| 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 | L | 49.2 | Very low | 65 | Low | 193 Ų | 193 | 118.7 Ų | 118.7 | 100% | 1.01 | 65% | 0.647 | S | S | * | * | 0 | -43.8 | 0 | -81.4 | 157.4 | 0 | 0 | 0 | 112.5 | S4 | L1-S4 PolarHBondContact O-N 3.4Š| |||
| 2 | I | 53.2 | Low | 66.4 | Low | 157 Ų | 157 | 115.6 Ų | 115.6 | 81% | 0.805 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67.4 | -35.5 | -180 | -61.1 | 170.2 | 0 | 0 | 0 | 113.4 | G6 | I2-G6 PolarHBondContact O-N 3.37Å |
| 3 | T | 55.6 | Low | 67.6 | Low | 124 Ų | 124 | 112 Ų | 112 | 76% | 0.761 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -73.5 | -25.4 | 179.3 | 43.7 | 0 | 0 | 0 | 0 | 114.7 | R7 | T3-R7 PolarHBondContact O-N 3.44Å |
| 4 | S | 56.5 | Low | 68.7 | Low | 82 Ų | 82 | 112.6 Ų | 112.6 | 57% | 0.573 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -73.7 | -39.7 | 177.2 | -168.9 | 0 | 0 | 0 | 0 | 111.5 | L1 A8 | L1-S4 PolarHBondContact O-N 3.4Å; S4-A8 WeakPolarHBondContact O-CB 3.26Å; S4-A8 PolarHBondContact O-N 3.41Å |
| 5 | N | 59.5 | Low | 69.7 | Low | 118 Ų | 118 | 112.5 Ų | 112.5 | 63% | 0.631 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -67.8 | -36.7 | 177.4 | -96.7 | 12.8 | 0 | 0 | 0 | 112.8 | A8 M9 | N5-A8 PolarHBondContact O-N 3.17Å; N5-M9 WeakPolarHBondContact O-CB 3.33Å; N5-M9 VanDerWaalsContact O-CG 3.31Å; N5-M9 WeakPolarHBondContact O-CG 3.43Å; N5-M9 PolarHBondContact O-N 3.45Å |
| 6 | G | 65.9 | Low | 70.7 | Confident | 38 Ų | 38 | 110.1 Ų | 110.1 | 39% | 0.392 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -63 | -45.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I2 M9 E10 | I2-G6 PolarHBondContact O-N 3.37Å; G6-M9 PolarHBondContact O-N 2.66Å; G6-E10 PolarHBondContact O-N 3.01Å |
| 7 | R | 70.7 | Confident | 71.6 | Confident | 190 Ų | 190 | 108.9 Ų | 108.9 | 72% | 0.717 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.7 | -39 | 177.6 | -159.1 | 179.2 | -146.5 | 179 | 6.1 | 112.6 | T3 E10 V11 | T3-R7 PolarHBondContact O-N 3.44Å; R7-E10 PolarHBondContact O-N 3.22Å; R7-V11 WeakPolarHBondContact O-CB 3.02Å; R7-V11 VanDerWaalsContact O-CG2 3.22Å; R7-V11 WeakPolarHBondContact O-CG2 3.45Å; R7-V11 PolarHBondContact O-N 3.44Å |
| 8 | A | 70.6 | Confident | 72.5 | Confident | 50 Ų | 50 | 107 Ų | 107 | 41% | 0.413 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.7 | -42 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S4 N5 V11 V12 | S4-A8 WeakPolarHBondContact O-CB 3.26Å; S4-A8 PolarHBondContact O-N 3.41Å; N5-A8 PolarHBondContact O-N 3.17Å; A8-V11 PolarHBondContact O-N 3.43Å; A8-V12 WeakPolarHBondContact O-CB 3.48Å; A8-V12 VanDerWaalsContact O-CG2 3.22Å; A8-V12 WeakPolarHBondContact O-CG2 3.46Å; A8-V12 PolarHBondContact O-N 3.32Å |
| 9 | M | 74.8 | Confident | 73.1 | Confident | 122 Ų | 122 | 105.8 Ų | 105.8 | 60% | 0.601 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.4 | -39.5 | 175.9 | -78.4 | -64.2 | -62.4 | 0 | 0 | 112.6 | N5 G6 V12 T13 | N5-M9 WeakPolarHBondContact O-CB 3.33Å; N5-M9 VanDerWaalsContact O-CG 3.31Å; N5-M9 WeakPolarHBondContact O-CG 3.43Å; N5-M9 PolarHBondContact O-N 3.45Å; G6-M9 PolarHBondContact O-N 2.66Å; M9-V12 PolarHBondContact O-N 2.86Å; M9-T13 WeakPolarHBondContact O-CB 3.15Å; M9-T13 PolarHBondContact O-N 3.19Å; M9-T13 PolarHBondContact O-OG1 3.42Å |
| 10 | E | 78.4 | Confident | 73.7 | Confident | 141 Ų | 141 | 103.6 Ų | 103.6 | 66% | 0.659 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.4 | -45.8 | 173.6 | -80 | 176.4 | 166.4 | 0 | 0 | 111.9 | G6 R7 V12 T13 H14 | G6-E10 PolarHBondContact O-N 3.01Å; R7-E10 PolarHBondContact O-N 3.22Å; E10-V12 VanDerWaalsContact C-N 3.35Å; E10-V12 PolarHBondContact O-N 3.2Å; E10-T13 PolarHBondContact O-N 3Å; E10-H14 WeakPolarHBondContact O-CB 3.27Å; E10-H14 PolarHBondContact O-N 2.97Å |
| 11 | V | 80.9 | Confident | 74.4 | Confident | 91 Ų | 91 | 104.8 Ų | 104.8 | 55% | 0.552 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -61.3 | -44.1 | 176.8 | 170.3 | 0 | 0 | 0 | 0 | 111 | R7 A8 H14 L15 | R7-V11 WeakPolarHBondContact O-CB 3.02Å; R7-V11 VanDerWaalsContact O-CG2 3.22Å; R7-V11 WeakPolarHBondContact O-CG2 3.45Å; R7-V11 PolarHBondContact O-N 3.44Å; A8-V11 PolarHBondContact O-N 3.43Å; V11-H14 PolarHBondContact O-N 3.3Å; V11-L15 WeakPolarHBondContact O-CB 3.34Å; V11-L15 PolarHBondContact O-N 3.3Å |
| 12 | V | 81.8 | Confident | 76.1 | Confident | 81 Ų | 81 | 101.9 Ų | 101.9 | 49% | 0.491 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -63.2 | -44.2 | 176.7 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | A8 M9 E10 H14 L15 V16 | A8-V12 WeakPolarHBondContact O-CB 3.48Å; A8-V12 VanDerWaalsContact O-CG2 3.22Å; A8-V12 WeakPolarHBondContact O-CG2 3.46Å; A8-V12 PolarHBondContact O-N 3.32Å; M9-V12 PolarHBondContact O-N 2.86Å; E10-V12 VanDerWaalsContact C-N 3.35Å; E10-V12 PolarHBondContact O-N 3.2Å; V12-H14 PolarHBondContact O-N 2.98Å; V12-L15 PolarHBondContact O-N 3.26Å; V12-V16 HydrophobicContact CG1-CG2 4.3Å; V12-V16 WeakPolarHBondContact O-CB 3.43Å; V12-V16 WeakPolarHBondContact O-CG2 2.73Å; V12-V16 PolarHBondContact O-N 2.93Å |
| 13 | T | 82.3 | Confident | 77.6 | Confident | 69 Ų | 69 | 97.9 Ų | 97.9 | 42% | 0.423 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 180 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | M9 E10 V16 N17 | M9-T13 WeakPolarHBondContact O-CB 3.15Å; M9-T13 PolarHBondContact O-N 3.19Å; M9-T13 PolarHBondContact O-OG1 3.42Å; E10-T13 PolarHBondContact O-N 3Å; T13-V16 PolarHBondContact O-N 3.33Å; T13-N17 WeakPolarHBondContact O-CB 3.3Å; T13-N17 PolarHBondContact O-N 3.2Å |
| 14 | H | 83.3 | Confident | 79.1 | Confident | 120 Ų | 120 | 98.3 Ų | 98.3 | 56% | 0.556 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.4 | -47.5 | 175.8 | -163.7 | -69.3 | 0 | 0 | 0 | 111.1 | E10 V11 V12 V16 N17 D18 | E10-H14 WeakPolarHBondContact O-CB 3.27Å; E10-H14 PolarHBondContact O-N 2.97Å; V11-H14 PolarHBondContact O-N 3.3Å; V12-H14 PolarHBondContact O-N 2.98Å; H14-V16 VanDerWaalsContact C-N 3.31Å; H14-V16 PolarHBondContact O-N 2.9Å; H14-N17 PolarHBondContact O-N 3.12Å; H14-D18 IonicContact CE1-OD1 3.33Å; H14-D18 PolarHBondContact CE1-OD1 3.5Å; H14-D18 IonicContact CE1-OD2 3.16Å; H14-D18 PolarHBondContact CE1-OD2 3.44Å; H14-D18 IonicContact ND1-OD1 3.44Å; H14-D18 PolarHBondContact ND1-OD1 3Å; H14-D18 IonicContact ND1-OD2 2.75Å; H14-D18 PolarHBondContact ND1-OD2 2.86Å; H14-D18 WeakPolarHBondContact O-CB 3.42Å; H14-D18 PolarHBondContact O-N 3.17Å |
