HydrophobicContact CE2-CB 4.46Å; Y335-F353 HydrophobicContact CE2-CD1 4.31Å; Y335-F353 HydrophobicContact CE2-CG 4.2Å; Y335-F353 HydrophobicContact CG-CD1 4.33Å; Y335-F353 HydrophobicContact CG-CE1 4.1Å; Y335-F353 HydrophobicContact CG-CZ 4.36Å |
| 336 | T | 97.3 | Very high | 96.8 | Very high | 43 Ų | 43 | 43.5 Ų | 43.5 | 26% | 0.264 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.7 | -43.1 | 179.4 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | L34 L332 L333 D334 R339 C340 | L34-T336 HydrophobicContact CD2-CG2 3.79Å; L332-T336 VanDerWaalsContact O-CB 3.29Å; L332-T336 WeakPolarHBondContact O-CB 3.3Å; L332-T336 PolarHBondContact O-N 2.83Å; L332-T336 PolarHBondContact O-OG1 3.2Å; L333-T336 PolarHBondContact O-N 2.86Å; D334-T336 VanDerWaalsContact C-N 3.33Å; T336-R339 PolarHBondContact O-N 3.12Å; T336-C340 PolarHBondContact O-N 3.08Å; T336-C340 PolarHBondContact O-SG 3.03Å |
| 337 | L | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.7 | -49 | 177.8 | -178.6 | 60.4 | 0 | 0 | 0 | 111.1 | L34 A37 R198 L333 D334 R339 C340 I341 | L34-L337 HydrophobicContact CD2-CB 3.87Å; L34-L337 HydrophobicContact CD2-CD1 4.18Å; L34-L337 HydrophobicContact CG-CD1 4.43Å; A37-L337 HydrophobicContact CB-CD1 3.97Å; R198-L337 HydrophobicContact CB-CD2 3.74Å; R198-L337 HydrophobicContact CG-CD2 4.46Å; L333-L337 WeakPolarHBondContact O-CB 3.25Å; L333-L337 PolarHBondContact O-N 2.65Å; D334-L337 PolarHBondContact O-N 3.48Å; L337-R339 VanDerWaalsContact C-N 3.27Å; L337-R339 PolarHBondContact O-N 3.01Å; L337-C340 PolarHBondContact O-N 3.42Å; L337-C340 VanDerWaalsContact O-N 3.09Å; L337-I341 HydrophobicContact CD1-CD1 3.82Å; L337-I341 HydrophobicContact CD1-CG1 4.26Å; L337-I341 HydrophobicContact CG-CD1 3.81Å; L337-I341 WeakPolarHBondContact O-CG1 3.22Å; L337-I341 PolarHBondContact O-N 2.95Å |
| 338 | L | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.9 | -41.2 | 175.1 | 170.8 | 61.2 | 0 | 0 | 0 | 111.6 | F176 K189 V190 D334 Q342 L346 F348 F353 | F176-L338 HydrophobicContact CE2-CD1 3.88Å; F176-L338 HydrophobicContact CZ-CD1 3.91Å; K189-L338 HydrophobicContact CD-CD1 4.47Å; K189-L338 HydrophobicContact CG-CD1 3.96Å; V190-L338 HydrophobicContact CG2-CD2 4.14Å; D334-L338 VanDerWaalsContact O-CB 3.26Å; D334-L338 WeakPolarHBondContact O-CB 3.42Å; D334-L338 PolarHBondContact O-N 2.93Å; L338-Q342 WeakPolarHBondContact O-CB 3.24Å; L338-Q342 PolarHBondContact O-N 3.18Å; L338-L346 HydrophobicContact CD1-CD2 4.03Å; L338-L346 HydrophobicContact CD2-CD1 3.82Å; L338-L346 HydrophobicContact CD2-CD2 4.02Å; L338-L346 HydrophobicContact CG-CD1 4.07Å; L338-L346 HydrophobicContact CG-CD2 3.82Å; L338-F348 HydrophobicContact CD2-CE2 4.48Å; L338-F348 HydrophobicContact CD2-CZ 4.36Å; L338-F353 HydrophobicContact CD2-CD2 3.72Å; L338-F353 HydrophobicContact CD2-CE2 3.69Å |
| 339 | R | 96.7 | Very high | 96.2 | Very high | 95 Ų | 95 | 44.8 Ų | 44.8 | 36% | 0.358 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.3 | -36.5 | 176.1 | -74.3 | -67.6 | -62.4 | -76.2 | -6.9 | 113.3 | Y335 T336 L337 N343 S344 L346 | Y335-R339 HydrophobicContact CD1-CG 4.23Å; Y335-R339 HydrophobicContact CE1-CG 3.82Å; Y335-R339 HydrophobicContact CE2-CG 4.31Å; Y335-R339 WeakPolarHBondContact O-CB 3.21Å; Y335-R339 WeakPolarHBondContact O-CG 3.27Å; Y335-R339 PolarHBondContact O-N 3.39Å; Y335-R339 PolarHBondContact OH-NH1 2.98Å; T336-R339 PolarHBondContact O-N 3.12Å; L337-R339 VanDerWaalsContact C-N 3.27Å; L337-R339 PolarHBondContact O-N 3.01Å; R339-N343 PolarHBondContact O-N 2.73Å; R339-S344 PolarHBondContact NE-O 2.87Å; R339-L346 HydrophobicContact CG-CD1 4.08Å |
| 340 | C | 96.6 | Very high | 96.2 | Very high | 17 Ų | 17 | 46.4 Ų | 46.4 | 12% | 0.115 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.9 | -45.5 | 176.1 | -66.6 | 0 | 0 | 0 | 0 | 111.5 | A37 R38 T336 L337 N343 | A37-C340 HydrophobicContact CB-CB 3.72Å; R38-C340 HydrophobicContact CG-CB 4.22Å; R38-C340 VanDerWaalsContact CG-SG 3.53Å; T336-C340 PolarHBondContact O-N 3.08Å; T336-C340 PolarHBondContact O-SG 3.03Å; L337-C340 PolarHBondContact O-N 3.42Å; L337-C340 VanDerWaalsContact O-N 3.09Å; C340-N343 PolarHBondContact O-N 2.97Å |
| 341 | I | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.8 | -37.4 | 179.5 | -61.6 | 165.7 | 0 | 0 | 0 | 111.9 | A37 F41 Y42 L174 F176 A197 P259 L337 N343 | A37-I341 HydrophobicContact CB-CG1 3.7Å; F41-I341 HydrophobicContact CD2-CG1 4.46Å; F41-I341 HydrophobicContact CE2-CG1 4.21Å; F41-I341 HydrophobicContact CE2-CG2 4.43Å; Y42-I341 WeakPolarHBondContact CE2-O 3.17Å; Y42-I341 PolarHBondContact OH-O 3.03Å; L174-I341 HydrophobicContact CD2-CD1 4.05Å; L174-I341 HydrophobicContact CD2-CG1 4.45Å; L174-I341 HydrophobicContact CD2-CG2 4.02Å; F176-I341 HydrophobicContact CD2-CG2 3.73Å; F176-I341 HydrophobicContact CE1-CG2 4.49Å; F176-I341 HydrophobicContact CE2-CB 4.33Å; F176-I341 HydrophobicContact CE2-CG2 3.69Å; F176-I341 HydrophobicContact CG-CG2 4.17Å; F176-I341 HydrophobicContact CZ-CG2 4.09Å; A197-I341 HydrophobicContact CB-CD1 3.34Å; P259-I341 HydrophobicContact CG-CG2 4.36Å; L337-I341 HydrophobicContact CD1-CD1 3.82Å; L337-I341 HydrophobicContact CD1-CG1 4.26Å; L337-I341 HydrophobicContact CG-CD1 3.81Å; L337-I341 WeakPolarHBondContact O-CG1 3.22Å; L337-I341 PolarHBondContact O-N 2.95Å; I341-N343 PolarHBondContact O-N 3.35Å |
| 342 | Q | 95.7 | Very high | 96.1 | Very high | 17 Ų | 17 | 51.4 Ų | 51.4 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.4 | -28.9 | 174 | 177.9 | 75.8 | 13.7 | 0 | 0 | 112.3 | F176 D179 L338 S344 L346 | F176-Q342 VanDerWaalsContact CE1-OE1 3.3Å; F176-Q342 HydrophobicContact CZ-CB 4.2Å; D179-Q342 PolarHBondContact OD1-NE2 2.95Å; D179-Q342 PolarHBondContact OD2-NE2 3.42Å; D179-Q342 VanDerWaalsContact OD2-NE2 3.08Å; L338-Q342 WeakPolarHBondContact O-CB 3.24Å; L338-Q342 PolarHBondContact O-N 3.18Å; Q342-S344 WeakPolarHBondContact CG-OG 3.43Å; Q342-S344 PolarHBondContact NE2-OG 2.97Å; Q342-S344 PolarHBondContact O-N 3.48Å; Q342-S344 PolarHBondContact O-OG 2.81Å; Q342-L346 HydrophobicContact CB-CD2 4.12Å; Q342-L346 HydrophobicContact CG-CD2 3.85Å |
| 343 | N | 93.2 | Very high | 96.1 | Very high | 102 Ų | 102 | 47.1 Ų | 47.1 | 55% | 0.545 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 27.4 | -173.7 | -163.8 | 23.6 | 0 | 0 | 0 | 114.6 | Y42 R339 C340 I341 | Y42-N343 WeakPolarHBondContact CB-ND2 3.38Å; Y42-N343 HydrophobicContact CD2-CB 3.57Å; Y42-N343 WeakPolarHBondContact CD2-ND2 3.13Å; Y42-N343 HydrophobicContact CE2-CB 3.52Å; Y42-N343 HydrophobicContact CG-CB 4.18Å; Y42-N343 VanDerWaalsContact CG-ND2 3.27Å; R339-N343 PolarHBondContact O-N 2.73Å; C340-N343 PolarHBondContact O-N 2.97Å; I341-N343 PolarHBondContact O-N 3.35Å |
| 344 | S | 92.4 | Very high | 96.1 | Very high | 59 Ų | 59 | 48.2 Ų | 48.2 | 41% | 0.413 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -158.3 | -171.9 | 179.5 | 71.9 | 0 | 0 | 0 | 0 | 111.2 | R339 Q342 | R339-S344 PolarHBondContact NE-O 2.87Å; Q342-S344 WeakPolarHBondContact CG-OG 3.43Å; Q342-S344 PolarHBondContact NE2-OG 2.97Å; Q342-S344 PolarHBondContact O-N 3.48Å; Q342-S344 PolarHBondContact O-OG 2.81Å |
| 345 | K | 91.9 | Very high | 96.1 | Very high | 178 Ų | 178 | 52.9 Ų | 52.9 | 77% | 0.774 | 28% | 0.28 | S | S | * | . | trans | -73.9 | 140 | 170.4 | -67.2 | -179.6 | -178.7 | 176.5 | 0 | 108.6 | ||||
| 346 | L | 94.4 | Very high | 96.1 | Very high | 20 Ų | 20 | 50.6 Ų | 50.6 | 11% | 0.105 | 27% | 0.272 | C | S | . | . | trans | -71.1 | 147.3 | 175.3 | -72 | 165.7 | 0 | 0 | 0 | 110.7 | K189 Y335 L338 R339 Q342 F348 | K189-L346 HydrophobicContact CD-CD2 4.12Å; Y335-L346 HydrophobicContact CD2-CD1 4.33Å; Y335-L346 HydrophobicContact CE2-CD1 3.69Å; L338-L346 HydrophobicContact CD1-CD2 4.03Å; L338-L346 HydrophobicContact CD2-CD1 3.82Å; L338-L346 HydrophobicContact CD2-CD2 4.02Å; L338-L346 HydrophobicContact CG-CD1 4.07Å; L338-L346 HydrophobicContact CG-CD2 3.82Å; R339-L346 HydrophobicContact CG-CD1 4.08Å; Q342-L346 HydrophobicContact CB-CD2 4.12Å; Q342-L346 HydrophobicContact CG-CD2 3.85Å; L346-F348 HydrophobicContact CB-CD2 4.27Å; L346-F348 HydrophobicContact CB-CE2 4.21Å; L346-F348 HydrophobicContact CD1-CE2 3.99Å; L346-F348 HydrophobicContact CD2-CE2 4.44Å; L346-F348 HydrophobicContact CD2-CZ 4.26Å; L346-F348 HydrophobicContact CG-CE2 4.44Å; L346-F348 PolarHBondContact O-N 3.31Å | ||
| 347 | P | 92.5 | Very high | 96.1 | Very high | 58 Ų | 58 | 48.9 Ų | 48.9 | 38% | 0.377 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -74.5 | 16.9 | 177.9 | 33.7 | -38.6 | 0 | 0 | 0 | 113.3 | D179 | D179-P347 HydrophobicContact CB-CB 4.11Å; D179-P347 HydrophobicContact CB-CG 4Å; D179-P347 WeakPolarHBondContact OD1-CG 3.39Å |
| 348 | F | 94.8 | Very high | 96.1 | Very high | 24 Ų | 24 | 52.4 Ų | 52.4 | 11% | 0.105 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -152.2 | 154.7 | -179.2 | 45.7 | -108.2 | 0 | 0 | 0 | 112.6 | A186 K189 V190 L338 L346 K352 F353 | A186-F348 HydrophobicContact CB-CD1 3.85Å; A186-F348 HydrophobicContact CB-CE1 3.76Å; A186-F348 HydrophobicContact CB-CZ 4.37Å; K189-F348 HydrophobicContact CB-CE1 4.47Å; K189-F348 HydrophobicContact CD-CE1 4.01Å; K189-F348 HydrophobicContact CD-CZ 4.2Å; V190-F348 HydrophobicContact CG2-CZ 4.36Å; L338-F348 HydrophobicContact CD2-CE2 4.48Å; L338-F348 HydrophobicContact CD2-CZ 4.36Å; L346-F348 HydrophobicContact CB-CD2 4.27Å; L346-F348 HydrophobicContact CB-CE2 4.21Å; L346-F348 HydrophobicContact CD1-CE2 3.99Å; L346-F348 HydrophobicContact CD2-CE2 4.44Å; L346-F348 HydrophobicContact CD2-CZ 4.26Å; L346-F348 HydrophobicContact CG-CE2 4.44Å; L346-F348 PolarHBondContact O-N 3.31Å; F348-K352 HydrophobicContact CB-CB 4.11Å; F348-K352 HydrophobicContact CB-CD 3.7Å; F348-K352 HydrophobicContact CB-CG 3.95Å; F348-K352 HydrophobicContact CG-CG 4.47Å; F348-F353 HydrophobicContact CD2-CB 4.01Å; F348-F353 HydrophobicContact CE2-CB 3.82Å; F348-F353 HydrophobicContact CE2-CD2 4.23Å |
| 349 | S | 95.7 | Very high | 96.1 | Very high | 75 Ų | 75 | 53.8 Ų | 53.8 | 52% | 0.524 | 29% | 0.288 | S | S | . | . | trans | -67.9 | 161.6 | 176.7 | 65.5 | 0 | 0 | 0 | 0 | 112.5 | A351 K352 F353 | S349-A351 VanDerWaalsContact C-N 3.27Å; S349-A351 PolarHBondContact O-N 2.77Å; S349-K352 PolarHBondContact O-N 3.34Å; S349-K352 VanDerWaalsContact O-N 3.14Å; S349-K352 PolarHBondContact OG-N 3.1Å; S349-F353 PolarHBondContact O-N 3.48Å | ||
| 350 | F | 96.5 | Very high | 96.1 | Very high | 90 Ų | 90 | 49.5 Ų | 49.5 | 40% | 0.395 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.4 | -35.8 | 174.9 | -175.8 | -98.3 | 0 | 0 | 0 | 112.7 | I331 Y335 K352 F353 L354 | I331-F350 HydrophobicContact CG2-CZ 4.04Å; Y335-F350 HydrophobicContact CD1-CD2 4.38Å; Y335-F350 HydrophobicContact CD1-CE2 4.32Å; Y335-F350 AromaticContact CD2-CD2 3.83Å; Y335-F350 HydrophobicContact CD2-CD2 3.83Å; Y335-F350 HydrophobicContact CD2-CE2 4.01Å; Y335-F350 HydrophobicContact CE1-CD2 4.34Å; Y335-F350 AromaticContact CE2-CD2 3.77Å; Y335-F350 HydrophobicContact CE2-CD2 3.77Å; Y335-F350 HydrophobicContact CE2-CE2 4.4Å; Y335-F350 HydrophobicContact CG-CD2 4.14Å; Y335-F350 AromaticContact CG-CE2 3.96Å; Y335-F350 HydrophobicContact CG-CE2 3.96Å; F350-K352 PolarHBondContact O-N 3.11Å; F350-F353 HydrophobicContact CD2-CD1 4.07Å; F350-F353 AromaticContact CE2-CD1 3.92Å; F350-F353 HydrophobicContact CE2-CD1 3.92Å; F350-F353 HydrophobicContact CE2-CE1 4.22Å; F350-F353 WeakPolarHBondContact O-CB 3.21Å; F350-F353 PolarHBondContact O-N 3.46Å; F350-L354 WeakPolarHBondContact O-CB 3.42Å; F350-L354 PolarHBondContact O-N 2.93Å |
| 351 | A | 97.4 | Very high | 96.1 | Very high | 70 Ų | 70 | 48.8 Ų | 48.8 | 58% | 0.579 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -62.5 | -41.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S349 L354 L355 | S349-A351 VanDerWaalsContact C-N 3.27Å; S349-A351 PolarHBondContact O-N 2.77Å; A351-L354 PolarHBondContact O-N 3.34Å; A351-L355 PolarHBondContact O-N 3.27Å |
| 352 | K | 97.2 | Very high | 96.1 | Very high | 61 Ų | 61 | 53.5 Ų | 53.5 | 27% | 0.265 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -72.4 | -33.2 | 175.9 | 179.6 | 171.3 | 171 | -164.2 | 0 | 112.2 | G182 F348 S349 F350 A356 | G182-K352 VanDerWaalsContact O-CE 3.26Å; G182-K352 WeakPolarHBondContact O-CE 3.15Å; G182-K352 PolarHBondContact O-NZ 3.49Å; F348-K352 HydrophobicContact CB-CB 4.11Å; F348-K352 HydrophobicContact CB-CD 3.7Å; F348-K352 HydrophobicContact CB-CG 3.95Å; F348-K352 HydrophobicContact CG-CG 4.47Å; S349-K352 PolarHBondContact O-N 3.34Å; S349-K352 VanDerWaalsContact O-N 3.14Å; S349-K352 PolarHBondContact OG-N 3.1Å; F350-K352 PolarHBondContact O-N 3.11Å; K352-A356 VanDerWaalsContact O-CB 3.31Å; K352-A356 WeakPolarHBondContact O-CB 3.41Å; K352-A356 PolarHBondContact O-N 2.86Å |
| 353 | F | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.1 | -52.4 | 167.5 | 165.6 | -99.4 | 0 | 0 | 0 | 111.1 | V190 I331 Y335 L338 F348 S349 F350 L355 A356 W357 | V190-F353 HydrophobicContact CG1-CE2 4.46Å; V190-F353 HydrophobicContact CG2-CD2 3.7Å; V190-F353 HydrophobicContact CG2-CE2 3.93Å; I331-F353 HydrophobicContact CG2-CE1 4.1Å; Y335-F353 HydrophobicContact CD2-CB 4.42Å; Y335-F353 AromaticContact CD2-CD1 3.54Å; Y335-F353 HydrophobicContact CD2-CD1 3.54Å; Y335-F353 AromaticContact CD2-CD2 3.96Å; Y335-F353 HydrophobicContact CD2-CD2 3.96Å; Y335-F353 AromaticContact CD2-CE1 3.71Å; Y335-F353 HydrophobicContact CD2-CE1 3.71Å; Y335-F353 HydrophobicContact CD2-CE2 4.1Å; Y335-F353 AromaticContact CD2-CG 3.69Å; Y335-F353 HydrophobicContact CD2-CG 3.69Å; Y335-F353 AromaticContact CD2-CZ 3.99Å; Y335-F353 HydrophobicContact CD2-CZ 3.99Å; Y335-F353 HydrophobicContact CE2-CB 4.46Å; Y335-F353 HydrophobicContact CE2-CD1 4.31Å; Y335-F353 HydrophobicContact CE2-CG 4.2Å; Y335-F353 HydrophobicContact CG-CD1 4.33Å; Y335-F353 HydrophobicContact CG-CE1 4.1Å; Y335-F353 HydrophobicContact CG-CZ 4.36Å; L338-F353 HydrophobicContact CD2-CD2 3.72Å; L338-F353 HydrophobicContact CD2-CE2 3.69Å; F348-F353 HydrophobicContact CD2-CB 4.01Å; F348-F353 HydrophobicContact CE2-CB 3.82Å; F348-F353 HydrophobicContact CE2-CD2 4.23Å; S349-F353 PolarHBondContact O-N 3.48Å; F350-F353 HydrophobicContact CD2-CD1 4.07Å; F350-F353 AromaticContact CE2-CD1 3.92Å; F350-F353 HydrophobicContact CE2-CD1 3.92Å; F350-F353 HydrophobicContact CE2-CE1 4.22Å; F350-F353 WeakPolarHBondContact O-CB 3.21Å; F350-F353 PolarHBondContact O-N 3.46Å; F353-L355 PolarHBondContact O-N 2.94Å; F353-A356 CarbonylContact O-C 3.45Å; F353-A356 PolarHBondContact O-N 3.48Å; F353-A356 VanDerWaalsContact O-N 3.14Å; F353-W357 HydrophobicContact CZ-CB 4.35Å; F353-W357 AromaticContact CZ-CD1 3.96Å; F353-W357 HydrophobicContact CZ-CG 4.36Å; F353-W357 WeakPolarHBondContact O-CB 3.42Å; F353-W357 PolarHBondContact O-N 3.39Å |
| 354 | L | 98.1 | Very high | 96.4 | Very high | 55 Ų | 55 | 50 Ų | 50 | 29% | 0.288 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.6 | -45.2 | -177.7 | 180 | 60.5 | 0 | 0 | 0 | 111.7 | I331 F350 A351 A356 W357 I358 | I331-L354 HydrophobicContact CD1-CD1 3.72Å; I331-L354 HydrophobicContact CG1-CD1 4.33Å; I331-L354 HydrophobicContact CG2-CD1 4.15Å; F350-L354 WeakPolarHBondContact O-CB 3.42Å; F350-L354 PolarHBondContact O-N 2.93Å; A351-L354 PolarHBondContact O-N 3.34Å; L354-A356 VanDerWaalsContact C-N 3.35Å; L354-A356 PolarHBondContact O-N 3.05Å; L354-W357 PolarHBondContact O-N 2.76Å; L354-I358 HydrophobicContact CD1-CD1 4.03Å; L354-I358 HydrophobicContact CD1-CG1 4.29Å; L354-I358 HydrophobicContact CG-CD1 4.03Å; L354-I358 WeakPolarHBondContact O-CG1 3.23Å; L354-I358 PolarHBondContact O-N 3.32Å |
| 355 | L | 98.2 | Very high | 96.6 | Very high | 99 Ų | 99 | 50.2 Ų | 50.2 | 52% | 0.518 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 176.3 | -173.2 | 64.9 | 0 | 0 | 0 | 112.1 | F183 A351 F353 S359 | F183-L355 HydrophobicContact CE2-CB 4.15Å; F183-L355 HydrophobicContact CE2-CD2 3.92Å; F183-L355 HydrophobicContact CE2-CG 3.84Å; F183-L355 HydrophobicContact CZ-CB 4.41Å; F183-L355 HydrophobicContact CZ-CD2 4.09Å; F183-L355 HydrophobicContact CZ-CG 3.75Å; A351-L355 PolarHBondContact O-N 3.27Å; F353-L355 PolarHBondContact O-N 2.94Å; L355-S359 VanDerWaalsContact O-CB 3.28Å; L355-S359 WeakPolarHBondContact O-CB 3.38Å; L355-S359 PolarHBondContact O-N 2.61Å; L355-S359 PolarHBondContact O-OG 2.89Å |
| 356 | A | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.5 | -36 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | F183 A186 I187 V190 K352 F353 L354 S359 R360 | F183-A356 HydrophobicContact CE2-CB 3.91Å; F183-A356 HydrophobicContact CZ-CB 4.38Å; A186-A356 HydrophobicContact CB-CB 4.05Å; I187-A356 HydrophobicContact CG1-CB 4.2Å; V190-A356 HydrophobicContact CG2-CB 4.09Å; K352-A356 VanDerWaalsContact O-CB 3.31Å; K352-A356 WeakPolarHBondContact O-CB 3.41Å; K352-A356 PolarHBondContact O-N 2.86Å; F353-A356 CarbonylContact O-C 3.45Å; F353-A356 PolarHBondContact O-N 3.48Å; F353-A356 VanDerWaalsContact O-N 3.14Å; L354-A356 VanDerWaalsContact C-N 3.35Å; L354-A356 PolarHBondContact O-N 3.05Å; A356-S359 PolarHBondContact O-N 3.36Å; A356-R360 WeakPolarHBondContact O-CB 3.37Å; A356-R360 PolarHBondContact O-N 2.92Å |
| 357 | W | 98.2 | Very high | 97 | Very high | 6 Ų | 6 | 44.4 Ų | 44.4 | 2% | 0.023 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66 | -51.1 | 175.9 | -173 | 95.6 | 0 | 0 | 0 | 111.7 | V190 F327 W330 I331 D334 F353 L354 S359 R360 E361 | V190-W357 HydrophobicContact CG1-CB 4.13Å; V190-W357 HydrophobicContact CG1-CG 4.45Å; F327-W357 AromaticContact CD1-CH2 3.92Å; F327-W357 HydrophobicContact CD1-CH2 3.92Å; F327-W357 HydrophobicContact CD1-CZ3 4.3Å; F327-W357 HydrophobicContact CE1-CH2 4.26Å; W330-W357 HydrophobicContact CB-CZ2 4.25Å; I331-W357 HydrophobicContact CD1-CE3 4.27Å; I331-W357 HydrophobicContact CD1-CZ3 4.09Å; I331-W357 HydrophobicContact CG1-CD2 4.04Å; I331-W357 HydrophobicContact CG1-CE3 3.85Å; I331-W357 HydrophobicContact CG1-CH2 3.98Å; I331-W357 HydrophobicContact CG1-CZ2 4.13Å; I331-W357 HydrophobicContact CG1-CZ3 3.82Å; D334-W357 PolarHBondContact OD2-NE1 2.81Å; F353-W357 HydrophobicContact CZ-CB 4.35Å; F353-W357 AromaticContact CZ-CD1 3.96Å; F353-W357 HydrophobicContact CZ-CG 4.36Å; F353-W357 WeakPolarHBondContact O-CB 3.42Å; F353-W357 PolarHBondContact O-N 3.39Å; L354-W357 PolarHBondContact O-N 2.76Å; W357-S359 VanDerWaalsContact C-N 3.29Å; W357-S359 PolarHBondContact O-N 3.45Å; W357-R360 WeakPolarHBondContact O-CB 3.5Å; W357-R360 PolarHBondContact O-N 3.35Å; W357-R360 VanDerWaalsContact O-N 3.09Å; W357-E361 HydrophobicContact CD2-CG 4.07Å; W357-E361 HydrophobicContact CE3-CG 4.05Å; W357-E361 HydrophobicContact CH2-CG 3.78Å; W357-E361 HydrophobicContact CZ2-CG 3.81Å; W357-E361 HydrophobicContact CZ3-CG 3.92Å; W357-E361 WeakPolarHBondContact O-CG 3.3Å; W357-E361 PolarHBondContact O-N 3.25Å |
| 358 | I | 98 | Very high | 97.2 | Very high | 75 Ų | 75 | 42.4 Ų | 42.4 | 39% | 0.385 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58 | -44.5 | 174.4 | -65.7 | 168.2 | 0 | 0 | 0 | 110.2 | L354 R360 E361 L362 | L354-I358 HydrophobicContact CD1-CD1 4.03Å; L354-I358 HydrophobicContact CD1-CG1 4.29Å; L354-I358 HydrophobicContact CG-CD1 4.03Å; L354-I358 WeakPolarHBondContact O-CG1 3.23Å; L354-I358 PolarHBondContact O-N 3.32Å; I358-R360 VanDerWaalsContact C-N 3.32Å; I358-R360 PolarHBondContact O-N 2.89Å; I358-E361 PolarHBondContact O-N 3.46Å; I358-L362 HydrophobicContact CG2-CD1 4.05Å; I358-L362 WeakPolarHBondContact O-CG 3.38Å; I358-L362 PolarHBondContact O-N 2.84Å |
| 359 | S | 97.8 | Very high | 97.3 | Very high | 28 Ų | 28 | 46.8 Ų | 46.8 | 20% | 0.196 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61 | -40.4 | 176.9 | -60.2 | 0 | 0 | 0 | 0 | 112.1 | F183 L355 A356 W357 L362 L363 | F183-S359 WeakPolarHBondContact CZ-OG 3.43Å; L355-S359 VanDerWaalsContact O-CB 3.28Å; L355-S359 WeakPolarHBondContact O-CB 3.38Å; L355-S359 PolarHBondContact O-N 2.61Å; L355-S359 PolarHBondContact O-OG 2.89Å; A356-S359 PolarHBondContact O-N 3.36Å; W357-S359 VanDerWaalsContact C-N 3.29Å; W357-S359 PolarHBondContact O-N 3.45Å; S359-L362 PolarHBondContact O-N 3.39Å; S359-L363 VanDerWaalsContact O-CB 3.24Å; S359-L363 WeakPolarHBondContact O-CB 3.22Å; S359-L363 VanDerWaalsContact O-CD1 3.29Å; S359-L363 WeakPolarHBondContact O-CD1 3.47Å; S359-L363 WeakPolarHBondContact O-CG 3.45Å; S359-L363 PolarHBondContact O-N 3.38Å |
| 360 | R | 97.3 | Very high | 97.3 | Very high | 5 Ų | 5 | 45.9 Ų | 45.9 | 2% | 0.019 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.7 | -47.5 | 177.6 | -169.3 | -84.4 | -70 | 160.2 | 10.9 | 111.9 | V190 T191 E299 D334 A356 W357 I358 L362 L363 V364 | V190-R360 HydrophobicContact CG1-CB 4.48Å; T191-R360 HydrophobicContact CG2-CG 4.33Å; T191-R360 WeakPolarHBondContact OG1-CG 3.39Å; E299-R360 IonicContact OE2-NH1 3.8Å; E299-R360 PolarHBondContact OE2-NH1 3.36Å; D334-R360 IonicContact OD2-NH2 3.38Å; A356-R360 WeakPolarHBondContact O-CB 3.37Å; A356-R360 PolarHBondContact O-N 2.92Å; W357-R360 WeakPolarHBondContact O-CB 3.5Å; W357-R360 PolarHBondContact O-N 3.35Å; W357-R360 VanDerWaalsContact O-N 3.09Å; I358-R360 VanDerWaalsContact C-N 3.32Å; I358-R360 PolarHBondContact O-N 2.89Å; R360-L362 VanDerWaalsContact C-N 3.29Å; R360-L362 PolarHBondContact O-N 3.43Å; R360-L363 PolarHBondContact O-N 2.82Å; R360-V364 PolarHBondContact O-N 3.02Å; R360-V364 VanDerWaalsContact O-N 3.11Å |
| 361 | E | 96.9 | Very high | 97.3 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 1% | 0.014 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.7 | -31.1 | 177.8 | -69.5 | -78.1 | 158.3 | 0 | 0 | 112.1 | S300 I301 W357 I358 V364 Y365 | S300-E361 VanDerWaalsContact CB-CD 3.43Å; S300-E361 WeakPolarHBondContact CB-OE1 3.48Å; S300-E361 WeakPolarHBondContact CB-OE2 3.25Å; S300-E361 PolarHBondContact N-OE2 2.79Å; I301-E361 HydrophobicContact CD1-CB 3.8Å; I301-E361 HydrophobicContact CG1-CB 4.22Å; W357-E361 HydrophobicContact CD2-CG 4.07Å; W357-E361 HydrophobicContact CE3-CG 4.05Å; W357-E361 HydrophobicContact CH2-CG 3.78Å; W357-E361 HydrophobicContact CZ2-CG 3.81Å; W357-E361 HydrophobicContact CZ3-CG 3.92Å; W357-E361 WeakPolarHBondContact O-CG 3.3Å; W357-E361 PolarHBondContact O-N 3.25Å; I358-E361 PolarHBondContact O-N 3.46Å; E361-V364 WeakPolarHBondContact O-CG1 3.25Å; E361-Y365 VanDerWaalsContact O-CD2 3.27Å; E361-Y365 WeakPolarHBondContact O-CD2 3.28Å; E361-Y365 WeakPolarHBondContact O-CE2 3.35Å |