| 15 | L | 83.4 | Confident | 80.7 | Confident | 112 Ų | 112 | 101.2 Ų | 101.2 | 59% | 0.586 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.6 | -38.2 | 178.9 | -161.2 | 108.9 | 0 | 0 | 0 | 112.2 | V11 V12 T19 | V11-L15 WeakPolarHBondContact O-CB 3.34Å; V11-L15 PolarHBondContact O-N 3.3Å; V12-L15 PolarHBondContact O-N 3.26Å; L15-T19 WeakPolarHBondContact O-CB 3.45Å; L15-T19 PolarHBondContact O-N 2.87Å; L15-T19 PolarHBondContact O-OG1 3.39Å |
| 16 | V | 85.1 | Confident | 81.9 | Confident | 74 Ų | 74 | 96 Ų | 96 | 45% | 0.448 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.2 | -46.2 | 175.3 | 168.6 | 0 | 0 | 0 | 0 | 110.6 | V12 T13 H14 T19 V20 | V12-V16 HydrophobicContact CG1-CG2 4.3Å; V12-V16 WeakPolarHBondContact O-CB 3.43Å; V12-V16 WeakPolarHBondContact O-CG2 2.73Å; V12-V16 PolarHBondContact O-N 2.93Å; T13-V16 PolarHBondContact O-N 3.33Å; H14-V16 VanDerWaalsContact C-N 3.31Å; H14-V16 PolarHBondContact O-N 2.9Å; V16-T19 PolarHBondContact O-N 3.21Å; V16-V20 HydrophobicContact CG1-CG2 4.37Å; V16-V20 WeakPolarHBondContact O-CB 3.34Å; V16-V20 VanDerWaalsContact O-CG2 3.24Å; V16-V20 WeakPolarHBondContact O-CG2 3.41Å; V16-V20 PolarHBondContact O-N 3.49Å |
| 17 | N | 86.8 | Confident | 82.9 | Confident | 89 Ų | 89 | 97.2 Ų | 97.2 | 48% | 0.476 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 178.1 | -78 | -10.3 | 0 | 0 | 0 | 111.3 | T13 H14 T19 V20 E21 | T13-N17 WeakPolarHBondContact O-CB 3.3Å; T13-N17 PolarHBondContact O-N 3.2Å; H14-N17 PolarHBondContact O-N 3.12Å; N17-T19 VanDerWaalsContact C-N 3.28Å; N17-T19 PolarHBondContact O-N 3.42Å; N17-V20 PolarHBondContact O-N 3.42Å; N17-V20 VanDerWaalsContact O-N 3.12Å; N17-E21 WeakPolarHBondContact O-CB 3.48Å; N17-E21 WeakPolarHBondContact O-CG 3.48Å; N17-E21 PolarHBondContact O-N 3.02Å |
| 18 | D | 86.9 | Confident | 83.6 | Confident | 75 Ų | 75 | 93.2 Ų | 93.2 | 40% | 0.401 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.4 | -42.8 | 176.3 | -66.6 | -20.9 | 0 | 0 | 0 | 111.4 | H14 E21 F22 | H14-D18 IonicContact CE1-OD1 3.33Å; H14-D18 PolarHBondContact CE1-OD1 3.5Å; H14-D18 IonicContact CE1-OD2 3.16Å; H14-D18 PolarHBondContact CE1-OD2 3.44Å; H14-D18 IonicContact ND1-OD1 3.44Å; H14-D18 PolarHBondContact ND1-OD1 3Å; H14-D18 IonicContact ND1-OD2 2.75Å; H14-D18 PolarHBondContact ND1-OD2 2.86Å; H14-D18 WeakPolarHBondContact O-CB 3.42Å; H14-D18 PolarHBondContact O-N 3.17Å; D18-E21 PolarHBondContact O-N 3.01Å; D18-F22 VanDerWaalsContact O-CB 3.25Å; D18-F22 WeakPolarHBondContact O-CB 3.5Å; D18-F22 PolarHBondContact O-N 3.38Å |
| 19 | T | 83.8 | Confident | 84.4 | Confident | 84 Ų | 84 | 95.2 Ų | 95.2 | 52% | 0.515 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.9 | -41 | 178.3 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | L15 V16 N17 Y23 | L15-T19 WeakPolarHBondContact O-CB 3.45Å; L15-T19 PolarHBondContact O-N 2.87Å; L15-T19 PolarHBondContact O-OG1 3.39Å; V16-T19 PolarHBondContact O-N 3.21Å; N17-T19 VanDerWaalsContact C-N 3.28Å; N17-T19 PolarHBondContact O-N 3.42Å; T19-Y23 VanDerWaalsContact O-CB 3.29Å; T19-Y23 WeakPolarHBondContact O-CB 3.44Å; T19-Y23 PolarHBondContact O-N 3.48Å |
| 20 | V | 85.9 | Confident | 85 | Confident | 61 Ų | 61 | 90.2 Ų | 90.2 | 37% | 0.37 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.1 | -41.4 | 178.1 | 169.2 | 0 | 0 | 0 | 0 | 110.8 | V16 N17 Y23 K24 | V16-V20 HydrophobicContact CG1-CG2 4.37Å; V16-V20 WeakPolarHBondContact O-CB 3.34Å; V16-V20 VanDerWaalsContact O-CG2 3.24Å; V16-V20 WeakPolarHBondContact O-CG2 3.41Å; V16-V20 PolarHBondContact O-N 3.49Å; N17-V20 PolarHBondContact O-N 3.42Å; N17-V20 VanDerWaalsContact O-N 3.12Å; V20-Y23 PolarHBondContact O-N 3.39Å; V20-K24 HydrophobicContact CG1-CD 4.16Å; V20-K24 WeakPolarHBondContact O-CB 3.3Å; V20-K24 VanDerWaalsContact O-CG 3.3Å; V20-K24 WeakPolarHBondContact O-CG 3.19Å; V20-K24 PolarHBondContact O-N 2.9Å |
| 21 | E | 88.1 | Confident | 85.6 | Confident | 129 Ų | 129 | 84 Ų | 84 | 60% | 0.603 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -65.1 | -46.3 | 175.9 | -74.3 | -172.4 | 176.1 | 0 | 0 | 111.5 | N17 D18 Y23 K24 W25 | N17-E21 WeakPolarHBondContact O-CB 3.48Å; N17-E21 WeakPolarHBondContact O-CG 3.48Å; N17-E21 PolarHBondContact O-N 3.02Å; D18-E21 PolarHBondContact O-N 3.01Å; E21-Y23 VanDerWaalsContact C-N 3.3Å; E21-Y23 PolarHBondContact O-N 3.16Å; E21-K24 PolarHBondContact O-N 3.37Å; E21-W25 WeakPolarHBondContact O-CB 3.36Å; E21-W25 PolarHBondContact O-N 2.65Å |
| 22 | F | 84.7 | Confident | 86 | Confident | 133 Ų | 133 | 87.8 Ų | 87.8 | 58% | 0.583 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -57.7 | -44.2 | 173.1 | 177.8 | -99.5 | 0 | 0 | 0 | 111.5 | D18 W25 S26 | D18-F22 VanDerWaalsContact O-CB 3.25Å; D18-F22 WeakPolarHBondContact O-CB 3.5Å; D18-F22 PolarHBondContact O-N 3.38Å; F22-W25 HydrophobicContact CD2-CE3 4Å; F22-W25 HydrophobicContact CD2-CZ3 4.22Å; F22-W25 AromaticContact CE2-CE3 3.91Å; F22-W25 HydrophobicContact CE2-CE3 3.91Å; F22-W25 AromaticContact CE2-CZ3 3.66Å; F22-W25 HydrophobicContact CE2-CZ3 3.66Å; F22-W25 HydrophobicContact CZ-CZ3 4.27Å; F22-W25 PolarHBondContact O-N 2.72Å; F22-S26 WeakPolarHBondContact O-CB 2.99Å; F22-S26 PolarHBondContact O-N 2.89Å |
| 23 | Y | 84.9 | Confident | 86.5 | Confident | 72 Ų | 72 | 85.1 Ų | 85.1 | 28% | 0.282 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 176.9 | 178.2 | -117.5 | 0 | 0 | 0 | 111.7 | T19 V20 E21 W25 S26 L27 P43 | T19-Y23 VanDerWaalsContact O-CB 3.29Å; T19-Y23 WeakPolarHBondContact O-CB 3.44Å; T19-Y23 PolarHBondContact O-N 3.48Å; V20-Y23 PolarHBondContact O-N 3.39Å; E21-Y23 VanDerWaalsContact C-N 3.3Å; E21-Y23 PolarHBondContact O-N 3.16Å; Y23-W25 PolarHBondContact O-N 3.15Å; Y23-S26 WeakPolarHBondContact CA-OG 3.22Å; Y23-S26 PolarHBondContact O-N 2.98Å; Y23-S26 VanDerWaalsContact O-N 3.16Å; Y23-S26 PolarHBondContact O-OG 3.34Å; Y23-L27 HydrophobicContact CD1-CD1 4.24Å; Y23-L27 HydrophobicContact CE1-CD1 3.7Å; Y23-L27 HydrophobicContact CE1-CG 4.36Å; Y23-L27 HydrophobicContact CE2-CD1 4.32Å; Y23-L27 HydrophobicContact CE2-CD2 4.04Å; Y23-L27 HydrophobicContact CE2-CG 4.1Å; Y23-L27 WeakPolarHBondContact O-CG 3.29Å; Y23-L27 PolarHBondContact O-N 3.01Å; Y23-P43 HydrophobicContact CE2-CG 4.3Å; Y23-P43 WeakPolarHBondContact OH-CD 3.39Å |