| 362 | L | 97.3 | Very high | 97.2 | Very high | 99 Ų | 99 | 42.8 Ų | 42.8 | 52% | 0.518 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -77.6 | -41.6 | 171.9 | -68 | 172.8 | 0 | 0 | 0 | 112.8 | I301 I358 S359 R360 V364 Y365 | I301-L362 HydrophobicContact CD1-CD2 4.1Å; I358-L362 HydrophobicContact CG2-CD1 4.05Å; I358-L362 WeakPolarHBondContact O-CG 3.38Å; I358-L362 PolarHBondContact O-N 2.84Å; S359-L362 PolarHBondContact O-N 3.39Å; R360-L362 VanDerWaalsContact C-N 3.29Å; R360-L362 PolarHBondContact O-N 3.43Å; L362-V364 PolarHBondContact O-N 3.17Å; L362-Y365 PolarHBondContact O-N 3.32Å |
| 363 | L | 97.4 | Very high | 97.1 | Very high | 23 Ų | 23 | 44.3 Ų | 44.3 | 12% | 0.12 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.1 | -25 | -178.6 | -77 | 164.8 | 0 | 0 | 0 | 113.2 | I187 L269 Y272 I273 S359 R360 Y365 V366 V367 | I187-L363 HydrophobicContact CD1-CD1 4.12Å; I187-L363 HydrophobicContact CG2-CD1 4.28Å; L269-L363 HydrophobicContact CD1-CD1 3.65Å; L269-L363 HydrophobicContact CD1-CD2 4.15Å; Y272-L363 HydrophobicContact CE1-CD1 4.16Å; I273-L363 HydrophobicContact CD1-CD2 3.86Å; I273-L363 HydrophobicContact CG1-CD2 4.18Å; S359-L363 VanDerWaalsContact O-CB 3.24Å; S359-L363 WeakPolarHBondContact O-CB 3.22Å; S359-L363 VanDerWaalsContact O-CD1 3.29Å; S359-L363 WeakPolarHBondContact O-CD1 3.47Å; S359-L363 WeakPolarHBondContact O-CG 3.45Å; S359-L363 PolarHBondContact O-N 3.38Å; R360-L363 PolarHBondContact O-N 2.82Å; L363-Y365 VanDerWaalsContact C-N 3.29Å; L363-Y365 PolarHBondContact O-N 2.88Å; L363-V366 PolarHBondContact O-N 3Å; L363-V367 WeakPolarHBondContact O-CG2 3.3Å; L363-V367 PolarHBondContact O-N 2.85Å |
| 364 | V | 96.6 | Very high | 96.9 | Very high | 21 Ų | 21 | 46.8 Ų | 46.8 | 13% | 0.127 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.2 | -37.6 | 179.4 | 82.9 | 0 | 0 | 0 | 0 | 111.6 | E299 R360 E361 L362 V367 F368 | E299-V364 HydrophobicContact CB-CG1 4.41Å; E299-V364 HydrophobicContact CG-CG1 3.8Å; E299-V364 HydrophobicContact CG-CG2 4.33Å; R360-V364 PolarHBondContact O-N 3.02Å; R360-V364 VanDerWaalsContact O-N 3.11Å; E361-V364 WeakPolarHBondContact O-CG1 3.25Å; L362-V364 PolarHBondContact O-N 3.17Å; V364-V367 WeakPolarHBondContact O-CB 3.27Å; V364-V367 PolarHBondContact O-N 3.03Å; V364-F368 HydrophobicContact CG2-CD2 4.01Å; V364-F368 HydrophobicContact CG2-CE2 3.88Å; V364-F368 VanDerWaalsContact O-CD2 3.28Å; V364-F368 WeakPolarHBondContact O-CD2 3.36Å; V364-F368 PolarHBondContact O-N 3.33Å |
| 365 | Y | 96.8 | Very high | 96.7 | Very high | 65 Ų | 65 | 45 Ų | 45 | 26% | 0.255 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.8 | -38.5 | 175.7 | -60.2 | -74.7 | 0 | 0 | 0 | 112.5 | I301 T302 E361 L362 L363 V367 F368 I369 | I301-Y365 HydrophobicContact CB-CE2 4.23Å; I301-Y365 WeakPolarHBondContact CB-OH 3.25Å; I301-Y365 HydrophobicContact CD1-CE2 4.32Å; I301-Y365 HydrophobicContact CG2-CE2 4.47Å; T302-Y365 PolarHBondContact N-OH 2.78Å; T302-Y365 VanDerWaalsContact N-OH 3.08Å; T302-Y365 PolarHBondContact OG1-OH 2.94Å; E361-Y365 VanDerWaalsContact O-CD2 3.27Å; E361-Y365 WeakPolarHBondContact O-CD2 3.28Å; E361-Y365 WeakPolarHBondContact O-CE2 3.35Å; L362-Y365 PolarHBondContact O-N 3.32Å; L363-Y365 VanDerWaalsContact C-N 3.29Å; L363-Y365 PolarHBondContact O-N 2.88Å; Y365-V367 VanDerWaalsContact C-N 3.31Å; Y365-V367 PolarHBondContact O-N 3.47Å; Y365-F368 PolarHBondContact O-N 2.96Å; Y365-I369 VanDerWaalsContact O-CG1 3.3Å; Y365-I369 WeakPolarHBondContact O-CG1 3.14Å; Y365-I369 PolarHBondContact O-N 2.86Å |
| 366 | V | 97.2 | Very high | 96.5 | Very high | 69 Ų | 69 | 45.6 Ų | 45.6 | 42% | 0.418 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.3 | -41.1 | 173 | -178.2 | 0 | 0 | 0 | 0 | 110.6 | L363 T370 | L363-V366 PolarHBondContact O-N 3Å; V366-T370 WeakPolarHBondContact O-CB 3.47Å; V366-T370 PolarHBondContact O-N 3.44Å; V366-T370 PolarHBondContact O-OG1 3.42Å |
| 367 | V | 97.3 | Very high | 96.3 | Very high | 7 Ų | 7 | 51.8 Ų | 51.8 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.7 | -45.3 | 174.6 | 167.2 | 0 | 0 | 0 | 0 | 111.1 | I273 M276 V277 L280 L363 V364 Y365 A371 | I273-V367 HydrophobicContact CG2-CG2 4.24Å; M276-V367 HydrophobicContact CB-CG1 3.91Å; M276-V367 HydrophobicContact CB-CG2 3.8Å; V277-V367 HydrophobicContact CG2-CB 4.29Å; V277-V367 HydrophobicContact CG2-CG1 4.08Å; V277-V367 HydrophobicContact CG2-CG2 4.29Å; L280-V367 HydrophobicContact CB-CG1 4.39Å; L280-V367 HydrophobicContact CD2-CG1 4.01Å; L363-V367 WeakPolarHBondContact O-CG2 3.3Å; L363-V367 PolarHBondContact O-N 2.85Å; V364-V367 WeakPolarHBondContact O-CB 3.27Å; V364-V367 PolarHBondContact O-N 3.03Å; Y365-V367 VanDerWaalsContact C-N 3.31Å; Y365-V367 PolarHBondContact O-N 3.47Å; V367-A371 WeakPolarHBondContact O-CB 3.15Å; V367-A371 PolarHBondContact O-N 3Å |
| 368 | F | 96.9 | Very high | 96.1 | Very high | 16 Ų | 16 | 51.6 Ų | 51.6 | 7% | 0.07 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.8 | -55 | 177.3 | -93.3 | -71.8 | 0 | 0 | 0 | 112.3 | L280 S291 E295 P296 V364 Y365 T370 A371 L372 | L280-F368 HydrophobicContact CD1-CD1 4.47Å; L280-F368 HydrophobicContact CD1-CE1 3.82Å; L280-F368 HydrophobicContact CD1-CZ 4.2Å; L280-F368 HydrophobicContact CD2-CB 4.41Å; L280-F368 HydrophobicContact CD2-CD1 3.48Å; L280-F368 VanDerWaalsContact CD2-CD1 3.48Å; L280-F368 HydrophobicContact CD2-CD2 4.4Å; L280-F368 HydrophobicContact CD2-CE1 3.64Å; L280-F368 HydrophobicContact CD2-CG 3.86Å; L280-F368 HydrophobicContact CD2-CZ 4.15Å; L280-F368 HydrophobicContact CG-CE1 4.37Å; S291-F368 WeakPolarHBondContact O-CE1 2.9Å; E295-F368 HydrophobicContact CB-CZ 3.93Å; P296-F368 HydrophobicContact CB-CD1 4.36Å; P296-F368 HydrophobicContact CB-CD2 4.3Å; P296-F368 HydrophobicContact CB-CE1 4Å; P296-F368 HydrophobicContact CB-CE2 3.93Å; P296-F368 HydrophobicContact CB-CZ 3.8Å; P296-F368 HydrophobicContact CG-CE1 3.97Å; P296-F368 HydrophobicContact CG-CZ 4.07Å; V364-F368 HydrophobicContact CG2-CD2 4.01Å; V364-F368 HydrophobicContact CG2-CE2 3.88Å; V364-F368 VanDerWaalsContact O-CD2 3.28Å; V364-F368 WeakPolarHBondContact O-CD2 3.36Å; V364-F368 PolarHBondContact O-N 3.33Å; Y365-F368 PolarHBondContact O-N 2.96Å; F368-T370 PolarHBondContact O-N 3Å; F368-A371 PolarHBondContact O-N 3.3Å; F368-L372 WeakPolarHBondContact O-CB 3.27Å; F368-L372 VanDerWaalsContact O-CG 3.29Å; F368-L372 WeakPolarHBondContact O-CG 3.26Å; F368-L372 PolarHBondContact O-N 3.5Å |
| 369 | I | 96.3 | Very high | 95.8 | Very high | 116 Ų | 116 | 55.1 Ų | 55.1 | 60% | 0.595 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -56.8 | -51 | 179.4 | -66.6 | 164.3 | 0 | 0 | 0 | 109.7 | Y365 A371 L372 S373 | Y365-I369 VanDerWaalsContact O-CG1 3.3Å; Y365-I369 WeakPolarHBondContact O-CG1 3.14Å; Y365-I369 PolarHBondContact O-N 2.86Å; I369-A371 VanDerWaalsContact C-N 3.32Å; I369-A371 PolarHBondContact O-N 2.91Å; I369-L372 PolarHBondContact O-N 2.96Å; I369-S373 PolarHBondContact O-N 3.15Å; I369-S373 PolarHBondContact O-OG 3.12Å |
| 370 | T | 96.6 | Very high | 95.2 | Very high | 56 Ų | 56 | 56.8 Ų | 56.8 | 34% | 0.344 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.2 | -36 | -179.4 | -53.4 | 0 | 0 | 0 | 0 | 112.4 | V277 R281 V366 F368 | V277-T370 HydrophobicContact CG1-CG2 4.14Å; V277-T370 HydrophobicContact CG2-CG2 3.89Å; R281-T370 PolarHBondContact NH2-O 2.99Å; V366-T370 WeakPolarHBondContact O-CB 3.47Å; V366-T370 PolarHBondContact O-N 3.44Å; V366-T370 PolarHBondContact O-OG1 3.42Å; F368-T370 PolarHBondContact O-N 3Å |
| 371 | A | 96.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.6 | -50 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V277 L280 R281 L284 V367 F368 I369 S373 N374 P375 | V277-A371 HydrophobicContact CG1-CB 4.32Å; L280-A371 HydrophobicContact CB-CB 4.15Å; L280-A371 HydrophobicContact CD2-CB 3.57Å; L280-A371 HydrophobicContact CG-CB 3.83Å; R281-A371 HydrophobicContact CG-CB 3.93Å; R281-A371 PolarHBondContact NE-O 3.24Å; L284-A371 HydrophobicContact CD1-CB 4.12Å; V367-A371 WeakPolarHBondContact O-CB 3.15Å; V367-A371 PolarHBondContact O-N 3Å; F368-A371 PolarHBondContact O-N 3.3Å; I369-A371 VanDerWaalsContact C-N 3.32Å; I369-A371 PolarHBondContact O-N 2.91Å; A371-S373 VanDerWaalsContact C-N 3.33Å; A371-S373 PolarHBondContact O-N 3.48Å; A371-N374 CarbonylContact O-C 3.55Å; A371-N374 VanDerWaalsContact O-C 3.3Å; A371-N374 PolarHBondContact O-N 3.31Å; A371-P375 VanDerWaalsContact O-CA 3.31Å; A371-P375 WeakPolarHBondContact O-CA 3.42Å |
| 372 | L | 94.8 | Very high | 93.7 | Very high | 94 Ų | 94 | 64.6 Ų | 64.6 | 49% | 0.492 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68 | -23.3 | -177.2 | -68.5 | 169.5 | 0 | 0 | 0 | 114 | L284 F368 I369 N374 P375 | L284-L372 HydrophobicContact CD1-CD2 3.93Å; L284-L372 HydrophobicContact CD1-CG 4.5Å; L284-L372 HydrophobicContact CD2-CD2 4.2Å; F368-L372 WeakPolarHBondContact O-CB 3.27Å; F368-L372 VanDerWaalsContact O-CG 3.29Å; F368-L372 WeakPolarHBondContact O-CG 3.26Å; F368-L372 PolarHBondContact O-N 3.5Å; I369-L372 PolarHBondContact O-N 2.96Å; L372-N374 PolarHBondContact O-N 2.81Å; L372-P375 WeakPolarHBondContact O-CD 3.4Å |
| 373 | S | 95 | Very high | 93.3 | Very high | 94 Ų | 94 | 62.8 Ų | 62.8 | 66% | 0.657 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -21.7 | 172.3 | -48.4 | 0 | 0 | 0 | 0 | 113.8 | I369 A371 | I369-S373 PolarHBondContact O-N 3.15Å; I369-S373 PolarHBondContact O-OG 3.12Å; A371-S373 VanDerWaalsContact C-N 3.33Å; A371-S373 PolarHBondContact O-N 3.48Å |
| 374 | N | 93.3 | Very high | 93.1 | Very high | 51 Ų | 51 | 63.3 Ų | 63.3 | 27% | 0.273 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -157.9 | 70.1 | 175.1 | -161.6 | -28.9 | 0 | 0 | 0 | 111.4 | R281 A371 L372 W376 R377 | R281-N374 VanDerWaalsContact CD-O 3.26Å; R281-N374 WeakPolarHBondContact CD-O 3.45Å; R281-N374 VanDerWaalsContact CZ-O 3.24Å; R281-N374 PolarHBondContact NE-O 3.41Å; A371-N374 CarbonylContact O-C 3.55Å; A371-N374 VanDerWaalsContact O-C 3.3Å; A371-N374 PolarHBondContact O-N 3.31Å; L372-N374 PolarHBondContact O-N 2.81Å; N374-W376 VanDerWaalsContact C-N 3.29Å; N374-W376 PolarHBondContact O-N 3.45Å; N374-W376 VanDerWaalsContact OD1-CD1 3.3Å; N374-R377 PolarHBondContact O-N 3.01Å; N374-R377 WeakPolarHBondContact OD1-CB 3.42Å; N374-R377 PolarHBondContact OD1-N 2.97Å |