| 24 | K | 87.3 | Confident | 87 | Confident | 134 Ų | 134 | 81.9 Ų | 81.9 | 58% | 0.583 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -59.7 | -45.8 | 176.1 | -75.7 | 173.5 | -179.7 | 176.3 | 0 | 111.7 | V20 E21 L27 T28 | V20-K24 HydrophobicContact CG1-CD 4.16Å; V20-K24 WeakPolarHBondContact O-CB 3.3Å; V20-K24 VanDerWaalsContact O-CG 3.3Å; V20-K24 WeakPolarHBondContact O-CG 3.19Å; V20-K24 PolarHBondContact O-N 2.9Å; E21-K24 PolarHBondContact O-N 3.37Å; K24-L27 PolarHBondContact O-N 3.34Å; K24-T28 PolarHBondContact O-N 3.23Å |
| 25 | W | 89.8 | Confident | 87.4 | Confident | 143 Ų | 143 | 81 Ų | 81 | 54% | 0.542 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.1 | -45.1 | 173.8 | 169.6 | 81.3 | 0 | 0 | 0 | 111.3 | E21 F22 Y23 L27 T28 I29 | E21-W25 WeakPolarHBondContact O-CB 3.36Å; E21-W25 PolarHBondContact O-N 2.65Å; F22-W25 HydrophobicContact CD2-CE3 4Å; F22-W25 HydrophobicContact CD2-CZ3 4.22Å; F22-W25 AromaticContact CE2-CE3 3.91Å; F22-W25 HydrophobicContact CE2-CE3 3.91Å; F22-W25 AromaticContact CE2-CZ3 3.66Å; F22-W25 HydrophobicContact CE2-CZ3 3.66Å; F22-W25 HydrophobicContact CZ-CZ3 4.27Å; F22-W25 PolarHBondContact O-N 2.72Å; Y23-W25 PolarHBondContact O-N 3.15Å; W25-L27 PolarHBondContact O-N 3.47Å; W25-T28 WeakPolarHBondContact O-CB 3.35Å; W25-T28 PolarHBondContact O-N 2.96Å; W25-T28 PolarHBondContact O-OG1 3.27Å; W25-I29 HydrophobicContact CH2-CD1 3.66Å; W25-I29 HydrophobicContact CZ2-CD1 3.99Å; W25-I29 HydrophobicContact CZ3-CD1 3.98Å |
| 26 | S | 85.8 | Confident | 87.8 | Confident | 7 Ų | 7 | 82.8 Ų | 82.8 | 5% | 0.049 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60.4 | -34.5 | 179.2 | 78.4 | 0 | 0 | 0 | 0 | 112.2 | F22 Y23 T28 I29 A30 W172 | F22-S26 WeakPolarHBondContact O-CB 2.99Å; F22-S26 PolarHBondContact O-N 2.89Å; Y23-S26 WeakPolarHBondContact CA-OG 3.22Å; Y23-S26 PolarHBondContact O-N 2.98Å; Y23-S26 VanDerWaalsContact O-N 3.16Å; Y23-S26 PolarHBondContact O-OG 3.34Å; S26-T28 VanDerWaalsContact C-N 3.26Å; S26-T28 PolarHBondContact O-N 3.47Å; S26-I29 WeakPolarHBondContact O-CG1 3.29Å; S26-I29 PolarHBondContact O-N 2.81Å; S26-A30 PolarHBondContact O-N 2.95Å; S26-W172 PolarHBondContact O-NE1 2.66Å; S26-W172 WeakPolarHBondContact OG-CZ2 3.27Å |
| 27 | L | 86.5 | Confident | 88.2 | Confident | 65 Ų | 65 | 81.8 Ų | 81.8 | 34% | 0.34 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.8 | -28.5 | 175 | -69.1 | 174.9 | 0 | 0 | 0 | 112.5 | Y23 K24 W25 I29 A30 | Y23-L27 HydrophobicContact CD1-CD1 4.24Å; Y23-L27 HydrophobicContact CE1-CD1 3.7Å; Y23-L27 HydrophobicContact CE1-CG 4.36Å; Y23-L27 HydrophobicContact CE2-CD1 4.32Å; Y23-L27 HydrophobicContact CE2-CD2 4.04Å; Y23-L27 HydrophobicContact CE2-CG 4.1Å; Y23-L27 WeakPolarHBondContact O-CG 3.29Å; Y23-L27 PolarHBondContact O-N 3.01Å; K24-L27 PolarHBondContact O-N 3.34Å; W25-L27 PolarHBondContact O-N 3.47Å; L27-I29 PolarHBondContact O-N 3.26Å; L27-A30 WeakPolarHBondContact O-CB 3.48Å; L27-A30 PolarHBondContact O-N 3.26Å |
| 28 | T | 85.3 | Confident | 88.6 | Confident | 106 Ų | 106 | 81.5 Ų | 81.5 | 65% | 0.65 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -67.7 | -25.3 | 177 | 72.4 | 0 | 0 | 0 | 0 | 113.1 | K24 W25 S26 | K24-T28 PolarHBondContact O-N 3.23Å; W25-T28 WeakPolarHBondContact O-CB 3.35Å; W25-T28 PolarHBondContact O-N 2.96Å; W25-T28 PolarHBondContact O-OG1 3.27Å; S26-T28 VanDerWaalsContact C-N 3.26Å; S26-T28 PolarHBondContact O-N 3.47Å |
| 29 | I | 86.1 | Confident | 88.8 | Confident | 92 Ų | 92 | 80 Ų | 80 | 47% | 0.472 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 6.4 | 178.5 | 63.3 | 166.6 | 0 | 0 | 0 | 112.8 | W25 S26 L27 | W25-I29 HydrophobicContact CH2-CD1 3.66Å; W25-I29 HydrophobicContact CZ2-CD1 3.99Å; W25-I29 HydrophobicContact CZ3-CD1 3.98Å; S26-I29 WeakPolarHBondContact O-CG1 3.29Å; S26-I29 PolarHBondContact O-N 2.81Å; L27-I29 PolarHBondContact O-N 3.26Å |
| 30 | A | 89 | Confident | 89.3 | Confident | 17 Ų | 17 | 76 Ų | 76 | 14% | 0.14 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -70.4 | 152.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | S26 L27 K32 K171 | S26-A30 PolarHBondContact O-N 2.95Å; L27-A30 WeakPolarHBondContact O-CB 3.48Å; L27-A30 PolarHBondContact O-N 3.26Å; A30-K32 PolarHBondContact O-N 3.42Å; A30-K171 HydrophobicContact CB-CD 4.22Å; A30-K171 HydrophobicContact CB-CG 4.23Å |
| 31 | D | 89.2 | Confident | 89.5 | Confident | 9 Ų | 9 | 77.1 Ų | 77.1 | 5% | 0.048 | 38% | 0.379 | C | S | . | . | trans | -72.8 | 117.9 | 179.6 | -168.8 | -28.8 | 0 | 0 | 0 | 110.7 | R33 V34 Y112 K171 P174 | D31-R33 PolarHBondContact O-N 3.05Å; D31-R33 WeakPolarHBondContact OD1-CB 3.02Å; D31-R33 VanDerWaalsContact OD1-CG 3.23Å; D31-R33 WeakPolarHBondContact OD1-CG 3.29Å; D31-R33 PolarHBondContact OD1-N 3.38Å; D31-R33 IonicContact OD1-NE 2.74Å; D31-R33 PolarHBondContact OD1-NE 3.38Å; D31-R33 VanDerWaalsContact OD1-NE 3.09Å; D31-R33 IonicContact OD2-CZ 3.38Å; D31-R33 IonicContact OD2-NE 3.5Å; D31-R33 PolarHBondContact OD2-NE 2.84Å; D31-R33 IonicContact OD2-NH2 3.15Å; D31-R33 PolarHBondContact OD2-NH2 3.32Å; D31-V34 HydrophobicContact CB-CG2 4.32Å; D31-V34 WeakPolarHBondContact O-CG2 3.26Å; D31-Y112 HydrophobicContact CB-CD1 4.33Å; D31-Y112 HydrophobicContact CB-CE1 4.37Å; D31-Y112 VanDerWaalsContact OD2-CD1 3.29Å; D31-Y112 WeakPolarHBondContact OD2-CD1 3.29Å; D31-K171 PolarHBondContact N-O 3.18Å; D31-P174 HydrophobicContact CB-CG 3.88Å; D31-P174 WeakPolarHBondContact OD2-CD 3.4Å; D31-P174 WeakPolarHBondContact OD2-CG 3.46Å | ||
| 32 | K | 91.1 | Very high | 89.5 | Confident | 172 Ų | 172 | 72.3 Ų | 72.3 | 75% | 0.748 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -66.4 | -24 | -179.3 | -63 | -174.7 | 178.9 | -178.2 | 0 | 113 | A30 V34 E35 | A30-K32 PolarHBondContact O-N 3.42Å; K32-V34 PolarHBondContact O-N 3.38Å; K32-E35 WeakPolarHBondContact O-CB 3.35Å; K32-E35 PolarHBondContact O-N 2.76Å |