| 375 | P | 93.5 | Very high | 93.1 | Very high | 17 Ų | 17 | 62.4 Ų | 62.4 | 11% | 0.11 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -27.1 | -163.1 | 25.2 | -31.6 | 0 | 0 | 0 | 113 | R281 L284 N285 A371 L372 | R281-P375 WeakPolarHBondContact CB-O 3.18Å; L284-P375 HydrophobicContact CD1-CB 4.24Å; N285-P375 PolarHBondContact ND2-O 3.22Å; A371-P375 VanDerWaalsContact O-CA 3.31Å; A371-P375 WeakPolarHBondContact O-CA 3.42Å; L372-P375 WeakPolarHBondContact O-CD 3.4Å |
| 376 | W | 93.8 | Very high | 93 | Very high | 112 Ų | 112 | 65 Ų | 65 | 42% | 0.424 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -17.1 | -179.3 | 17.1 | 79 | 0 | 0 | 0 | 114.6 | N374 R386 I387 | N374-W376 VanDerWaalsContact C-N 3.29Å; N374-W376 PolarHBondContact O-N 3.45Å; N374-W376 VanDerWaalsContact OD1-CD1 3.3Å; W376-R386 HydrophobicContact CB-CG 4.38Å; W376-R386 CarbonylContact O-C 3.53Å; W376-R386 WeakPolarHBondContact O-CA 3.49Å; W376-I387 WeakPolarHBondContact CB-O 3.41Å; W376-I387 PolarHBondContact O-N 2.86Å |
| 377 | R | 94.6 | Very high | 92.9 | Very high | 130 Ų | 130 | 62 Ų | 62 | 49% | 0.491 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 124.4 | -172.2 | -167.2 | 175.7 | -177.5 | 175.6 | 1.4 | 112.4 | R281 N374 T384 Y385 | R281-R377 WeakPolarHBondContact CD-O 3.31Å; R281-R377 PolarHBondContact NH1-O 2.98Å; N374-R377 PolarHBondContact O-N 3.01Å; N374-R377 WeakPolarHBondContact OD1-CB 3.42Å; N374-R377 PolarHBondContact OD1-N 2.97Å; R377-T384 HydrophobicContact CG-CG2 3.81Å; R377-Y385 WeakPolarHBondContact CA-O 3.42Å |
| 378 | I | 93.9 | Very high | 92.8 | Very high | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 131.6 | 177.6 | -68 | -166.3 | 0 | 0 | 0 | 111.3 | L236 R278 R281 L282 W380 T384 Y385 I387 | L236-I378 HydrophobicContact CD1-CB 4.28Å; L236-I378 HydrophobicContact CD1-CG2 4.05Å; R278-I378 HydrophobicContact CG-CD1 3.96Å; R278-I378 HydrophobicContact CG-CG2 3.67Å; R278-I378 WeakPolarHBondContact O-CD1 3.39Å; R281-I378 HydrophobicContact CB-CD1 3.75Å; R281-I378 HydrophobicContact CB-CG1 3.95Å; L282-I378 HydrophobicContact CD2-CD1 3.91Å; L282-I378 HydrophobicContact CG-CD1 3.66Å; I378-W380 HydrophobicContact CG2-CB 4.48Å; I378-T384 CarbonylContact O-C 3.53Å; I378-T384 WeakPolarHBondContact O-CA 3.36Å; I378-Y385 PolarHBondContact N-O 3.25Å; I378-Y385 PolarHBondContact O-N 2.99Å; I378-I387 HydrophobicContact CB-CD1 4.47Å; I378-I387 HydrophobicContact CD1-CD1 3.32Å; I378-I387 HydrophobicContact CG1-CD1 3.82Å |
| 379 | K | 91.3 | Very high | 92.5 | Very high | 149 Ų | 149 | 71.1 Ų | 71.1 | 65% | 0.648 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 128.7 | 164.9 | -172.4 | 175.3 | -178.7 | 176.2 | 0 | 109.2 | Y383 | K379-Y383 WeakPolarHBondContact CA-O 3.18Å |
| 380 | W | 85.6 | Confident | 92.2 | Very high | 63 Ų | 63 | 67.5 Ų | 67.5 | 24% | 0.239 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 120.9 | 173.9 | -172.4 | 3.3 | 0 | 0 | 0 | 109.5 | P125 M126 L236 I378 N382 Y383 Y385 | P125-W380 HydrophobicContact CG-CD2 4.13Å; P125-W380 HydrophobicContact CG-CE3 4.03Å; P125-W380 HydrophobicContact CG-CZ3 4.27Å; M126-W380 HydrophobicContact CB-CH2 3.95Å; M126-W380 HydrophobicContact CB-CZ2 4.14Å; L236-W380 HydrophobicContact CD1-CE3 4.45Å; L236-W380 HydrophobicContact CD2-CE3 3.89Å; L236-W380 HydrophobicContact CD2-CZ3 3.98Å; I378-W380 HydrophobicContact CG2-CB 4.48Å; W380-N382 PolarHBondContact O-N 3.44Å; W380-Y383 PolarHBondContact N-O 2.96Å; W380-Y383 PolarHBondContact O-N 3.07Å; W380-Y385 HydrophobicContact CB-CE2 4.17Å |
| 381 | G | 81.3 | Confident | 92 | Very high | 37 Ų | 37 | 65 Ų | 65 | 38% | 0.381 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | -134.4 | -169.5 | 0 | 0 | 0 | 0 | 0 | 110 | Y383 | G381-Y383 VanDerWaalsContact C-N 3.29Š|
| 382 | N | 81.7 | Confident | 91.9 | Very high | 136 Ų | 136 | 69 Ų | 69 | 73% | 0.727 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -2.8 | 179.6 | -62.6 | -20.4 | 0 | 0 | 0 | 113.3 | W380 | W380-N382 PolarHBondContact O-N 3.44Š|
| 383 | Y | 89 | Confident | 91.9 | Very high | 60 Ų | 60 | 65.2 Ų | 65.2 | 24% | 0.235 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 155.2 | -172.5 | -53.2 | -58.9 | 0 | 0 | 0 | 112.5 | Q90 K379 W380 G381 Y385 R395 | Q90-Y383 PolarHBondContact NE2-OH 3.42Å; K379-Y383 WeakPolarHBondContact CA-O 3.18Å; W380-Y383 PolarHBondContact N-O 2.96Å; W380-Y383 PolarHBondContact O-N 3.07Å; G381-Y383 VanDerWaalsContact C-N 3.29Å; Y383-Y385 WeakPolarHBondContact CB-OH 3.19Å; Y383-Y385 WeakPolarHBondContact CD2-OH 3.39Å; Y383-R395 VanDerWaalsContact CE1-CZ 3.49Å |
| 384 | T | 93.8 | Very high | 91.9 | Very high | 35 Ų | 35 | 65.8 Ų | 65.8 | 22% | 0.215 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 140.2 | 171.9 | -51.2 | 0 | 0 | 0 | 0 | 108.9 | R377 I378 L396 | R377-T384 HydrophobicContact CG-CG2 3.81Å; I378-T384 CarbonylContact O-C 3.53Å; I378-T384 WeakPolarHBondContact O-CA 3.36Å; T384-L396 HydrophobicContact CG2-CD1 4.12Å; T384-L396 WeakPolarHBondContact O-CB 3.24Å; T384-L396 PolarHBondContact O-N 2.86Å |
| 385 | Y | 95.6 | Very high | 91.9 | Very high | 2 Ų | 2 | 69.7 Ų | 69.7 | 1% | 0.008 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 148.7 | -174.2 | -58.4 | -91.2 | 0 | 0 | 0 | 109.9 | V123 P125 L236 R377 I378 W380 Y383 T393 Q394 R395 | V123-Y385 HydrophobicContact CG1-CD1 4.23Å; V123-Y385 HydrophobicContact CG1-CE1 4.09Å; V123-Y385 WeakPolarHBondContact O-CE1 3.45Å; P125-Y385 WeakPolarHBondContact CD-OH 3.1Å; P125-Y385 WeakPolarHBondContact CG-OH 3.28Å; L236-Y385 HydrophobicContact CD1-CD2 4.03Å; L236-Y385 HydrophobicContact CD1-CG 3.9Å; L236-Y385 HydrophobicContact CD2-CD1 4.12Å; L236-Y385 HydrophobicContact CD2-CD2 4.38Å; L236-Y385 HydrophobicContact CD2-CE1 4.19Å; L236-Y385 HydrophobicContact CD2-CE2 4.47Å; L236-Y385 HydrophobicContact CD2-CG 4.22Å; L236-Y385 HydrophobicContact CG-CG 4.46Å; R377-Y385 WeakPolarHBondContact CA-O 3.42Å; I378-Y385 PolarHBondContact N-O 3.25Å; I378-Y385 PolarHBondContact O-N 2.99Å; W380-Y385 HydrophobicContact CB-CE2 4.17Å; Y383-Y385 WeakPolarHBondContact CB-OH 3.19Å; Y383-Y385 WeakPolarHBondContact CD2-OH 3.39Å; Y385-T393 HydrophobicContact CD1-CG2 3.58Å; Y385-T393 HydrophobicContact CE1-CG2 4.46Å; Y385-T393 HydrophobicContact CG-CG2 4.11Å; Y385-Q394 CarbonylContact C-O 3.58Å; Y385-Q394 VanDerWaalsContact CA-O 3.3Å; Y385-Q394 WeakPolarHBondContact CA-O 3.4Å; Y385-R395 HydrophobicContact CD1-CB 3.93Å; Y385-R395 HydrophobicContact CD1-CG 4.48Å; Y385-R395 HydrophobicContact CE1-CB 3.85Å; Y385-R395 HydrophobicContact CE1-CG 4.18Å |
| 386 | R | 95.6 | Very high | 91.8 | Very high | 120 Ų | 120 | 71.5 Ų | 71.5 | 45% | 0.453 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 132.3 | 162.3 | -173.3 | 177.4 | -169.8 | 161.5 | 2.8 | 108 | W376 Q394 L396 | W376-R386 HydrophobicContact CB-CG 4.38Å; W376-R386 CarbonylContact O-C 3.53Å; W376-R386 WeakPolarHBondContact O-CA 3.49Å; R386-Q394 PolarHBondContact N-O 3.37Å; R386-Q394 PolarHBondContact O-N 2.94Å; R386-L396 HydrophobicContact CB-CD1 4.47Å; R386-L396 HydrophobicContact CB-CD2 3.99Å; R386-L396 HydrophobicContact CB-CG 4.23Å |
| 387 | I | 94.9 | Very high | 91.2 | Very high | 4 Ų | 4 | 70.8 Ų | 70.8 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 138.9 | 171.8 | -57.1 | 162.5 | 0 | 0 | 0 | 107.6 | L236 L282 N285 W376 I378 | L236-I387 HydrophobicContact CD1-CD1 4.31Å; L236-I387 HydrophobicContact CD1-CG1 4.41Å; L282-I387 HydrophobicContact CD2-CD1 3.63Å; L282-I387 HydrophobicContact CG-CD1 4.42Å; N285-I387 HydrophobicContact CB-CB 4.3Å; N285-I387 HydrophobicContact CB-CG2 3.5Å; W376-I387 WeakPolarHBondContact CB-O 3.41Å; W376-I387 PolarHBondContact O-N 2.86Å; I378-I387 HydrophobicContact CB-CD1 4.47Å; I378-I387 HydrophobicContact CD1-CD1 3.32Å; I378-I387 HydrophobicContact CG1-CD1 3.82Å |
| 388 | H | 94 | Very high | 89.6 | Confident | 77 Ų | 77 | 69.6 Ų | 69.6 | 36% | 0.356 | 36% | 0.361 | S | S | . | . | trans | -102.6 | 161 | 173 | -61.2 | -98.5 | 0 | 0 | 0 | 109.7 | G390 G391 L392 | H388-G390 PolarHBondContact O-N 2.57Å; H388-G391 WeakPolarHBondContact O-CA 3.46Å; H388-G391 PolarHBondContact O-N 3.05Å; H388-L392 PolarHBondContact N-O 3.12Å | ||
| 389 | F | 91.6 | Very high | 87.1 | Confident | 138 Ų | 138 | 76.5 Ų | 76.5 | 61% | 0.605 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 138.4 | 171 | -75.1 | -69.3 | 0 | 0 | 0 | 110.8 | P288 G391 | P288-F389 HydrophobicContact CB-CE1 4.18Å; P288-F389 HydrophobicContact CG-CD1 4.45Å; P288-F389 HydrophobicContact CG-CE1 4.33Å; F389-G391 VanDerWaalsContact C-N 3.34Å |
| 390 | G | 90 | Very high | 84.3 | Confident | 41 Ų | 41 | 73.9 Ų | 73.9 | 42% | 0.423 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | 12.7 | -166.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F241 N285 H388 L392 | F241-G390 WeakPolarHBondContact CE1-O 3.45Å; F241-G390 WeakPolarHBondContact CZ-O 3.33Å; N285-G390 PolarHBondContact O-N 2.87Å; H388-G390 PolarHBondContact O-N 2.57Å; G390-L392 VanDerWaalsContact C-N 3.25Å; G390-L392 PolarHBondContact O-N 3.35Å; G390-L392 VanDerWaalsContact O-N 3.14Å |
| 391 | G | 91.4 | Very high | 81.7 | Confident | 4 Ų | 4 | 76.6 Ų | 76.6 | 4% | 0.041 | 42% | 0.422 | C | S | . | . | S | Bend | trans | 74.8 | -6.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | N285 H388 F389 T393 | N285-G391 PolarHBondContact O-N 3.41Å; H388-G391 WeakPolarHBondContact O-CA 3.46Å; H388-G391 PolarHBondContact O-N 3.05Å; F389-G391 VanDerWaalsContact C-N 3.34Å; G391-T393 PolarHBondContact O-N 2.68Å; G391-T393 PolarHBondContact O-OG1 3.37Å |
| 392 | L | 95.1 | Very high | 79.2 | Confident | 84 Ų | 84 | 81.1 Ų | 81.1 | 44% | 0.44 | 44% | 0.436 | S | S | . | . | B | Isolated β-bridge | trans | -54.2 | 130.8 | 179.1 | -79.3 | 173.4 | 0 | 0 | 0 | 110.6 | K234 Y235 H388 G390 | K234-L392 HydrophobicContact CB-CD2 4.46Å; K234-L392 HydrophobicContact CD-CD2 4.03Å; K234-L392 HydrophobicContact CG-CD2 4.1Å; Y235-L392 HydrophobicContact CD1-CD2 4.31Å; Y235-L392 HydrophobicContact CE1-CD2 3.66Å; Y235-L392 HydrophobicContact CE1-CG 3.97Å; H388-L392 PolarHBondContact N-O 3.12Å; G390-L392 VanDerWaalsContact C-N 3.25Å; G390-L392 PolarHBondContact O-N 3.35Å; G390-L392 VanDerWaalsContact O-N 3.14Å |
| 393 | T | 95.9 | Very high | 76.7 | Confident | 14 Ų | 14 | 80.6 Ų | 80.6 | 9% | 0.086 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 128.8 | -171.1 | -61.3 | 0 | 0 | 0 | 0 | 111.2 | V123 K234 L236 Y385 G391 | V123-T393 HydrophobicContact CG1-CG2 3.84Å; K234-T393 WeakPolarHBondContact O-CB 3.31Å; K234-T393 PolarHBondContact O-N 2.92Å; L236-T393 HydrophobicContact CD1-CG2 4.2Å; L236-T393 HydrophobicContact CD2-CG2 3.83Å; L236-T393 HydrophobicContact CG-CG2 3.54Å; L236-T393 PolarHBondContact N-OG1 3.11Å; L236-T393 VanDerWaalsContact N-OG1 3.08Å; Y385-T393 HydrophobicContact CD1-CG2 3.58Å; Y385-T393 HydrophobicContact CE1-CG2 4.46Å; Y385-T393 HydrophobicContact CG-CG2 4.11Å; G391-T393 PolarHBondContact O-N 2.68Å; G391-T393 PolarHBondContact O-OG1 3.37Å |