| 33 | R | 92.5 | Very high | 89.8 | Confident | 25 Ų | 25 | 67.5 Ų | 67.5 | 9% | 0.094 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -64.7 | -31.3 | -176.8 | -60.9 | 176.5 | -62.2 | 175 | 3.6 | 112.3 | D31 W37 N111 S113 N114 | D31-R33 PolarHBondContact O-N 3.05Å; D31-R33 WeakPolarHBondContact OD1-CB 3.02Å; D31-R33 VanDerWaalsContact OD1-CG 3.23Å; D31-R33 WeakPolarHBondContact OD1-CG 3.29Å; D31-R33 PolarHBondContact OD1-N 3.38Å; D31-R33 IonicContact OD1-NE 2.74Å; D31-R33 PolarHBondContact OD1-NE 3.38Å; D31-R33 VanDerWaalsContact OD1-NE 3.09Å; D31-R33 IonicContact OD2-CZ 3.38Å; D31-R33 IonicContact OD2-NE 3.5Å; D31-R33 PolarHBondContact OD2-NE 2.84Å; D31-R33 IonicContact OD2-NH2 3.15Å; D31-R33 PolarHBondContact OD2-NH2 3.32Å; R33-W37 PolarHBondContact O-NE1 3.01Å; R33-N111 PolarHBondContact NH1-O 2.89Å; R33-N111 PolarHBondContact NH2-O 3.46Å; R33-S113 WeakPolarHBondContact CD-O 3.33Å; R33-S113 PolarHBondContact NH1-O 3.19Å; R33-N114 WeakPolarHBondContact CG-OD1 3.45Å |
| 34 | V | 92.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -100.5 | -3 | -176 | -52.7 | 0 | 0 | 0 | 0 | 113.1 | D31 K32 N36 W37 M40 I170 P174 | D31-V34 HydrophobicContact CB-CG2 4.32Å; D31-V34 WeakPolarHBondContact O-CG2 3.26Å; K32-V34 PolarHBondContact O-N 3.38Å; V34-N36 VanDerWaalsContact C-N 3.3Å; V34-N36 PolarHBondContact O-N 2.81Å; V34-W37 HydrophobicContact CB-CD2 4.1Å; V34-W37 HydrophobicContact CB-CE3 3.84Å; V34-W37 HydrophobicContact CB-CZ3 4.21Å; V34-W37 HydrophobicContact CG1-CD2 4.22Å; V34-W37 HydrophobicContact CG1-CE3 3.68Å; V34-W37 HydrophobicContact CG1-CH2 3.93Å; V34-W37 HydrophobicContact CG1-CZ2 4.46Å; V34-W37 HydrophobicContact CG1-CZ3 3.51Å; V34-W37 WeakPolarHBondContact O-CB 3.44Å; V34-W37 PolarHBondContact O-N 3.17Å; V34-M40 HydrophobicContact CB-CG 4.41Å; V34-M40 HydrophobicContact CG2-CE 3.99Å; V34-M40 WeakPolarHBondContact O-CB 3.37Å; V34-M40 WeakPolarHBondContact O-CG 3.35Å; V34-I170 HydrophobicContact CB-CG2 4.44Å; V34-I170 HydrophobicContact CG1-CG2 4.21Å; V34-P174 HydrophobicContact CG1-CB 4.14Å; V34-P174 HydrophobicContact CG1-CG 4.07Å |
| 35 | E | 90.4 | Very high | 90.4 | Very high | 102 Ų | 102 | 62.9 Ų | 62.9 | 48% | 0.477 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -42.9 | -170.2 | -176.9 | 173.5 | -162.4 | 0 | 0 | 113.1 | K32 W37 | K32-E35 WeakPolarHBondContact O-CB 3.35Å; K32-E35 PolarHBondContact O-N 2.76Å; E35-W37 VanDerWaalsContact C-N 3.32Å |
| 36 | N | 91.6 | Very high | 90.6 | Very high | 149 Ų | 149 | 56.1 Ų | 56.1 | 80% | 0.797 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | 3 | -178.2 | -63.5 | -44.3 | 0 | 0 | 0 | 113.4 | V34 | V34-N36 VanDerWaalsContact C-N 3.3Å; V34-N36 PolarHBondContact O-N 2.81Å |
| 37 | W | 94.8 | Very high | 91 | Very high | 54 Ų | 54 | 59.8 Ų | 59.8 | 21% | 0.205 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -76.5 | 150.4 | 179 | -66.7 | 1.4 | 0 | 0 | 0 | 110.8 | R33 V34 E35 M39 M40 V119 A122 S123 W126 | R33-W37 PolarHBondContact O-NE1 3.01Å; V34-W37 HydrophobicContact CB-CD2 4.1Å; V34-W37 HydrophobicContact CB-CE3 3.84Å; V34-W37 HydrophobicContact CB-CZ3 4.21Å; V34-W37 HydrophobicContact CG1-CD2 4.22Å; V34-W37 HydrophobicContact CG1-CE3 3.68Å; V34-W37 HydrophobicContact CG1-CH2 3.93Å; V34-W37 HydrophobicContact CG1-CZ2 4.46Å; V34-W37 HydrophobicContact CG1-CZ3 3.51Å; V34-W37 WeakPolarHBondContact O-CB 3.44Å; V34-W37 PolarHBondContact O-N 3.17Å; E35-W37 VanDerWaalsContact C-N 3.32Å; W37-M39 PolarHBondContact O-N 3Å; W37-M40 HydrophobicContact CB-CB 4.37Å; W37-M40 HydrophobicContact CB-CG 3.89Å; W37-M40 WeakPolarHBondContact O-CB 3.17Å; W37-M40 PolarHBondContact O-N 3.08Å; W37-M40 VanDerWaalsContact O-N 3.08Å; W37-V119 HydrophobicContact CZ2-CG1 4.46Å; W37-A122 HydrophobicContact CH2-CB 3.85Å; W37-A122 HydrophobicContact CZ3-CB 4.29Å; W37-A122 WeakPolarHBondContact CZ3-O 3.22Å; W37-S123 VanDerWaalsContact CH2-N 3.28Å; W37-W126 HydrophobicContact CD2-CG 4.48Å; W37-W126 HydrophobicContact CE3-CB 3.48Å; W37-W126 VanDerWaalsContact CE3-CB 3.48Å; W37-W126 AromaticContact CE3-CD1 3.76Å; W37-W126 HydrophobicContact CE3-CD2 4.14Å; W37-W126 AromaticContact CE3-CG 3.49Å; W37-W126 HydrophobicContact CE3-CG 3.49Å; W37-W126 VanDerWaalsContact CE3-CG 3.49Å; W37-W126 HydrophobicContact CZ3-CB 3.47Å; W37-W126 VanDerWaalsContact CZ3-CB 3.47Å; W37-W126 HydrophobicContact CZ3-CG 4.03Å |
| 38 | P | 94.7 | Very high | 91.5 | Very high | 83 Ų | 83 | 59.1 Ų | 59.1 | 54% | 0.539 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 136.4 | -179.6 | -17.9 | 26.4 | 0 | 0 | 0 | 110.8 | M40 W126 | P38-M40 PolarHBondContact O-N 3.19Å; P38-W126 HydrophobicContact CB-CZ2 3.83Å; P38-W126 HydrophobicContact CG-CH2 4.09Å; P38-W126 HydrophobicContact CG-CZ2 3.73Å; P38-W126 PolarHBondContact O-NE1 3.27Å |
| 39 | M | 91.3 | Very high | 92 | Very high | 44 Ų | 44 | 57.1 Ų | 57.1 | 22% | 0.217 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 5.5 | -179.6 | -46.9 | 177.4 | 69.3 | 0 | 0 | 116 | W37 P45 I49 Y129 I130 F163 W167 | W37-M39 PolarHBondContact O-N 3Å; M39-P45 HydrophobicContact CE-CB 4.2Å; M39-I49 HydrophobicContact CE-CD1 3.32Å; M39-Y129 HydrophobicContact CB-CE1 4.17Å; M39-Y129 VanDerWaalsContact CE-OH 3.32Å; M39-Y129 WeakPolarHBondContact CE-OH 3.48Å; M39-Y129 HydrophobicContact SD-CE1 4.45Å; M39-I130 HydrophobicContact SD-CD1 3.62Å; M39-F163 HydrophobicContact CE-CZ 3.88Å; M39-W167 PolarHBondContact O-NE1 3.29Å |
| 40 | M | 93.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | trans | -97.2 | -7.8 | 179.3 | -62.4 | -51.7 | -56.2 | 0 | 0 | 114.4 | V34 W37 P38 I170 K171 | V34-M40 HydrophobicContact CB-CG 4.41Å; V34-M40 HydrophobicContact CG2-CE 3.99Å; V34-M40 WeakPolarHBondContact O-CB 3.37Å; V34-M40 WeakPolarHBondContact O-CG 3.35Å; W37-M40 HydrophobicContact CB-CB 4.37Å; W37-M40 HydrophobicContact CB-CG 3.89Å; W37-M40 WeakPolarHBondContact O-CB 3.17Å; W37-M40 PolarHBondContact O-N 3.08Å; W37-M40 VanDerWaalsContact O-N 3.08Å; P38-M40 PolarHBondContact O-N 3.19Å; M40-I170 HydrophobicContact CE-CB 3.84Å; M40-I170 HydrophobicContact CE-CG2 3.68Å; M40-I170 HydrophobicContact SD-CB 4.19Å; M40-I170 HydrophobicContact SD-CG2 3.87Å; M40-K171 VanDerWaalsContact CE-CA 3.46Å; M40-K171 HydrophobicContact CE-CB 3.67Å; M40-K171 HydrophobicContact CE-CD 3.93Å; M40-K171 HydrophobicContact CE-CG 4.42Å; M40-K171 PolarHBondContact O-NZ 2.91Å | ||
| 41 | S | 89.1 | Confident | 92.7 | Very high | 83 Ų | 83 | 55.4 Ų | 55.4 | 58% | 0.58 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -63.3 | -41.9 | 178.8 | 58.2 | 0 | 0 | 0 | 0 | 112.5 | ||