| 394 | Q | 94.1 | Very high | 73.6 | Confident | 106 Ų | 106 | 83.1 Ų | 83.1 | 50% | 0.495 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 127.1 | 165.8 | -170.3 | -177.9 | 14.2 | 0 | 0 | 109.6 | Y385 R386 L396 | Y385-Q394 CarbonylContact C-O 3.58Å; Y385-Q394 VanDerWaalsContact CA-O 3.3Å; Y385-Q394 WeakPolarHBondContact CA-O 3.4Å; R386-Q394 PolarHBondContact N-O 3.37Å; R386-Q394 PolarHBondContact O-N 2.94Å; Q394-L396 PolarHBondContact O-N 3.22Å |
| 395 | R | 92.7 | Very high | 70.4 | Confident | 133 Ų | 133 | 88.6 Ų | 88.6 | 50% | 0.502 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 122.5 | 166 | 175.4 | 170.9 | 157.5 | -173.5 | -10.5 | 108.2 | V123 Y383 Y385 | V123-R395 HydrophobicContact CG1-CB 4.14Å; Y383-R395 VanDerWaalsContact CE1-CZ 3.49Å; Y385-R395 HydrophobicContact CD1-CB 3.93Å; Y385-R395 HydrophobicContact CD1-CG 4.48Å; Y385-R395 HydrophobicContact CE1-CB 3.85Å; Y385-R395 HydrophobicContact CE1-CG 4.18Å |
| 396 | L | 92.4 | Very high | 67.1 | Low | 54 Ų | 54 | 98.8 Ų | 98.8 | 28% | 0.283 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 136.8 | 171.8 | -63.2 | 176.7 | 0 | 0 | 0 | 108.2 | T384 R386 Q394 S398 | T384-L396 HydrophobicContact CG2-CD1 4.12Å; T384-L396 WeakPolarHBondContact O-CB 3.24Å; T384-L396 PolarHBondContact O-N 2.86Å; R386-L396 HydrophobicContact CB-CD1 4.47Å; R386-L396 HydrophobicContact CB-CD2 3.99Å; R386-L396 HydrophobicContact CB-CG 4.23Å; Q394-L396 PolarHBondContact O-N 3.22Å; L396-S398 PolarHBondContact O-N 3.22Å |
| 397 | S | 80.1 | Confident | 64.1 | Low | 97 Ų | 97 | 98 Ų | 98 | 68% | 0.678 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -54.9 | 127.2 | 161.8 | 46.7 | 0 | 0 | 0 | 0 | 107.9 | N399 | S397-N399 PolarHBondContact O-N 3.5Š|
| 398 | S | 60.6 | Low | 60.8 | Low | 106 Ų | 106 | 102.8 Ų | 102.8 | 74% | 0.741 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 138.4 | 151.7 | -175.7 | 0 | 0 | 0 | 0 | 106 | L396 S400 | L396-S398 PolarHBondContact O-N 3.22Å; S398-S400 PolarHBondContact O-N 2.94Å |
| 399 | N | 42.3 | Very low | 57.7 | Low | 147 Ų | 147 | 105.8 Ų | 105.8 | 79% | 0.786 | 57% | 0.574 | S | S | * | * | trans | -61.9 | 92.5 | 169.9 | -75.9 | 1.2 | 0 | 0 | 0 | 107 | S397 T401 | S397-N399 PolarHBondContact O-N 3.5Å; N399-T401 VanDerWaalsContact C-N 3.33Å; N399-T401 PolarHBondContact O-N 3.4Å; N399-T401 VanDerWaalsContact O-N 3.09Å | ||
| 400 | S | 33.3 | Very low | 54.5 | Low | 94 Ų | 94 | 109.7 Ų | 109.7 | 66% | 0.657 | 59% | 0.586 | S | S | * | * | trans | -54.2 | 110.8 | 146.7 | 47.4 | 0 | 0 | 0 | 0 | 104.2 | S398 I402 | S398-S400 PolarHBondContact O-N 2.94Å; S400-I402 PolarHBondContact O-N 2.64Å | ||
| 401 | T | 30 | Very low | 51.6 | Low | 120 Ų | 120 | 117.7 Ų | 117.7 | 74% | 0.736 | 61% | 0.61 | S | S | * | * | trans | -46.6 | 110.8 | 167.5 | -47.6 | 0 | 0 | 0 | 0 | 106 | N399 I403 | N399-T401 VanDerWaalsContact C-N 3.33Å; N399-T401 PolarHBondContact O-N 3.4Å; N399-T401 VanDerWaalsContact O-N 3.09Å; T401-I403 HydrophobicContact CG2-CG1 4.18Å; T401-I403 PolarHBondContact O-N 2.89Å | ||
| 402 | I | 29.2 | Very low | 48.3 | Very low | 131 Ų | 131 | 125.7 Ų | 125.7 | 67% | 0.672 | 65% | 0.648 | S | S | * | * | trans | -71.3 | 86.1 | 169.7 | -57.2 | 179.1 | 0 | 0 | 0 | 103.6 | S400 N404 | S400-I402 PolarHBondContact O-N 2.64Å; I402-N404 VanDerWaalsContact CG2-OD1 3.25Å; I402-N404 WeakPolarHBondContact CG2-OD1 3.16Å; I402-N404 PolarHBondContact O-N 2.89Å | ||
| 403 | I | 29 | Very low | 45.1 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 64% | 0.641 | 67% | 0.669 | S | S | * | * | trans | -62.5 | 96.1 | 159.6 | -61.1 | 177.2 | 0 | 0 | 0 | 103 | T401 H405 | T401-I403 HydrophobicContact CG2-CG1 4.18Å; T401-I403 PolarHBondContact O-N 2.89Å; I403-H405 PolarHBondContact O-N 3.21Å | ||
| 404 | N | 24.2 | Very low | 41.8 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 60% | 0.604 | 70% | 0.696 | S | S | * | * | trans | -63.9 | 83.3 | 169 | -79.7 | -31.4 | 0 | 0 | 0 | 106.7 | I402 Y406 | I402-N404 VanDerWaalsContact CG2-OD1 3.25Å; I402-N404 WeakPolarHBondContact CG2-OD1 3.16Å; I402-N404 PolarHBondContact O-N 2.89Å; N404-Y406 HydrophobicContact CB-CD2 3.92Å; N404-Y406 HydrophobicContact CB-CE2 4.02Å; N404-Y406 PolarHBondContact O-N 3.43Å | ||
| 405 | H | 27.6 | Very low | 38.4 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 69% | 0.694 | 71% | 0.712 | S | S | * | * | trans | -65.5 | 85.6 | 154.8 | -90.6 | -50.4 | 0 | 0 | 0 | 106.9 | I403 T407 | I403-H405 PolarHBondContact O-N 3.21Å; H405-T407 PolarHBondContact O-N 3.14Å | ||
| 406 | Y | 25.8 | Very low | 35.2 | Very low | 217 Ų | 217 | 138.1 Ų | 138.1 | 85% | 0.851 | 72% | 0.721 | S | S | * | * | trans | -62.9 | 77.7 | 151 | -81.9 | -82.9 | 0 | 0 | 0 | 107.8 | N404 | N404-Y406 HydrophobicContact CB-CD2 3.92Å; N404-Y406 HydrophobicContact CB-CE2 4.02Å; N404-Y406 PolarHBondContact O-N 3.43Å | ||
| 407 | T | 31.2 | Very low | 31.9 | Very low | 103 Ų | 103 | 143.2 Ų | 143.2 | 63% | 0.632 | 75% | 0.748 | S | S | * | * | trans | -114.7 | 112.2 | 160.6 | 47 | 0 | 0 | 0 | 0 | 106.1 | H405 D409 | H405-T407 PolarHBondContact O-N 3.14Å; T407-D409 PolarHBondContact O-N 3.14Å | ||
| 408 | S | 25.7 | Very low | 29.4 | Very low | 105 Ų | 105 | 144.9 Ų | 144.9 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | trans | -52 | 121.3 | 170.3 | -165.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 409 | D | 29.3 | Very low | 27.6 | Very low | 140 Ų | 140 | 143.5 Ų | 143.5 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | 172.2 | 156.1 | 113.7 | -81.6 | -17.6 | 0 | 0 | 0 | 111.3 | T407 F411 | T407-D409 PolarHBondContact O-N 3.14Å; D409-F411 PolarHBondContact O-N 2.75Å | |||
| 410 | Y | 25.7 | Very low | 26.8 | Very low | 220 Ų | 220 | 141.3 Ų | 141.3 | 86% | 0.863 | 75% | 0.746 | S | S | * | * | trans | -48.8 | 127.2 | -180 | -79.7 | -112.4 | 0 | 0 | 0 | 112.8 | ||||
| 411 | F | 27.4 | Very low | 26.4 | Very low | 209 Ų | 209 | 148 Ų | 148 | 92% | 0.917 | 76% | 0.758 | S | S | * | * | trans | -155.4 | 133.3 | 133.8 | -111.1 | -72.1 | 0 | 0 | 0 | 113.2 | D409 K413 | D409-F411 PolarHBondContact O-N 2.75Å; F411-K413 PolarHBondContact O-N 2.94Å | ||
| 412 | M | 23.7 | Very low | 26.3 | Very low | 172 Ų | 172 | 149.4 Ų | 149.4 | 85% | 0.847 | 76% | 0.761 | S | S | * | * | trans | -71.1 | 115.1 | -179.6 | -175.8 | 178.1 | -177.1 | 0 | 0 | 110.6 | I414 | M412-I414 PolarHBondContact O-N 3.47Š| ||
| 413 | K | 26.5 | Very low | 26.2 | Very low | 202 Ų | 202 | 149.8 Ų | 149.8 | 88% | 0.878 | 76% | 0.755 | S | S | * | * | trans | -88.1 | 98.6 | -178.1 | -142.2 | 175.5 | -169.1 | 177.8 | 0 | 111.1 | F411 | F411-K413 PolarHBondContact O-N 2.94Š| ||
| 414 | I | 26.2 | Very low | 26.1 | Very low | 127 Ų | 127 | 153 Ų | 153 | 65% | 0.651 | 76% | 0.764 | S | S | * | * | trans | -69.2 | 128.8 | 167.1 | -63.6 | 173.6 | 0 | 0 | 0 | 108.2 | M412 T416 | M412-I414 PolarHBondContact O-N 3.47Å; I414-T416 HydrophobicContact CG2-CG2 4.17Å; I414-T416 PolarHBondContact O-N 2.95Å | ||
| 415 | N | 23.3 | Very low | 26.4 | Very low | 157 Ų | 157 | 151.1 Ų | 151.1 | 84% | 0.84 | 76% | 0.759 | S | S | * | * | trans | -72.2 | 105.6 | 165.9 | -91.7 | -13.4 | 0 | 0 | 0 | 108.6 | ||||
| 416 | T | 26 | Very low | 26.5 | Very low | 111 Ų | 111 | 147.7 Ų | 147.7 | 68% | 0.681 | 76% | 0.756 | S | S | * | * | trans | -99.6 | 116.7 | 163.8 | 49.5 | 0 | 0 | 0 | 0 | 109.2 | I414 V418 | I414-T416 HydrophobicContact CG2-CG2 4.17Å; I414-T416 PolarHBondContact O-N 2.95Å; T416-V418 PolarHBondContact O-N 2.98Å | ||
| 417 | D | 23.2 | Very low | 26.8 | Very low | 161 Ų | 161 | 145.5 Ų | 145.5 | 86% | 0.861 | 75% | 0.751 | S | S | * | * | trans | -57.5 | 120.7 | 170.5 | -68.2 | -60.7 | 0 | 0 | 0 | 110.6 | A419 | D417-A419 PolarHBondContact O-N 3.26Š| ||
| 418 | V | 26.7 | Very low | 26.6 | Very low | 132 Ų | 132 | 146 Ų | 146 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | trans | -92.7 | 87.6 | 168.4 | -177.1 | 0 | 0 | 0 | 0 | 108.1 | T416 | T416-V418 PolarHBondContact O-N 2.98Š| ||
| 419 | A | 23.8 | Very low | 26.8 | Very low | 78 Ų | 78 | 143.7 Ų | 143.7 | 65% | 0.645 | 75% | 0.75 | S | S | * | * | trans | -73.5 | 160.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | D417 | D417-A419 PolarHBondContact O-N 3.26Š| ||
| 420 | S | 24.6 | Very low | 26.8 | Very low | 101 Ų | 101 | 143.1 Ų | 143.1 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | trans | 74.7 | 93.9 | 170.6 | 72.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 421 | Y | 26.2 | Very low | 26.9 | Very low | 234 Ų | 234 | 139 Ų | 139 | 92% | 0.918 | 75% | 0.752 | S | S | * | * | trans | -112 | 123.4 | 139.7 | -90.5 | -83.9 | 0 | 0 | 0 | 109.4 | ||||
| 422 | N | 26.4 | Very low | 27 | Very low | 150 Ų | 150 | 135.8 Ų | 135.8 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | trans | -75.7 | 130.4 | -175 | -82.6 | -49.4 | 0 | 0 | 0 | 112.1 | K424 | N422-K424 PolarHBondContact O-N 3.31Š| ||
| 423 | Y | 27.6 | Very low | 27 | Very low | 138 Ų | 138 | 134.4 Ų | 134.4 | 54% | 0.541 | 74% | 0.739 | S | S | . | * | trans | -63.6 | 118.7 | 172.1 | -162.9 | -93.1 | 0 | 0 | 0 | 110.7 | F115 P132 | F115-Y423 VanDerWaalsContact CD1-OH 3.22Å; F115-Y423 WeakPolarHBondContact CD1-OH 3.46Å; F115-Y423 WeakPolarHBondContact CE1-OH 3.45Å; P132-Y423 HydrophobicContact CB-CE2 3.94Å; P132-Y423 WeakPolarHBondContact CB-OH 3.39Å; P132-Y423 HydrophobicContact CG-CE2 4.42Å; P132-Y423 PolarHBondContact O-OH 3.01Å | ||
| 424 | K | 27.4 | Very low | 27.1 | Very low | 192 Ų | 192 | 130.7 Ų | 130.7 | 84% | 0.835 | 73% | 0.733 | S | S | * | * | trans | -117.2 | 111.6 | 170.4 | -84.7 | -173.2 | 174.7 | -178.9 | 0 | 110 | N422 A426 | N422-K424 PolarHBondContact O-N 3.31Å; K424-A426 PolarHBondContact O-N 3.06Å | ||
| 425 | P | 30.1 | Very low | 26.9 | Very low | 75 Ų | 75 | 132.2 Ų | 132.2 | 49% | 0.487 | 74% | 0.738 | S | S | . | * | trans | -70.3 | 122 | 166.7 | 29 | -31.4 | 0 | 0 | 0 | 109.3 | F427 | P425-F427 HydrophobicContact CB-CE2 4.28Å; P425-F427 HydrophobicContact CG-CE2 4.09Å; P425-F427 PolarHBondContact O-N 3.45Å | ||
| 426 | A | 29.2 | Very low | 27 | Very low | 78 Ų | 78 | 133.5 Ų | 133.5 | 65% | 0.645 | 74% | 0.736 | S | S | * | * | trans | -81.1 | 109.2 | 171 | 0 | 0 | 0 | 0 | 0 | 109.3 | K424 | K424-A426 PolarHBondContact O-N 3.06Š| ||
| 427 | F | 32.1 | Very low | 27 | Very low | 170 Ų | 170 | 134.3 Ų | 134.3 | 75% | 0.746 | 74% | 0.74 | S | S | * | * | trans | -82.7 | 120 | 170.1 | -76.6 | -91.2 | 0 | 0 | 0 | 109.6 | P425 G429 | P425-F427 HydrophobicContact CB-CE2 4.28Å; P425-F427 HydrophobicContact CG-CE2 4.09Å; P425-F427 PolarHBondContact O-N 3.45Å; F427-G429 PolarHBondContact O-N 3.25Å | ||
| 428 | C | 27.8 | Very low | 27.2 | Very low | 115 Ų | 115 | 136.8 Ų | 136.8 | 78% | 0.777 | 74% | 0.744 | S | S | * | * | trans | -82 | 97.7 | 168.7 | -117.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 429 | G | 29.2 | Very low | 27.2 | Very low | 55 Ų | 55 | 139.6 Ų | 139.6 | 57% | 0.567 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 157.2 | 121.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | F427 | F427-G429 PolarHBondContact O-N 3.25Š|
| 430 | T | 30.4 | Very low | 27.4 | Very low | 128 Ų | 128 | 146.8 Ų | 146.8 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | trans | 69.2 | 130.3 | 172.6 | 65.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 431 | P | 26.6 | Very low | 27.5 | Very low | 134 Ų | 134 | 152.9 Ų | 152.9 | 87% | 0.87 | 76% | 0.763 | S | S | * | * | trans | -84.2 | 130.4 | 173.3 | 33.5 | -31.5 | 0 | 0 | 0 | 110.7 | ||||
| 432 | I | 29.2 | Very low | 27.5 | Very low | 141 Ų | 141 | 147.7 Ų | 147.7 | 72% | 0.723 | 76% | 0.756 | S | S | * | * | trans | -116.5 | 125.2 | 169.3 | -63 | 178.9 | 0 | 0 | 0 | 108.1 | ||||
| 433 | D | 24.6 | Very low | 27.5 | Very low | 144 Ų | 144 | 147 Ų | 147 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | -69.5 | 129.4 | 176.1 | -175.3 | 6 | 0 | 0 | 0 | 110.3 | ||||
| 434 | V | 27.8 | Very low | 27.5 | Very low | 124 Ų | 124 | 144.8 Ų | 144.8 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | trans | -123.9 | 66.2 | -176.6 | -165.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 435 | Q | 23.2 | Very low | 27.6 | Very low | 158 Ų | 158 | 143.9 Ų | 143.9 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | trans | -82.2 | 138.2 | 147.9 | -74.4 | -158 | 5.3 | 0 | 0 | 110.6 | ||||
| 436 | K | 25.4 | Very low | 27.4 | Very low | 185 Ų | 185 | 147.2 Ų | 147.2 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | 72.3 | 101.5 | 177.3 | -51.2 | 165.4 | -175.3 | 167.3 | 0 | 114.6 | ||||
| 437 | V | 25.9 | Very low | 27.3 | Very low | 128 Ų | 128 | 151.8 Ų | 151.8 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | -176.5 | 110.5 | 108.3 | 152.3 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 438 | F | 26.9 | Very low | 26.9 | Very low | 212 Ų | 212 | 151.7 Ų | 151.7 | 93% | 0.93 | 79% | 0.787 | S | S | * | * | trans | -166.6 | 124.3 | 145.9 | -105.4 | -69 | 0 | 0 | 0 | 108.4 | ||||
| 439 | K | 27 | Very low | 26.9 | Very low | 192 Ų | 192 | 154.9 Ų | 154.9 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | -151.3 | 123 | -179.2 | -158.8 | 176.8 | -173.3 | 176.6 | 0 | 110.1 | ||||
| 440 | R | 28 | Very low | 26.7 | Very low | 229 Ų | 229 | 159.5 Ų | 159.5 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | 72.1 | 141.4 | -178.7 | -55.6 | 173.5 | 166.8 | 173.7 | -5.9 | 113.8 | ||||
| 441 | R | 26.6 | Very low | 26.6 | Very low | 229 Ų | 229 | 159.9 Ų | 159.9 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | cis | -128.5 | 139.7 | 9.1 | -72.7 | 175.2 | 163.5 | 154.3 | -7.3 | 108.7 | ||||
| 442 | T | 26.7 | Very low | 26.7 | Very low | 124 Ų | 124 | 160.7 Ų | 160.7 | 76% | 0.761 | 80% | 0.8 | S | S | * | * | 50.1 | 131.6 | 70.6 | 60.6 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 443 | V | 26.1 | Very low | 26.5 | Very low | 135 Ų | 135 | 160.9 Ų | 160.9 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | cis | -166.5 | 166.7 | 1.7 | 117.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 444 | S | 26.9 | Very low | 26.5 | Very low | 92 Ų | 92 | 165.2 Ų | 165.2 | 64% | 0.643 | 81% | 0.808 | S | S | * | * | trans | 75.4 | 140.4 | 176.7 | -130.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 445 | E | 29.8 | Very low | 26.6 | Very low | 174 Ų | 174 | 165.8 Ų | 165.8 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | cis | -143 | 172.9 | 20.3 | -152.8 | 138.8 | -91.6 | 0 | 0 | 113.7 | ||||
| 446 | N | 25.4 | Very low | 26.8 | Very low | 145 Ų | 145 | 166 Ų | 166 | 78% | 0.775 | 82% | 0.817 | S | S | * | * | trans | -75.8 | 152.6 | -164.7 | -58.9 | -66 | 0 | 0 | 0 | 115.7 | ||||
| 447 | I | 28.1 | Very low | 26.7 | Very low | 174 Ų | 174 | 167.1 Ų | 167.1 | 89% | 0.892 | 82% | 0.822 | S | S | * | * | -162.1 | 140.8 | 115.3 | -94.1 | 150.4 | 0 | 0 | 0 | 108.6 | |||||
| 448 | H | 24.2 | Very low | 26.6 | Very low | 167 Ų | 167 | 164 Ų | 164 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | trans | -125.6 | 122.3 | -174.6 | -171.5 | 30.2 | 0 | 0 | 0 | 108.9 | ||||
| 449 | M | 28.2 | Very low | 26.6 | Very low | 182 Ų | 182 | 164.4 Ų | 164.4 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | trans | -152.8 | 123.4 | 157.2 | -150 | 170.2 | 178.3 | 0 | 0 | 110.6 | ||||
| 450 | Q | 24.8 | Very low | 26.5 | Very low | 152 Ų | 152 | 165.5 Ų | 165.5 | 71% | 0.71 | 82% | 0.815 | S | S | * | * | trans | -93.3 | 173.2 | 164.1 | -74.3 | -178 | -62.5 | 0 | 0 | 109.7 | ||||
| 451 | D | 27 | Very low | 26.3 | Very low | 137 Ų | 137 | 160.3 Ų | 160.3 | 73% | 0.733 | 81% | 0.805 | S | S | * | * | trans | 71.2 | 100.6 | 173.6 | -64.5 | -26.7 | 0 | 0 | 0 | 118.2 | ||||
| 452 | T | 28.8 | Very low | 26.2 | Very low | 151 Ų | 151 | 157.2 Ų | 157.2 | 93% | 0.926 | 80% | 0.8 | S | S | * | * | -149.9 | 139.6 | 113.3 | -1.5 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 453 | N | 25.3 | Very low | 26.2 | Very low | 144 Ų | 144 | 158.1 Ų | 158.1 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | trans | -107.1 | 160.5 | -174.8 | -108 | -62.7 | 0 | 0 | 0 | 111.4 | ||||
| 454 | R | 25.3 | Very low | 26.1 | Very low | 235 Ų | 235 | 161.3 Ų | 161.3 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | trans | 77 | 158.9 | 163.3 | -71.1 | 176.5 | 165.7 | 172.3 | -4.4 | 119.3 | ||||
| 455 | V | 29.1 | Very low | 25.9 | Very low | 136 Ų | 136 | 164.2 Ų | 164.2 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | trans | 75.4 | 115.7 | 177.9 | -169.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 456 | L | 28 | Very low | 25.5 | Very low | 164 Ų | 164 | 162.2 Ų | 162.2 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | cis | -147.8 | 144 | -1 | -116.3 | 162.5 | 0 | 0 | 0 | 109 | ||||
| 457 | K | 22.5 | Very low | 25.5 | Very low | 208 Ų | 208 | 161.8 Ų | 161.8 | 90% | 0.904 | 80% | 0.801 | S | S | * | * | trans | -115.9 | 129 | 172.4 | -141.8 | -175.2 | -169.1 | -177.7 | 0 | 107.9 | ||||
| 458 | G | 25 | Very low | 25.2 | Very low | 61 Ų | 61 | 160.6 Ų | 160.6 | 63% | 0.629 | 80% | 0.796 | S | S | * | * | trans | 113.7 | 103 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 459 | F | 26.7 | Very low | 25.1 | Very low | 221 Ų | 221 | 159 Ų | 159 | 97% | 0.969 | 79% | 0.792 | S | S | * | * | -143.3 | 137.1 | 120.8 | -107 | -78.1 | 0 | 0 | 0 | 108.1 | |||||
| 460 | R | 23.4 | Very low | 24.9 | Very low | 215 Ų | 215 | 157.2 Ų | 157.2 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | trans | -130.7 | 160.9 | 174.4 | -150 | -164.6 | -168.4 | -168.3 | 3.9 | 106.7 | ||||
| 461 | D | 25.1 | Very low | 25 | Very low | 120 Ų | 120 | 158.1 Ų | 158.1 | 64% | 0.642 | 79% | 0.791 | S | S | * | * | trans | 87.8 | 116.1 | 159.2 | -52.6 | -33 | 0 | 0 | 0 | 119.3 | ||||
| 462 | E | 24.3 | Very low | 24.8 | Very low | 165 Ų | 165 | 158.8 Ų | 158.8 | 77% | 0.771 | 79% | 0.793 | S | S | * | * | trans | 71.6 | 140.4 | 133.8 | -63.7 | -166.6 | 155.8 | 0 | 0 | 124.9 | ||||
| 463 | N | 26.8 | Very low | 24.8 | Very low | 142 Ų | 142 | 157.4 Ų | 157.4 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | trans | 93 | 150.8 | 161.3 | -57.7 | -66.6 | 0 | 0 | 0 | 117.8 | ||||
| 464 | R | 22.7 | Very low | 24.7 | Very low | 202 Ų | 202 | 157.6 Ų | 157.6 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | cis | 172.2 | 146.3 | -33.7 | -143.2 | 177.8 | -175.9 | -160.4 | 5.1 | 104.1 | ||||
| 465 | F | 23.3 | Very low | 24.8 | Very low | 154 Ų | 154 | 153.6 Ų | 153.6 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | trans | 74.3 | 130 | 165.1 | -75.1 | -73.7 | 0 | 0 | 0 | 121.7 | ||||
| 466 | D | 21.6 | Very low | 24.7 | Very low | 131 Ų | 131 | 151.8 Ų | 151.8 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | trans | 46.1 | 129.3 | 141.2 | -58.4 | -11.2 | 0 | 0 | 0 | 123.6 | ||||
| 467 | C | 26.3 | Very low | 24.5 | Very low | 137 Ų | 137 | 152.9 Ų | 152.9 | 93% | 0.926 | 78% | 0.776 | S | S | * | * | -146.4 | 132.1 | 116.2 | -96.1 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 468 | L | 21.1 | Very low | 24.8 | Very low | 149 Ų | 149 | 147.7 Ų | 147.7 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | trans | -101.5 | 148.7 | 168.5 | -100.6 | 157.3 | 0 | 0 | 0 | 109 | ||||
| 469 | N | 22.2 | Very low | 24.8 | Very low | 132 Ų | 132 | 154 Ų | 154 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | 72.5 | 158.5 | 157.8 | -68.6 | -3.4 | 0 | 0 | 0 | 121.4 | ||||
| 470 | D | 23.6 | Very low | 24.5 | Very low | 145 Ų | 145 | 149.2 Ų | 149.2 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | trans | 72.3 | 143.8 | 169.4 | -54.3 | -28 | 0 | 0 | 0 | 116.2 | ||||
| 471 | E | 27.7 | Very low | 24.6 | Very low | 171 Ų | 171 | 147.9 Ų | 147.9 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | cis | -126.5 | 152 | 26.1 | -64.2 | 175.2 | 124.3 | 0 | 0 | 116.5 | ||||
| 472 | I | 22.3 | Very low | 24.5 | Very low | 151 Ų | 151 | 150 Ų | 150 | 77% | 0.774 | 78% | 0.779 | S | S | * | * | trans | -89.7 | 125.5 | 153.5 | -66.5 | 167 | 0 | 0 | 0 | 107.7 | ||||
| 473 | T | 29.1 | Very low | 24.3 | Very low | 122 Ų | 122 | 150.7 Ų | 150.7 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | -136.8 | 119.3 | 158.9 | 36.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 474 | N | 22.1 | Very low | 24 | Very low | 148 Ų | 148 | 149.5 Ų | 149.5 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -97.9 | 142 | 169 | -92.2 | -30.7 | 0 | 0 | 0 | 109.4 | ||||
| 475 | N | 27.8 | Very low | 23.9 | Very low | 151 Ų | 151 | 149.7 Ų | 149.7 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | trans | -175.5 | 113.4 | 143 | -98.8 | -15.8 | 0 | 0 | 0 | 108.4 | ||||
| 476 | S | 27.6 | Very low | 23.8 | Very low | 99 Ų | 99 | 149 Ų | 149 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | 81.6 | 134.1 | 97.5 | 74.1 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 477 | Q | 24.1 | Very low | 23.8 | Very low | 187 Ų | 187 | 148.8 Ų | 148.8 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | cis | -157.6 | -176.1 | -7.1 | -121 | -150.3 | -33.1 | 0 | 0 | 108.1 | ||||
| 478 | P | 28.7 | Very low | 23.5 | Very low | 98 Ų | 98 | 151.2 Ų | 151.2 | 64% | 0.636 | 80% | 0.797 | S | S | * | * | trans | -99.7 | 164.6 | -153.7 | 39.9 | -38 | 0 | 0 | 0 | 115.8 | ||||
| 479 | E | 24.2 | Very low | 23.5 | Very low | 194 Ų | 194 | 152.7 Ų | 152.7 | 91% | 0.907 | 80% | 0.8 | S | S | * | * | trans | -131.2 | 148.4 | 147.7 | -76.7 | -163.9 | 153.8 | 0 | 0 | 111.3 | ||||
| 480 | T | 21.2 | Very low | 23.6 | Very low | 120 Ų | 120 | 152.9 Ų | 152.9 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | trans | -118 | 136.8 | -175.4 | 44.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 481 | H | 25.6 | Very low | 23.5 | Very low | 188 Ų | 188 | 150.6 Ų | 150.6 | 87% | 0.87 | 80% | 0.801 | S | S | * | * | trans | -142.4 | 155.5 | 155.2 | -92.3 | -66.5 | 0 | 0 | 0 | 112.8 | ||||