| 42 | S | 88.8 | Confident | 93 | Very high | 29 Ų | 29 | 60.4 Ų | 60.4 | 20% | 0.203 | 34% | 0.338 | C | S | . | . | trans | -152.4 | 160.1 | -176.8 | 57.5 | 0 | 0 | 0 | 0 | 110.7 | S44 P45 W167 | S42-S44 PolarHBondContact O-N 3.28Å; S42-S44 PolarHBondContact OG-OG 3.27Å; S42-P45 WeakPolarHBondContact O-CD 3.45Å; S42-W167 PolarHBondContact O-NE1 3.44Å | ||
| 43 | P | 91 | Very high | 93.2 | Very high | 32 Ų | 32 | 52.8 Ų | 52.8 | 21% | 0.208 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -71.1 | -15.6 | 174.1 | 25.7 | -32.3 | 0 | 0 | 0 | 112.8 | Y23 P45 T46 L47 W167 | Y23-P43 HydrophobicContact CE2-CG 4.3Å; Y23-P43 WeakPolarHBondContact OH-CD 3.39Å; P43-P45 VanDerWaalsContact C-CD 3.49Å; P43-T46 WeakPolarHBondContact O-CB 3.37Å; P43-T46 PolarHBondContact O-N 3.44Å; P43-L47 HydrophobicContact CB-CD1 4.25Å; P43-L47 WeakPolarHBondContact O-CG 3.44Å; P43-L47 PolarHBondContact O-N 2.95Å; P43-W167 VanDerWaalsContact CA-CZ2 3.42Å; P43-W167 HydrophobicContact CB-CD2 4.37Å; P43-W167 HydrophobicContact CB-CE3 4.09Å; P43-W167 HydrophobicContact CB-CH2 3.54Å; P43-W167 HydrophobicContact CB-CZ2 3.82Å; P43-W167 HydrophobicContact CB-CZ3 3.67Å; P43-W167 HydrophobicContact CG-CH2 3.92Å; P43-W167 HydrophobicContact CG-CZ2 4.35Å; P43-W167 HydrophobicContact CG-CZ3 4.36Å |
| 44 | S | 91.4 | Very high | 93.3 | Very high | 68 Ų | 68 | 55.5 Ų | 55.5 | 48% | 0.476 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57.3 | -40.6 | -172.2 | 54.8 | 0 | 0 | 0 | 0 | 114.7 | S42 L47 A48 | S42-S44 PolarHBondContact O-N 3.28Å; S42-S44 PolarHBondContact OG-OG 3.27Å; S44-L47 PolarHBondContact O-N 3.27Å; S44-A48 VanDerWaalsContact O-CB 3.22Å; S44-A48 WeakPolarHBondContact O-CB 3.42Å; S44-A48 PolarHBondContact O-N 2.91Å |
| 45 | P | 93.8 | Very high | 93.5 | Very high | 40 Ų | 40 | 60.3 Ų | 60.3 | 26% | 0.26 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.6 | -42.8 | 178.1 | -19.1 | 35 | 0 | 0 | 0 | 111.8 | M39 S42 P43 A48 I49 | M39-P45 HydrophobicContact CE-CB 4.2Å; S42-P45 WeakPolarHBondContact O-CD 3.45Å; P43-P45 VanDerWaalsContact C-CD 3.49Å; P45-A48 PolarHBondContact O-N 3.01Å; P45-I49 WeakPolarHBondContact O-CG1 3.31Å; P45-I49 PolarHBondContact O-N 3.22Å |
| 46 | T | 94.3 | Very high | 93.7 | Very high | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.012 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.1 | -48.9 | 176.3 | -53.2 | 0 | 0 | 0 | 0 | 110.8 | P43 I49 S50 Y129 F163 I164 W167 | P43-T46 WeakPolarHBondContact O-CB 3.37Å; P43-T46 PolarHBondContact O-N 3.44Å; T46-I49 PolarHBondContact O-N 3.38Å; T46-S50 PolarHBondContact O-N 3.33Å; T46-S50 PolarHBondContact O-OG 3.41Å; T46-Y129 HydrophobicContact CG2-CE2 4.22Å; T46-Y129 PolarHBondContact OG1-OH 2.91Å; T46-F163 HydrophobicContact CG2-CD1 3.73Å; T46-F163 HydrophobicContact CG2-CE1 3.6Å; T46-F163 HydrophobicContact CG2-CG 4.27Å; T46-F163 HydrophobicContact CG2-CZ 4.03Å; T46-I164 HydrophobicContact CG2-CG1 4.36Å; T46-W167 HydrophobicContact CG2-CB 3.94Å; T46-W167 HydrophobicContact CG2-CG 4.25Å |
| 47 | L | 94.4 | Very high | 93.8 | Very high | 83 Ų | 83 | 53 Ų | 53 | 44% | 0.435 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 178.9 | -66.7 | 177.3 | 0 | 0 | 0 | 111.7 | P43 S44 I49 S50 C51 I164 | P43-L47 HydrophobicContact CB-CD1 4.25Å; P43-L47 WeakPolarHBondContact O-CG 3.44Å; P43-L47 PolarHBondContact O-N 2.95Å; S44-L47 PolarHBondContact O-N 3.27Å; L47-I49 PolarHBondContact O-N 3.47Å; L47-S50 PolarHBondContact O-N 2.85Å; L47-C51 WeakPolarHBondContact O-CB 3.32Å; L47-C51 PolarHBondContact O-N 2.96Å; L47-C51 PolarHBondContact O-SG 3.22Å; L47-I164 HydrophobicContact CD2-CD1 4.23Å; L47-I164 HydrophobicContact CD2-CG1 4.43Å |
| 48 | A | 95.4 | Very high | 93.7 | Very high | 51 Ų | 51 | 58.7 Ų | 58.7 | 42% | 0.421 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.3 | -45.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S44 P45 C51 L52 | S44-A48 VanDerWaalsContact O-CB 3.22Å; S44-A48 WeakPolarHBondContact O-CB 3.42Å; S44-A48 PolarHBondContact O-N 2.91Å; P45-A48 PolarHBondContact O-N 3.01Å; A48-C51 PolarHBondContact O-N 3.4Å; A48-L52 WeakPolarHBondContact O-CB 3.02Å; A48-L52 VanDerWaalsContact O-CG 3.29Å; A48-L52 WeakPolarHBondContact O-CG 3.18Å; A48-L52 PolarHBondContact O-N 2.97Å |
| 49 | I | 95.8 | Very high | 93.7 | Very high | 64 Ų | 64 | 56.6 Ų | 56.6 | 33% | 0.328 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.7 | -41.8 | 177.5 | -67.4 | 163.5 | 0 | 0 | 0 | 111 | M39 P45 T46 L47 C51 L52 Y53 F136 F163 | M39-I49 HydrophobicContact CE-CD1 3.32Å; P45-I49 WeakPolarHBondContact O-CG1 3.31Å; P45-I49 PolarHBondContact O-N 3.22Å; T46-I49 PolarHBondContact O-N 3.38Å; L47-I49 PolarHBondContact O-N 3.47Å; I49-C51 VanDerWaalsContact C-N 3.35Å; I49-C51 PolarHBondContact O-N 2.8Å; I49-L52 PolarHBondContact O-N 3.11Å; I49-Y53 WeakPolarHBondContact O-CB 3.29Å; I49-Y53 PolarHBondContact O-N 3.5Å; I49-F136 HydrophobicContact CG2-CD2 3.95Å; I49-F136 HydrophobicContact CG2-CE2 3.93Å; I49-F163 HydrophobicContact CB-CE1 4.03Å; I49-F163 HydrophobicContact CG2-CE1 3.92Å; I49-F163 HydrophobicContact CG2-CZ 4.45Å |
| 50 | S | 95.1 | Very high | 93.8 | Very high | 4 Ų | 4 | 54.7 Ų | 54.7 | 3% | 0.028 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 173.6 | -68.4 | 0 | 0 | 0 | 0 | 112.3 | T46 L47 Y53 L54 F163 | T46-S50 PolarHBondContact O-N 3.33Å; T46-S50 PolarHBondContact O-OG 3.41Å; L47-S50 PolarHBondContact O-N 2.85Å; S50-Y53 WeakPolarHBondContact O-CB 3.47Å; S50-Y53 PolarHBondContact O-N 3.31Å; S50-L54 WeakPolarHBondContact O-CG 3.37Å; S50-L54 PolarHBondContact O-N 3.11Å; S50-F163 WeakPolarHBondContact OG-CD1 3.34Å |
| 51 | C | 95.4 | Very high | 93.7 | Very high | 70 Ų | 70 | 56.5 Ų | 56.5 | 47% | 0.473 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 174.9 | -72.8 | 0 | 0 | 0 | 0 | 111.5 | L47 A48 I49 Y53 L54 I55 | L47-C51 WeakPolarHBondContact O-CB 3.32Å; L47-C51 PolarHBondContact O-N 2.96Å; L47-C51 PolarHBondContact O-SG 3.22Å; A48-C51 PolarHBondContact O-N 3.4Å; I49-C51 VanDerWaalsContact C-N 3.35Å; I49-C51 PolarHBondContact O-N 2.8Å; C51-Y53 VanDerWaalsContact C-N 3.28Å; C51-Y53 PolarHBondContact O-N 3.42Å; C51-L54 PolarHBondContact O-N 3Å; C51-I55 VanDerWaalsContact O-CG1 3.29Å; C51-I55 WeakPolarHBondContact O-CG1 3.49Å; C51-I55 PolarHBondContact O-N 3.03Å |