| 482 | L | 21.8 | Very low | 23.4 | Very low | 164 Ų | 164 | 148.4 Ų | 148.4 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | trans | -74.5 | 162.9 | -156 | -103.7 | 64.8 | 0 | 0 | 0 | 116.6 | ||||
| 483 | F | 20.1 | Very low | 23.6 | Very low | 180 Ų | 180 | 146.6 Ų | 146.6 | 79% | 0.789 | 80% | 0.797 | S | S | * | * | trans | -50.5 | 145.3 | 158.5 | -79.3 | -101.7 | 0 | 0 | 0 | 113.8 | Y485 | F483-Y485 HydrophobicContact CD1-CD2 4.47Å; F483-Y485 HydrophobicContact CD1-CE2 4.23Å; F483-Y485 HydrophobicContact CE1-CE2 4.3Å | ||
| 484 | S | 20.8 | Very low | 23.4 | Very low | 117 Ų | 117 | 148.2 Ų | 148.2 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | -154.2 | 145.5 | 126.2 | 55.3 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 485 | Y | 20.7 | Very low | 23.6 | Very low | 205 Ų | 205 | 148.6 Ų | 148.6 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -95 | 135.4 | 174.9 | -87.1 | -101.4 | 0 | 0 | 0 | 109.9 | F483 | F483-Y485 HydrophobicContact CD1-CD2 4.47Å; F483-Y485 HydrophobicContact CD1-CE2 4.23Å; F483-Y485 HydrophobicContact CE1-CE2 4.3Å | ||
| 486 | T | 21.2 | Very low | 23.5 | Very low | 141 Ų | 141 | 148.8 Ų | 148.8 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | trans | -150.2 | 139.8 | 143.4 | -21.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 487 | T | 21.2 | Very low | 23.6 | Very low | 125 Ų | 125 | 151.3 Ų | 151.3 | 77% | 0.767 | 80% | 0.803 | S | S | * | * | trans | -83 | 134.5 | 174.3 | 46.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 488 | M | 21.2 | Very low | 23.9 | Very low | 189 Ų | 189 | 152.1 Ų | 152.1 | 93% | 0.931 | 80% | 0.803 | S | S | * | * | trans | -171 | 158.6 | 131.9 | -111.1 | 176.7 | 165.3 | 0 | 0 | 112.1 | ||||
| 489 | E | 20.4 | Very low | 23.9 | Very low | 180 Ų | 180 | 154.1 Ų | 154.1 | 84% | 0.841 | 81% | 0.809 | S | S | * | * | trans | -75.2 | 166.9 | -177 | -56.9 | 169.4 | 121.6 | 0 | 0 | 112.8 | ||||
| 490 | V | 23.8 | Very low | 24.3 | Very low | 136 Ų | 136 | 152.4 Ų | 152.4 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | 172.5 | 134.3 | 117.1 | 154.7 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 491 | S | 21.3 | Very low | 24.7 | Very low | 97 Ų | 97 | 153.6 Ų | 153.6 | 68% | 0.678 | 81% | 0.808 | S | S | * | * | trans | -71.1 | 141.4 | 173.2 | -57 | 0 | 0 | 0 | 0 | 111.8 | V493 | S491-V493 PolarHBondContact O-N 3.01Š| ||
| 492 | P | 26.7 | Very low | 25 | Very low | 125 Ų | 125 | 149.4 Ų | 149.4 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | trans | -74.5 | 99.4 | 172.2 | 30.2 | -32.5 | 0 | 0 | 0 | 110.4 | I494 | P492-I494 PolarHBondContact O-N 2.94Š| ||
| 493 | V | 25.7 | Very low | 25.3 | Very low | 113 Ų | 113 | 148.5 Ų | 148.5 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | trans | -68.7 | 123.5 | 159.6 | 176.6 | 0 | 0 | 0 | 0 | 107.6 | S491 H495 | S491-V493 PolarHBondContact O-N 3.01Å; V493-H495 PolarHBondContact O-N 3.41Å; V493-H495 VanDerWaalsContact O-N 3.16Å | ||
| 494 | I | 25.4 | Very low | 25.6 | Very low | 156 Ų | 156 | 146.8 Ų | 146.8 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | trans | -74.4 | 105 | 171.1 | -60.9 | 174.4 | 0 | 0 | 0 | 107.4 | P492 | P492-I494 PolarHBondContact O-N 2.94Š| ||
| 495 | H | 27 | Very low | 26 | Very low | 155 Ų | 155 | 146.6 Ų | 146.6 | 72% | 0.718 | 79% | 0.789 | S | S | * | * | trans | -111 | 119 | 165.4 | -106.4 | -70.8 | 0 | 0 | 0 | 109.2 | V493 N497 | V493-H495 PolarHBondContact O-N 3.41Å; V493-H495 VanDerWaalsContact O-N 3.16Å; H495-N497 PolarHBondContact O-N 3.14Å | ||
| 496 | D | 25.6 | Very low | 26.2 | Very low | 156 Ų | 156 | 147.7 Ų | 147.7 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | -64 | 112 | 166 | -80 | -45.4 | 0 | 0 | 0 | 109.3 | ||||
| 497 | N | 28.7 | Very low | 26.3 | Very low | 151 Ų | 151 | 148.2 Ų | 148.2 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | trans | -102.1 | 109.9 | 166.4 | -95.2 | -9.4 | 0 | 0 | 0 | 109.5 | H495 | H495-N497 PolarHBondContact O-N 3.14Š| ||
| 498 | K | 30.2 | Very low | 26.4 | Very low | 204 Ų | 204 | 150.2 Ų | 150.2 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | trans | -83.5 | 131.7 | 150.6 | -80.9 | -175.1 | 174.2 | -179.3 | 0 | 108.3 | ||||
| 499 | N | 28.8 | Very low | 26.4 | Very low | 141 Ų | 141 | 145.1 Ų | 145.1 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | trans | -59.5 | 143.3 | 167.1 | -61.6 | -26.8 | 0 | 0 | 0 | 109.9 | ||||
| 500 | D | 32.6 | Very low | 26.6 | Very low | 157 Ų | 157 | 145.4 Ų | 145.4 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | -168.1 | 170.1 | 105.5 | -94.9 | -26.1 | 0 | 0 | 0 | 112.3 | |||||
| 501 | N | 30.3 | Very low | 26.6 | Very low | 145 Ų | 145 | 146.9 Ų | 146.9 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | trans | -90.6 | 160.2 | -152.8 | -74.6 | -64.2 | 0 | 0 | 0 | 117 | ||||
| 502 | S | 30.9 | Very low | 26.6 | Very low | 100 Ų | 100 | 148.1 Ų | 148.1 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | 75.5 | 119.1 | 140.3 | 60.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 503 | N | 29.2 | Very low | 26.5 | Very low | 145 Ų | 145 | 149.9 Ų | 149.9 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | 65 | 104.7 | 129.7 | -63.4 | 10.4 | 0 | 0 | 0 | 121.7 | |||||
| 504 | D | 26.2 | Very low | 26.4 | Very low | 145 Ų | 145 | 150 Ų | 150 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | 75.8 | 142.3 | 121.4 | -93.9 | -35.4 | 0 | 0 | 0 | 124 | |||||
| 505 | T | 28 | Very low | 26.4 | Very low | 113 Ų | 113 | 146 Ų | 146 | 69% | 0.693 | 78% | 0.782 | S | S | * | * | trans | 75.4 | 104.4 | 159.6 | 51.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 506 | R | 26 | Very low | 26.3 | Very low | 228 Ų | 228 | 146 Ų | 146 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | 64.9 | 118.5 | 128.9 | -63.3 | -179.6 | -178.3 | 173.3 | 2.1 | 120.8 | |||||
| 507 | N | 22.2 | Very low | 26.4 | Very low | 151 Ų | 151 | 145.6 Ų | 145.6 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | trans | 19.8 | 123.9 | 138.9 | -60.5 | -4.6 | 0 | 0 | 0 | 119.4 | ||||
| 508 | I | 25 | Very low | 26.3 | Very low | 168 Ų | 168 | 145.9 Ų | 145.9 | 86% | 0.862 | 79% | 0.785 | S | S | * | * | -172.8 | 147.3 | 105.9 | -92.7 | 153.3 | 0 | 0 | 0 | 109.6 | |||||
| 509 | S | 20.3 | Very low | 26.2 | Very low | 81 Ų | 81 | 141.9 Ų | 141.9 | 57% | 0.566 | 77% | 0.773 | S | S | * | * | trans | -82.3 | 151 | 174.1 | 52.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 510 | F | 23.6 | Very low | 26.2 | Very low | 186 Ų | 186 | 142.4 Ų | 142.4 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | -179.9 | 172.2 | 117.1 | -104.5 | -74.7 | 0 | 0 | 0 | 113.8 | |||||
| 511 | Q | 24.4 | Very low | 26 | Very low | 167 Ų | 167 | 141.1 Ų | 141.1 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | trans | -58.7 | 163.9 | -161.2 | -74.9 | 160.5 | -57.3 | 0 | 0 | 120.2 | ||||
| 512 | T | 21.8 | Very low | 26 | Very low | 124 Ų | 124 | 139 Ų | 139 | 76% | 0.761 | 77% | 0.768 | S | S | * | * | trans | -52.9 | 149.2 | 167.3 | 51.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 513 | N | 24.5 | Very low | 25.8 | Very low | 162 Ų | 162 | 141.5 Ų | 141.5 | 87% | 0.866 | 77% | 0.773 | S | S | * | * | -156.2 | 169.3 | 120.5 | -126.4 | -15 | 0 | 0 | 0 | 114.1 | |||||
| 514 | S | 23.8 | Very low | 25.7 | Very low | 116 Ų | 116 | 139.7 Ų | 139.7 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | trans | -97.4 | 167.5 | -160.7 | 54.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 515 | G | 24.6 | Very low | 25.8 | Very low | 72 Ų | 72 | 139.3 Ų | 139.3 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | trans | -170.5 | 81.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 516 | N | 26.1 | Very low | 25.7 | Very low | 154 Ų | 154 | 139.2 Ų | 139.2 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | trans | 24.2 | 128.5 | 153.3 | -64.6 | -19.1 | 0 | 0 | 0 | 123.1 | ||||
| 517 | V | 27.9 | Very low | 25.7 | Very low | 148 Ų | 148 | 134.5 Ų | 134.5 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | trans | -135.4 | 143.9 | 136.1 | 179 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 518 | K | 26.9 | Very low | 26 | Very low | 157 Ų | 157 | 133.7 Ų | 133.7 | 68% | 0.683 | 76% | 0.762 | S | S | * | * | trans | -149.5 | 157.9 | -177.7 | -85.6 | -170.9 | 132 | -99 | 0 | 108.6 | ||||
| 519 | D | 27.2 | Very low | 26 | Very low | 120 Ų | 120 | 133.9 Ų | 133.9 | 64% | 0.642 | 76% | 0.757 | S | S | * | * | cis | -144.3 | -144.2 | 1.8 | -101 | -37.8 | 0 | 0 | 0 | 108.7 | ||||
| 520 | I | 29.8 | Very low | 26.2 | Very low | 152 Ų | 152 | 139.1 Ų | 139.1 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | 88.9 | 85.1 | 169.5 | -53 | 169.3 | 0 | 0 | 0 | 113.1 | ||||
| 521 | V | 28.1 | Very low | 26.4 | Very low | 129 Ų | 129 | 136 Ų | 136 | 78% | 0.782 | 77% | 0.768 | S | S | * | * | 70.2 | 120.5 | 74.4 | 178 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 522 | S | 29.2 | Very low | 26.5 | Very low | 100 Ų | 100 | 134.7 Ų | 134.7 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | cis | -153.3 | 149.9 | 48.8 | 50.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 523 | N | 26.7 | Very low | 26.5 | Very low | 153 Ų | 153 | 135.6 Ų | 135.6 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | 31.7 | 138.4 | 142.1 | -54.1 | -9.1 | 0 | 0 | 0 | 120.8 | ||||
| 524 | S | 28.3 | Very low | 26.6 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | cis | -165.3 | 165.6 | 47.7 | 61.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 525 | V | 28.1 | Very low | 26.8 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 83% | 0.83 | 77% | 0.765 | S | S | * | * | trans | 80 | 109.2 | 160.8 | -169.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 526 | T | 25.8 | Very low | 26.6 | Very low | 112 Ų | 112 | 141.7 Ų | 141.7 | 69% | 0.687 | 77% | 0.769 | S | S | * | * | trans | -75.2 | 169.8 | 163.8 | 58.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 527 | D | 26.6 | Very low | 26.7 | Very low | 128 Ų | 128 | 144.2 Ų | 144.2 | 68% | 0.684 | 77% | 0.772 | S | S | * | * | cis | -163.8 | 173.8 | 31.9 | -113.6 | -45.9 | 0 | 0 | 0 | 112.4 | ||||
| 528 | N | 28.3 | Very low | 26.5 | Very low | 135 Ų | 135 | 143 Ų | 143 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | trans | 92.1 | 100.7 | 159.6 | -62.5 | -37.5 | 0 | 0 | 0 | 122.1 | ||||
| 529 | F | 25 | Very low | 26.4 | Very low | 172 Ų | 172 | 142.4 Ų | 142.4 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | 21.2 | 132.4 | 127.3 | -65.4 | -90 | 0 | 0 | 0 | 119 | |||||
| 530 | F | 23.5 | Very low | 26.4 | Very low | 190 Ų | 190 | 142.8 Ų | 142.8 | 83% | 0.833 | 78% | 0.776 | S | S | * | * | cis | -150 | 154.1 | 36.7 | -87.1 | -99.8 | 0 | 0 | 0 | 112.5 | ||||
| 531 | P | 27.4 | Very low | 26.2 | Very low | 121 Ų | 121 | 144.2 Ų | 144.2 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | trans | -143.4 | 135.8 | 149.2 | 36.7 | -20.8 | 0 | 0 | 0 | 115.2 | ||||
| 532 | T | 26.7 | Very low | 26.2 | Very low | 139 Ų | 139 | 144.6 Ų | 144.6 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | -151.3 | 127.1 | 156.6 | 40.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 533 | N | 22.8 | Very low | 26.1 | Very low | 144 Ų | 144 | 146.8 Ų | 146.8 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | -65.7 | 159.9 | 156 | -65.7 | -46.7 | 0 | 0 | 0 | 110.2 | ||||
| 534 | F | 26.2 | Very low | 26.1 | Very low | 183 Ų | 183 | 142.6 Ų | 142.6 | 80% | 0.803 | 77% | 0.77 | S | S | * | * | 169.2 | 121.7 | 113 | -104.9 | -95.6 | 0 | 0 | 0 | 113.7 | |||||
| 535 | I | 27.5 | Very low | 26.1 | Very low | 143 Ų | 143 | 142.1 Ų | 142.1 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | trans | 44.6 | 129.4 | 135.1 | -57.4 | -172.8 | 0 | 0 | 0 | 122 | ||||
| 536 | N | 21.5 | Very low | 26.1 | Very low | 152 Ų | 152 | 143.6 Ų | 143.6 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | -42.1 | 136 | 163.6 | -66.5 | -30.1 | 0 | 0 | 0 | 116.7 | ||||
| 537 | K | 27 | Very low | 26.2 | Very low | 207 Ų | 207 | 146.1 Ų | 146.1 | 90% | 0.9 | 78% | 0.779 | S | S | * | * | -165.1 | 140.8 | 115.2 | -108.5 | 170.8 | -177.2 | 178.6 | 0 | 112.7 | |||||
| 538 | T | 23.8 | Very low | 26.3 | Very low | 121 Ų | 121 | 149.4 Ų | 149.4 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | trans | -80.1 | 137.3 | 179.5 | 46 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 539 | N | 25.1 | Very low | 26.1 | Very low | 145 Ų | 145 | 149.3 Ų | 149.3 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | 179.2 | 135.2 | 117.5 | -95.3 | -13.3 | 0 | 0 | 0 | 114.8 | |||||
| 540 | V | 26.2 | Very low | 26.2 | Very low | 128 Ų | 128 | 148.9 Ų | 148.9 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | 65.7 | 107.4 | 148.3 | -178.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 541 | K | 26.1 | Very low | 26.3 | Very low | 182 Ų | 182 | 147.6 Ų | 147.6 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | 59.6 | 135.3 | 82.6 | -110.1 | -171.9 | 178.7 | -174.9 | 0 | 113.2 | |||||
| 542 | L | 27.8 | Very low | 26.1 | Very low | 137 Ų | 137 | 148.5 Ų | 148.5 | 72% | 0.717 | 80% | 0.798 | S | S | * | * | cis | -134.4 | -175.6 | 7.6 | -64.1 | 144 | 0 | 0 | 0 | 107.9 | ||||
| 543 | D | 27.7 | Very low | 26 | Very low | 146 Ų | 146 | 148 Ų | 148 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | cis | -149.5 | -167.8 | -2.4 | -149.9 | -80.4 | 0 | 0 | 0 | 109 | ||||
| 544 | G | 27.2 | Very low | 26.1 | Very low | 65 Ų | 65 | 145 Ų | 145 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | trans | 152.7 | 41.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 545 | S | 29 | Very low | 26.1 | Very low | 97 Ų | 97 | 143.6 Ų | 143.6 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | trans | 28.3 | 115.1 | 162.8 | 66.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 546 | N | 27.4 | Very low | 26 | Very low | 169 Ų | 169 | 142.2 Ų | 142.2 | 90% | 0.904 | 78% | 0.78 | S | S | * | * | -151.6 | 133.7 | 121.7 | -102.6 | -21.7 | 0 | 0 | 0 | 109.9 | |||||
| 547 | N | 27.4 | Very low | 26.2 | Very low | 164 Ų | 164 | 140.4 Ų | 140.4 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | trans | -89.3 | 115.3 | -174.8 | -78.7 | -26.9 | 0 | 0 | 0 | 111.3 | ||||
| 548 | E | 28.3 | Very low | 26.1 | Very low | 197 Ų | 197 | 137.5 Ų | 137.5 | 92% | 0.921 | 77% | 0.765 | S | S | * | * | trans | -135.9 | 105 | 145.7 | -76.8 | -163 | 153.9 | 0 | 0 | 109.9 | ||||
| 549 | T | 24.3 | Very low | 26.4 | Very low | 134 Ų | 134 | 142 Ų | 142 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | -77.2 | 127 | 162.9 | 33.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 550 | I | 27.8 | Very low | 26.5 | Very low | 162 Ų | 162 | 141 Ų | 141 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | trans | -164.5 | 126.5 | 133.3 | -96.7 | 146 | 0 | 0 | 0 | 110.5 | ||||
| 551 | Q | 25.1 | Very low | 26.4 | Very low | 163 Ų | 163 | 143 Ų | 143 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | trans | 26 | 111.8 | 162.1 | -66 | -178 | -33.3 | 0 | 0 | 121.2 | ||||
| 552 | V | 22.4 | Very low | 26.6 | Very low | 140 Ų | 140 | 139.4 Ų | 139.4 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | trans | -80.5 | 117.8 | 147.7 | 175.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 553 | N | 24.9 | Very low | 26.5 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 68% | 0.684 | 78% | 0.779 | S | S | * | * | trans | -102.3 | 109.1 | 162.6 | -94.8 | -8.7 | 0 | 0 | 0 | 109.4 | ||||
| 554 | A | 24.7 | Very low | 26.6 | Very low | 83 Ų | 83 | 140.9 Ų | 140.9 | 69% | 0.686 | 78% | 0.781 | S | S | * | * | trans | -89.3 | 97.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109 | T556 | A554-T556 PolarHBondContact O-N 3.29Š| ||
| 555 | H | 26.7 | Very low | 26.6 | Very low | 153 Ų | 153 | 147.1 Ų | 147.1 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | trans | -71.5 | 117.3 | 169.1 | -106.5 | -78.5 | 0 | 0 | 0 | 109.6 | D557 | H555-D557 IonicContact CE1-OD1 3.57Å; H555-D557 IonicContact CG-OD1 3.68Å; H555-D557 IonicContact ND1-OD1 3.61Å; H555-D557 PolarHBondContact ND1-OD1 2.92Å; H555-D557 IonicContact ND1-OD2 2.63Å | ||
| 556 | T | 24.7 | Very low | 26.8 | Very low | 113 Ų | 113 | 150.1 Ų | 150.1 | 69% | 0.693 | 79% | 0.794 | S | S | * | * | trans | -123 | 78.1 | 175.3 | -38.1 | 0 | 0 | 0 | 0 | 107.7 | A554 N558 | A554-T556 PolarHBondContact O-N 3.29Å; T556-N558 PolarHBondContact O-N 3.31Å | ||
| 557 | D | 27.6 | Very low | 27 | Very low | 115 Ų | 115 | 148.7 Ų | 148.7 | 62% | 0.615 | 79% | 0.786 | S | S | * | * | trans | -84.3 | 82.4 | -172.5 | -71.1 | 5.6 | 0 | 0 | 0 | 111.1 | H555 | H555-D557 IonicContact CE1-OD1 3.57Å; H555-D557 IonicContact CG-OD1 3.68Å; H555-D557 IonicContact ND1-OD1 3.61Å; H555-D557 PolarHBondContact ND1-OD1 2.92Å; H555-D557 IonicContact ND1-OD2 2.63Å | ||
| 558 | N | 24.8 | Very low | 27.1 | Very low | 145 Ų | 145 | 144.7 Ų | 144.7 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | trans | -84.7 | 100.9 | 161.2 | -86.9 | -24.1 | 0 | 0 | 0 | 109.3 | T556 | T556-N558 PolarHBondContact O-N 3.31Š| ||
| 559 | Y | 29.1 | Very low | 27.3 | Very low | 216 Ų | 216 | 141.7 Ų | 141.7 | 85% | 0.847 | 77% | 0.773 | S | S | * | * | trans | -93.4 | 95.5 | 167 | -94.6 | -78.9 | 0 | 0 | 0 | 111.2 | ||||
| 560 | T | 27.3 | Very low | 27.8 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 77% | 0.767 | 78% | 0.776 | S | S | * | * | trans | -87.9 | 145.7 | 161 | 41.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 561 | N | 24.7 | Very low | 28 | Very low | 168 Ų | 168 | 141.5 Ų | 141.5 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | trans | -57.4 | 139.3 | -179.3 | -65.2 | -48 | 0 | 0 | 0 | 113.8 | ||||
| 562 | S | 29.4 | Very low | 28.4 | Very low | 107 Ų | 107 | 141.7 Ų | 141.7 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | -136.5 | 119.3 | 149.6 | 57.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 563 | L | 25.5 | Very low | 28.7 | Very low | 162 Ų | 162 | 138.8 Ų | 138.8 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | trans | -70.4 | 135.3 | 162.5 | -75.6 | 127.5 | 0 | 0 | 0 | 108.2 | ||||
| 564 | D | 29.8 | Very low | 29 | Very low | 153 Ų | 153 | 139.6 Ų | 139.6 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -126.2 | 120.2 | 158.5 | -100.7 | -37.9 | 0 | 0 | 0 | 110.3 | ||||
| 565 | Y | 27.9 | Very low | 29.3 | Very low | 196 Ų | 196 | 141.3 Ų | 141.3 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -75.3 | 132.8 | 165.1 | -108 | -102.5 | 0 | 0 | 0 | 108.1 | ||||
| 566 | N | 32.8 | Very low | 29.6 | Very low | 160 Ų | 160 | 138.7 Ų | 138.7 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | -138.4 | 100.5 | 159.7 | -117.3 | -32.9 | 0 | 0 | 0 | 111 | G568 | N566-G568 PolarHBondContact O-N 3.42Š| ||
| 567 | N | 30.9 | Very low | 30.1 | Very low | 138 Ų | 138 | 140 Ų | 140 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | trans | -79.9 | 108.3 | 168.4 | -96.1 | -22.1 | 0 | 0 | 0 | 108.8 | ||||
| 568 | G | 30.7 | Very low | 30.5 | Very low | 80 Ų | 80 | 141.3 Ų | 141.3 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -110.1 | 79.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | N566 | N566-G568 PolarHBondContact O-N 3.42Š| ||
| 569 | I | 32 | Very low | 31 | Very low | 135 Ų | 135 | 143.3 Ų | 143.3 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | trans | -78.3 | 123.1 | 169.1 | -66.3 | 172.7 | 0 | 0 | 0 | 108.1 | ||||
| 570 | N | 34.9 | Very low | 31.5 | Very low | 165 Ų | 165 | 136.4 Ų | 136.4 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | trans | -145.3 | 129.2 | 149.2 | -123.5 | -17.2 | 0 | 0 | 0 | 110.5 | ||||
| 571 | N | 32.8 | Very low | 32 | Very low | 126 Ų | 126 | 142.2 Ų | 142.2 | 67% | 0.674 | 82% | 0.82 | S | S | * | * | trans | -82.6 | 144.9 | -174.1 | -67.5 | -42.9 | 0 | 0 | 0 | 111.6 | ||||
| 572 | N | 33 | Very low | 32.4 | Very low | 168 Ų | 168 | 141 Ų | 141 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | 150.4 | 127.2 | 123.9 | -77.1 | -28.6 | 0 | 0 | 0 | 111 | |||||
| 573 | G | 29.1 | Very low | 32.6 | Very low | 79 Ų | 79 | 142.7 Ų | 142.7 | 81% | 0.814 | 82% | 0.82 | S | S | * | * | trans | 167.8 | 44 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114 | S575 | G573-S575 PolarHBondContact O-N 3.03Š| ||
| 574 | V | 30.4 | Very low | 33 | Very low | 144 Ų | 144 | 141.7 Ų | 141.7 | 87% | 0.873 | 82% | 0.819 | S | S | * | * | trans | -75.5 | 117.6 | 172.2 | 174.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 575 | S | 31.5 | Very low | 33.1 | Very low | 120 Ų | 120 | 141 Ų | 141 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | trans | -144.9 | 132.4 | 144 | 71.8 | 0 | 0 | 0 | 0 | 110.8 | G573 | G573-S575 PolarHBondContact O-N 3.03Š| ||
| 576 | S | 32.5 | Very low | 33.5 | Very low | 97 Ų | 97 | 137.6 Ų | 137.6 | 68% | 0.678 | 82% | 0.822 | S | S | * | * | trans | -122.5 | 139.2 | 173.8 | 54.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 577 | N | 34.7 | Very low | 33.5 | Very low | 140 Ų | 140 | 136.1 Ų | 136.1 | 75% | 0.749 | 82% | 0.819 | S | S | * | * | trans | 146.4 | 117.1 | 156.3 | -74 | -12.1 | 0 | 0 | 0 | 107.7 | ||||
| 578 | I | 36.7 | Very low | 33.7 | Very low | 143 Ų | 143 | 135.9 Ų | 135.9 | 73% | 0.733 | 83% | 0.825 | S | S | * | * | 58.8 | 90.3 | 72.5 | -55 | 169 | 0 | 0 | 0 | 111.3 | |||||
| 579 | H | 35.4 | Very low | 33.9 | Very low | 187 Ų | 187 | 140.2 Ų | 140.2 | 87% | 0.866 | 83% | 0.825 | S | S | * | * | -161.3 | 150.5 | 109.3 | -113.1 | -79.4 | 0 | 0 | 0 | 109.7 | |||||
| 580 | G | 39.2 | Very low | 34.1 | Very low | 71 Ų | 71 | 140.7 Ų | 140.7 | 73% | 0.732 | 84% | 0.836 | S | S | * | * | trans | -96.6 | 162.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 581 | L | 39.1 | Very low | 34 | Very low | 248 Ų | 248 | 138.5 Ų | 138.5 | 100% | 1.298 | 83% | 0.832 | S | S | * | * | trans | -149.3 | 0 | 148.8 | -111.4 | 166.1 | 0 | 0 | 0 | 107.7 |
Retrieved 581 of 581 residues in 105.6 ms
(Link to these results)