| 52 | L | 95.9 | Very high | 93.9 | Very high | 114 Ų | 114 | 57.3 Ų | 57.3 | 60% | 0.597 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -59.6 | -40.2 | 175.2 | -72.9 | 171.5 | 0 | 0 | 0 | 111.6 | A48 I49 I55 F56 | A48-L52 WeakPolarHBondContact O-CB 3.02Å; A48-L52 VanDerWaalsContact O-CG 3.29Å; A48-L52 WeakPolarHBondContact O-CG 3.18Å; A48-L52 PolarHBondContact O-N 2.97Å; I49-L52 PolarHBondContact O-N 3.11Å; L52-I55 PolarHBondContact O-N 3.33Å; L52-F56 WeakPolarHBondContact O-CB 3.37Å; L52-F56 PolarHBondContact O-N 2.96Å |
| 53 | Y | 95.6 | Very high | 94.1 | Very high | 12 Ų | 12 | 61.9 Ų | 61.9 | 5% | 0.047 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 174.2 | 170.9 | -107.4 | 0 | 0 | 0 | 112.4 | I49 S50 C51 F56 L57 F136 T139 V156 C160 | I49-Y53 WeakPolarHBondContact O-CB 3.29Å; I49-Y53 PolarHBondContact O-N 3.5Å; S50-Y53 WeakPolarHBondContact O-CB 3.47Å; S50-Y53 PolarHBondContact O-N 3.31Å; C51-Y53 VanDerWaalsContact C-N 3.28Å; C51-Y53 PolarHBondContact O-N 3.42Å; Y53-F56 PolarHBondContact O-N 2.89Å; Y53-L57 HydrophobicContact CD1-CD1 3.96Å; Y53-L57 HydrophobicContact CE1-CD1 3.42Å; Y53-L57 VanDerWaalsContact CE1-CD1 3.42Å; Y53-L57 HydrophobicContact CE1-CG 4.4Å; Y53-L57 HydrophobicContact CE2-CD1 4.2Å; Y53-L57 HydrophobicContact CE2-CG 4.37Å; Y53-L57 WeakPolarHBondContact O-CB 3.49Å; Y53-L57 PolarHBondContact O-N 3.02Å; Y53-F136 HydrophobicContact CD1-CD1 4.45Å; Y53-F136 HydrophobicContact CD1-CE1 4.34Å; Y53-F136 HydrophobicContact CD1-CE2 4.44Å; Y53-F136 HydrophobicContact CD1-CZ 4.32Å; Y53-F136 HydrophobicContact CD2-CB 3.68Å; Y53-F136 HydrophobicContact CD2-CD1 4.03Å; Y53-F136 AromaticContact CD2-CD2 3.97Å; Y53-F136 HydrophobicContact CD2-CD2 3.97Å; Y53-F136 AromaticContact CD2-CG 3.64Å; Y53-F136 HydrophobicContact CD2-CG 3.64Å; Y53-F136 HydrophobicContact CE1-CD1 4.45Å; Y53-F136 HydrophobicContact CE1-CE1 4.41Å; Y53-F136 HydrophobicContact CE2-CB 3.97Å; Y53-F136 HydrophobicContact CE2-CD1 4.01Å; Y53-F136 HydrophobicContact CE2-CG 4.01Å; Y53-F136 HydrophobicContact CG-CB 4.43Å; Y53-F136 HydrophobicContact CG-CD1 4.24Å; Y53-F136 AromaticContact CG-CD2 3.87Å; Y53-F136 HydrophobicContact CG-CD2 3.87Å; Y53-F136 HydrophobicContact CG-CE1 4.46Å; Y53-F136 HydrophobicContact CG-CE2 4.1Å; Y53-F136 AromaticContact CG-CG 3.94Å; Y53-F136 HydrophobicContact CG-CG 3.94Å; Y53-F136 HydrophobicContact CG-CZ 4.38Å; Y53-T139 HydrophobicContact CE2-CG2 3.93Å; Y53-T139 PolarHBondContact OH-OG1 3.24Å; Y53-V156 HydrophobicContact CE1-CG1 4.34Å; Y53-C160 HydrophobicContact CE1-CB 4.36Å |
| 54 | L | 95 | Very high | 94.3 | Very high | 81 Ų | 81 | 60.4 Ų | 60.4 | 42% | 0.424 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.8 | -38.9 | 176.8 | -67.3 | 175.7 | 0 | 0 | 0 | 112.4 | S50 C51 F56 L57 W58 V156 | S50-L54 WeakPolarHBondContact O-CG 3.37Å; S50-L54 PolarHBondContact O-N 3.11Å; C51-L54 PolarHBondContact O-N 3Å; L54-F56 VanDerWaalsContact C-N 3.34Å; L54-L57 HydrophobicContact CD2-CD1 4.16Å; L54-L57 WeakPolarHBondContact O-CB 3.43Å; L54-L57 PolarHBondContact O-N 3.33Å; L54-W58 PolarHBondContact O-N 3.44Å; L54-W58 VanDerWaalsContact O-N 3.08Å; L54-V156 HydrophobicContact CD2-CG1 4.27Å |
| 55 | I | 95.6 | Very high | 94.3 | Very high | 102 Ų | 102 | 63.2 Ų | 63.2 | 52% | 0.523 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 173.4 | -68.8 | 165 | 0 | 0 | 0 | 109.9 | C51 L52 L57 W58 A59 | C51-I55 VanDerWaalsContact O-CG1 3.29Å; C51-I55 WeakPolarHBondContact O-CG1 3.49Å; C51-I55 PolarHBondContact O-N 3.03Å; L52-I55 PolarHBondContact O-N 3.33Å; I55-L57 VanDerWaalsContact C-N 3.34Å; I55-L57 PolarHBondContact O-N 3.15Å; I55-W58 PolarHBondContact O-N 2.85Å; I55-A59 VanDerWaalsContact O-CB 3.3Å; I55-A59 WeakPolarHBondContact O-CB 3.3Å; I55-A59 PolarHBondContact O-N 3.17Å |
| 56 | F | 94.8 | Very high | 94.3 | Very high | 72 Ų | 72 | 68.8 Ų | 68.8 | 32% | 0.316 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.5 | -40.4 | 176.8 | -177 | -85.8 | 0 | 0 | 0 | 111.9 | L52 Y53 L54 W58 G60 A140 I143 | L52-F56 WeakPolarHBondContact O-CB 3.37Å; L52-F56 PolarHBondContact O-N 2.96Å; Y53-F56 PolarHBondContact O-N 2.89Å; L54-F56 VanDerWaalsContact C-N 3.34Å; F56-W58 VanDerWaalsContact C-N 3.27Å; F56-W58 PolarHBondContact O-N 3.11Å; F56-G60 VanDerWaalsContact O-CA 3.26Å; F56-G60 WeakPolarHBondContact O-CA 3.31Å; F56-G60 PolarHBondContact O-N 3.23Å; F56-A140 HydrophobicContact CE1-CB 3.9Å; F56-A140 HydrophobicContact CZ-CB 4.08Å; F56-I143 HydrophobicContact CD1-CD1 3.92Å; F56-I143 HydrophobicContact CE1-CB 4.03Å; F56-I143 HydrophobicContact CE1-CD1 3.65Å; F56-I143 HydrophobicContact CE1-CG1 4.4Å; F56-I143 HydrophobicContact CE1-CG2 4.08Å; F56-I143 HydrophobicContact CZ-CG2 4.29Å |
| 57 | L | 93.5 | Very high | 94.2 | Very high | 25 Ų | 25 | 74.3 Ų | 74.3 | 13% | 0.131 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60 | -35.9 | 174.1 | -87.9 | 171.3 | 0 | 0 | 0 | 113.1 | Y53 L54 I55 P61 T139 I143 V151 V156 | Y53-L57 HydrophobicContact CD1-CD1 3.96Å; Y53-L57 HydrophobicContact CE1-CD1 3.42Å; Y53-L57 VanDerWaalsContact CE1-CD1 3.42Å; Y53-L57 HydrophobicContact CE1-CG 4.4Å; Y53-L57 HydrophobicContact CE2-CD1 4.2Å; Y53-L57 HydrophobicContact CE2-CG 4.37Å; Y53-L57 WeakPolarHBondContact O-CB 3.49Å; Y53-L57 PolarHBondContact O-N 3.02Å; L54-L57 HydrophobicContact CD2-CD1 4.16Å; L54-L57 WeakPolarHBondContact O-CB 3.43Å; L54-L57 PolarHBondContact O-N 3.33Å; I55-L57 VanDerWaalsContact C-N 3.34Å; I55-L57 PolarHBondContact O-N 3.15Å; L57-P61 WeakPolarHBondContact O-CD 3.5Å; L57-P61 VanDerWaalsContact O-CG 3.29Å; L57-P61 WeakPolarHBondContact O-CG 3.33Å; L57-T139 HydrophobicContact CD2-CG2 3.32Å; L57-T139 HydrophobicContact CG-CG2 4.11Å; L57-I143 HydrophobicContact CD2-CD1 3.85Å; L57-V151 HydrophobicContact CD2-CG1 3.55Å; L57-V156 HydrophobicContact CD1-CB 4.19Å; L57-V156 HydrophobicContact CD1-CG1 3.43Å; L57-V156 VanDerWaalsContact CD1-CG1 3.43Å; L57-V156 HydrophobicContact CD1-CG2 3.69Å; L57-V156 HydrophobicContact CD2-CG2 3.97Å |
| 58 | W | 92.4 | Very high | 94.1 | Very high | 174 Ų | 174 | 78.1 Ų | 78.1 | 66% | 0.659 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -82.1 | -43.4 | 179 | 178.2 | 84.3 | 0 | 0 | 0 | 113 | L54 I55 F56 K62 | L54-W58 PolarHBondContact O-N 3.44Å; L54-W58 VanDerWaalsContact O-N 3.08Å; I55-W58 PolarHBondContact O-N 2.85Å; F56-W58 VanDerWaalsContact C-N 3.27Å; F56-W58 PolarHBondContact O-N 3.11Å; W58-K62 VanDerWaalsContact CE2-NZ 3.29Å |
| 59 | A | 94.5 | Very high | 94 | Very high | 38 Ų | 38 | 78.6 Ų | 78.6 | 31% | 0.314 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -81.8 | -35.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I55 K62 Y63 | I55-A59 VanDerWaalsContact O-CB 3.3Å; I55-A59 WeakPolarHBondContact O-CB 3.3Å; I55-A59 PolarHBondContact O-N 3.17Å; A59-K62 WeakPolarHBondContact O-CB 3.24Å; A59-K62 PolarHBondContact O-N 3.5Å; A59-Y63 WeakPolarHBondContact O-CB 3.38Å; A59-Y63 PolarHBondContact O-N 3.23Å |
| 60 | G | 93.1 | Very high | 93.9 | Very high | 5 Ų | 5 | 79.7 Ų | 79.7 | 5% | 0.052 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.3 | -48.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | F56 K62 Y63 M64 | F56-G60 VanDerWaalsContact O-CA 3.26Å; F56-G60 WeakPolarHBondContact O-CA 3.31Å; F56-G60 PolarHBondContact O-N 3.23Å; G60-K62 VanDerWaalsContact C-N 3.33Å; G60-K62 PolarHBondContact O-N 2.64Å; G60-Y63 PolarHBondContact O-N 2.86Å; G60-M64 WeakPolarHBondContact O-CB 3.47Å; G60-M64 WeakPolarHBondContact O-CG 3.32Å; G60-M64 PolarHBondContact O-N 2.82Å |
| 61 | P | 92.8 | Very high | 93.7 | Very high | 37 Ų | 37 | 86.4 Ų | 86.4 | 24% | 0.24 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -59.4 | -42.3 | 175 | -25.8 | 35.4 | 0 | 0 | 0 | 112.6 | L57 M64 Q65 I143 F148 | L57-P61 WeakPolarHBondContact O-CD 3.5Å; L57-P61 VanDerWaalsContact O-CG 3.29Å; L57-P61 WeakPolarHBondContact O-CG 3.33Å; P61-M64 PolarHBondContact O-N 3.32Å; P61-Q65 WeakPolarHBondContact O-CG 3.41Å; P61-Q65 PolarHBondContact O-N 2.79Å; P61-Q65 VanDerWaalsContact O-N 3.12Å; P61-I143 HydrophobicContact CG-CD1 4.39Å; P61-I143 HydrophobicContact CG-CG1 4.5Å; P61-F148 HydrophobicContact CB-CD1 4.34Å; P61-F148 HydrophobicContact CB-CE1 3.73Å; P61-F148 HydrophobicContact CB-CZ 4.18Å; P61-F148 HydrophobicContact CG-CD1 4.3Å; P61-F148 HydrophobicContact CG-CE1 3.9Å |
| 62 | K | 93.7 | Very high | 93.5 | Very high | 101 Ų | 101 | 84.7 Ų | 84.7 | 44% | 0.439 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.5 | -46.5 | 177.1 | -63.5 | -178.6 | -179.9 | -177.7 | 0 | 111.4 | W58 A59 G60 M64 Q65 | W58-K62 VanDerWaalsContact CE2-NZ 3.29Å; A59-K62 WeakPolarHBondContact O-CB 3.24Å; A59-K62 PolarHBondContact O-N 3.5Å; G60-K62 VanDerWaalsContact C-N 3.33Å; G60-K62 PolarHBondContact O-N 2.64Å; K62-M64 PolarHBondContact O-N 3.44Å; K62-Q65 WeakPolarHBondContact O-CB 3.42Å; K62-Q65 PolarHBondContact O-N 3.23Å |
| 63 | Y | 93.6 | Very high | 93.2 | Very high | 125 Ų | 125 | 85.8 Ų | 85.8 | 49% | 0.49 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.4 | -34.5 | 176.5 | 177.1 | -98.6 | 0 | 0 | 0 | 113 | A59 G60 R67 | A59-Y63 WeakPolarHBondContact O-CB 3.38Å; A59-Y63 PolarHBondContact O-N 3.23Å; G60-Y63 PolarHBondContact O-N 2.86Å; Y63-R67 VanDerWaalsContact CZ-CZ 3.45Å; Y63-R67 PolarHBondContact OH-NE 2.85Å; Y63-R67 PolarHBondContact OH-NH1 3.3Å; Y63-R67 PolarHBondContact OH-NH2 2.83Å |
| 64 | M | 93.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 93.7 Ų | 93.7 | 0% | 0 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -83.8 | -11 | -179.6 | -71.6 | -61.6 | -60.2 | 0 | 0 | 113.8 | G60 P61 K62 D66 R67 F70 I143 L144 K146 F148 | G60-M64 WeakPolarHBondContact O-CB 3.47Å; G60-M64 WeakPolarHBondContact O-CG 3.32Å; G60-M64 PolarHBondContact O-N 2.82Å; P61-M64 PolarHBondContact O-N 3.32Å; K62-M64 PolarHBondContact O-N 3.44Å; M64-D66 VanDerWaalsContact C-N 3.35Å; M64-D66 PolarHBondContact O-N 2.96Å; M64-R67 HydrophobicContact CE-CB 4.37Å; M64-R67 PolarHBondContact O-N 2.95Å; M64-R67 VanDerWaalsContact O-N 3.17Å; M64-R67 HydrophobicContact SD-CB 4.41Å; M64-F70 HydrophobicContact CE-CD2 3.8Å; M64-F70 HydrophobicContact CE-CE2 3.96Å; M64-F70 HydrophobicContact SD-CD2 3.97Å; M64-F70 HydrophobicContact SD-CE2 3.61Å; M64-I143 HydrophobicContact CG-CG2 4.2Å; M64-L144 WeakPolarHBondContact CE-O 3.48Å; M64-L144 HydrophobicContact SD-CD2 4.13Å; M64-K146 HydrophobicContact CE-CG 4.1Å; M64-K146 WeakPolarHBondContact O-CE 3.22Å; M64-K146 PolarHBondContact O-NZ 3.13Å; M64-F148 HydrophobicContact CB-CZ 4.29Å |
| 65 | Q | 91.5 | Very high | 93.1 | Very high | 128 Ų | 128 | 93.2 Ų | 93.2 | 60% | 0.598 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -52.7 | -175.5 | -82.4 | 168.4 | -2.5 | 0 | 0 | 111.7 | P61 K62 R67 K146 | P61-Q65 WeakPolarHBondContact O-CG 3.41Å; P61-Q65 PolarHBondContact O-N 2.79Å; P61-Q65 VanDerWaalsContact O-N 3.12Å; K62-Q65 WeakPolarHBondContact O-CB 3.42Å; K62-Q65 PolarHBondContact O-N 3.23Å; Q65-R67 PolarHBondContact O-N 3.35Å; Q65-K146 PolarHBondContact O-NZ 3.42Å |
| 66 | D | 93.3 | Very high | 93 | Very high | 156 Ų | 156 | 89.2 Ų | 89.2 | 83% | 0.834 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 9.5 | -175.2 | -53.3 | -52.6 | 0 | 0 | 0 | 114.3 | M64 | M64-D66 VanDerWaalsContact C-N 3.35Å; M64-D66 PolarHBondContact O-N 2.96Å |
| 67 | R | 93.1 | Very high | 93 | Very high | 118 Ų | 118 | 87.4 Ų | 87.4 | 45% | 0.445 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -112 | 152.6 | -177 | -65 | -177.1 | -178.7 | -101.3 | -3 | 112.4 | Y63 M64 Q65 K146 | Y63-R67 VanDerWaalsContact CZ-CZ 3.45Å; Y63-R67 PolarHBondContact OH-NE 2.85Å; Y63-R67 PolarHBondContact OH-NH1 3.3Å; Y63-R67 PolarHBondContact OH-NH2 2.83Å; M64-R67 HydrophobicContact CE-CB 4.37Å; M64-R67 PolarHBondContact O-N 2.95Å; M64-R67 VanDerWaalsContact O-N 3.17Å; M64-R67 HydrophobicContact SD-CB 4.41Å; Q65-R67 PolarHBondContact O-N 3.35Å; R67-K146 WeakPolarHBondContact O-CE 3.38Å; R67-K146 PolarHBondContact O-NZ 3.46Å |
| 68 | Q | 92.4 | Very high | 93.1 | Very high | 163 Ų | 163 | 90.7 Ų | 90.7 | 76% | 0.762 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -72.9 | 149 | 170.2 | -66.2 | -62 | -16.5 | 0 | 0 | 110.8 | ||
| 69 | P | 93.9 | Very high | 93.4 | Very high | 62 Ų | 62 | 83.3 Ų | 83.3 | 40% | 0.403 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 136.1 | 178.4 | 27.5 | -33.4 | 0 | 0 | 0 | 110.9 | K146 | P69-K146 HydrophobicContact CB-CB 4.26Å; P69-K146 HydrophobicContact CB-CD 4.39Å; P69-K146 HydrophobicContact CB-CG 4.21Å |
| 70 | F | 91.9 | Very high | 93.5 | Very high | 86 Ų | 86 | 81.9 Ų | 81.9 | 38% | 0.377 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 137.8 | -178.8 | -72.2 | -85.4 | 0 | 0 | 0 | 112.5 | M64 L72 L144 | M64-F70 HydrophobicContact CE-CD2 3.8Å; M64-F70 HydrophobicContact CE-CE2 3.96Å; M64-F70 HydrophobicContact SD-CD2 3.97Å; M64-F70 HydrophobicContact SD-CE2 3.61Å; F70-L72 HydrophobicContact CB-CD1 4.12Å; F70-L72 HydrophobicContact CB-CD2 4.04Å; F70-L72 HydrophobicContact CB-CG 3.75Å; F70-L72 PolarHBondContact O-N 3.47Å; F70-L144 HydrophobicContact CD2-CB 4.07Å; F70-L144 HydrophobicContact CD2-CD2 4.02Å; F70-L144 WeakPolarHBondContact CD2-O 3.42Å; F70-L144 HydrophobicContact CE2-CD2 4.01Å; F70-L144 PolarHBondContact N-O 3.48Å |
| 71 | T | 90.9 | Very high | 93.6 | Very high | 145 Ų | 145 | 85.8 Ų | 85.8 | 89% | 0.89 | 42% | 0.415 | S | S | * | . | trans | -87 | 73.8 | 174.1 | 32.8 | 0 | 0 | 0 | 0 | 111.8 | R73 | T71-R73 VanDerWaalsContact C-N 3.29Å; T71-R73 PolarHBondContact O-N 2.96Å | ||
| 72 | L | 91.2 | Very high | 93.9 | Very high | 34 Ų | 34 | 87.2 Ų | 87.2 | 18% | 0.178 | 43% | 0.426 | C | S | . | . | trans | -87.8 | 31.4 | -174.7 | -58.8 | 174.9 | 0 | 0 | 0 | 114.5 | F70 K74 T75 L76 F141 L144 | F70-L72 HydrophobicContact CB-CD1 4.12Å; F70-L72 HydrophobicContact CB-CD2 4.04Å; F70-L72 HydrophobicContact CB-CG 3.75Å; F70-L72 PolarHBondContact O-N 3.47Å; L72-K74 PolarHBondContact O-N 3.41Å; L72-T75 PolarHBondContact O-N 3.19Å; L72-L76 HydrophobicContact CB-CG 4.45Å; L72-L76 WeakPolarHBondContact O-CB 3.37Å; L72-L76 WeakPolarHBondContact O-CG 3.5Å; L72-L76 PolarHBondContact O-N 3.3Å; L72-F141 HydrophobicContact CD1-CD1 3.82Å; L72-F141 HydrophobicContact CD1-CE1 4.39Å; L72-L144 HydrophobicContact CD1-CB 3.98Å; L72-L144 HydrophobicContact CD1-CD1 4.06Å | ||
| 73 | R | 90.3 | Very high | 94.1 | Very high | 138 Ų | 138 | 82.6 Ų | 82.6 | 52% | 0.521 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.8 | -50 | -169.5 | -173.8 | 174.3 | 174.2 | -167.6 | -8.9 | 113.1 | T71 L76 I77 A200 L201 | T71-R73 VanDerWaalsContact C-N 3.29Å; T71-R73 PolarHBondContact O-N 2.96Å; R73-L76 PolarHBondContact O-N 3.47Å; R73-I77 HydrophobicContact CG-CD1 4.08Å; R73-I77 VanDerWaalsContact O-CG1 3.3Å; R73-I77 WeakPolarHBondContact O-CG1 3.48Å; R73-I77 PolarHBondContact O-N 3.4Å; R73-A200 VanDerWaalsContact CG-O 3.26Å; R73-A200 WeakPolarHBondContact CG-O 3.41Å; R73-A200 PolarHBondContact NE-O 3.36Å; R73-L201 PolarHBondContact NH2-O 3.42Å |
| 74 | K | 93.1 | Very high | 94.3 | Very high | 178 Ų | 178 | 78 Ų | 78 | 77% | 0.774 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -62.8 | -44.6 | 178.7 | -68.9 | -176.8 | 179.4 | -179.8 | 0 | 111.4 | L72 L76 I77 V78 | L72-K74 PolarHBondContact O-N 3.41Å; K74-L76 VanDerWaalsContact C-N 3.34Å; K74-L76 PolarHBondContact O-N 2.87Å; K74-I77 PolarHBondContact O-N 3.27Å; K74-V78 WeakPolarHBondContact O-CG2 3.24Å; K74-V78 PolarHBondContact O-N 3.01Å |
| 75 | T | 95.3 | Very high | 94.5 | Very high | 71 Ų | 71 | 82.7 Ų | 82.7 | 44% | 0.436 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -58.4 | -45.7 | 176.8 | -48.4 | 0 | 0 | 0 | 0 | 111.5 | L72 V78 Y79 F141 | L72-T75 PolarHBondContact O-N 3.19Å; T75-V78 PolarHBondContact O-N 2.95Å; T75-Y79 WeakPolarHBondContact O-CB 3.43Å; T75-Y79 PolarHBondContact O-N 3.31Å; T75-F141 HydrophobicContact CG2-CE1 3.92Å; T75-F141 HydrophobicContact CG2-CZ 4.06Å |
| 76 | L | 93.8 | Very high | 94.8 | Very high | 17 Ų | 17 | 78.2 Ų | 78.2 | 9% | 0.089 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 176.8 | -75.4 | 174.1 | 0 | 0 | 0 | 112.1 | L72 R73 K74 Y79 N80 F141 A200 | L72-L76 HydrophobicContact CB-CG 4.45Å; L72-L76 WeakPolarHBondContact O-CB 3.37Å; L72-L76 WeakPolarHBondContact O-CG 3.5Å; L72-L76 PolarHBondContact O-N 3.3Å; R73-L76 PolarHBondContact O-N 3.47Å; K74-L76 VanDerWaalsContact C-N 3.34Å; K74-L76 PolarHBondContact O-N 2.87Å; L76-Y79 PolarHBondContact O-N 3.37Å; L76-N80 VanDerWaalsContact O-CB 3.32Å; L76-N80 WeakPolarHBondContact O-CB 3.37Å; L76-N80 PolarHBondContact O-N 3.35Å; L76-N80 PolarHBondContact O-ND2 2.86Å; L76-F141 HydrophobicContact CD2-CB 3.86Å; L76-F141 HydrophobicContact CD2-CD1 4.29Å; L76-F141 HydrophobicContact CD2-CD2 3.63Å; L76-F141 HydrophobicContact CD2-CE2 4.25Å; L76-F141 HydrophobicContact CD2-CG 3.67Å; L76-A200 HydrophobicContact CB-CB 4.28Å |
| 77 | I | 94.6 | Very high | 95 | Very high | 35 Ų | 35 | 70.8 Ų | 70.8 | 18% | 0.179 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.5 | -54.4 | 176.8 | -70.1 | 162.3 | 0 | 0 | 0 | 109.5 | R73 K74 Y79 N80 F81 A200 L201 | R73-I77 HydrophobicContact CG-CD1 4.08Å; R73-I77 VanDerWaalsContact O-CG1 3.3Å; R73-I77 WeakPolarHBondContact O-CG1 3.48Å; R73-I77 PolarHBondContact O-N 3.4Å; K74-I77 PolarHBondContact O-N 3.27Å; I77-Y79 PolarHBondContact O-N 3.17Å; I77-N80 PolarHBondContact O-N 3.31Å; I77-F81 HydrophobicContact CG2-CD2 3.71Å; I77-F81 HydrophobicContact CG2-CE2 3.83Å; I77-F81 WeakPolarHBondContact O-CD2 3.36Å; I77-F81 PolarHBondContact O-N 3.3Å; I77-A200 HydrophobicContact CG1-CB 3.66Å; I77-L201 HydrophobicContact CD1-CD2 3.89Å; I77-L201 HydrophobicContact CG1-CD2 4.25Å; I77-L201 HydrophobicContact CG2-CD2 4.4Å |
| 78 | V | 96.8 | Very high | 95.3 | Very high | 94 Ų | 94 | 71 Ų | 71 | 57% | 0.57 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -58.5 | -49.3 | -179.8 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | K74 T75 N80 F81 S82 | K74-V78 WeakPolarHBondContact O-CG2 3.24Å; K74-V78 PolarHBondContact O-N 3.01Å; T75-V78 PolarHBondContact O-N 2.95Å; V78-N80 PolarHBondContact O-N 2.88Å; V78-F81 PolarHBondContact O-N 3.21Å; V78-S82 WeakPolarHBondContact O-CB 3.43Å; V78-S82 PolarHBondContact O-N 2.91Å; V78-S82 PolarHBondContact O-OG 3.46Å |
| 79 | Y | 97.1 | Very high | 95.6 | Very high | 19 Ų | 19 | 67.5 Ų | 67.5 | 8% | 0.075 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.2 | -50.8 | 179.5 | 167.1 | -96.5 | 0 | 0 | 0 | 112.6 | T75 L76 I77 F81 S82 M83 V134 L137 D138 F141 Y193 | T75-Y79 WeakPolarHBondContact O-CB 3.43Å; T75-Y79 PolarHBondContact O-N 3.31Å; L76-Y79 PolarHBondContact O-N 3.37Å; I77-Y79 PolarHBondContact O-N 3.17Å; Y79-F81 PolarHBondContact O-N 2.98Å; Y79-S82 PolarHBondContact O-N 3.5Å; Y79-M83 HydrophobicContact CD2-CG 4.31Å; Y79-M83 HydrophobicContact CE1-CG 4.16Å; Y79-M83 HydrophobicContact CE2-CG 3.86Å; Y79-M83 HydrophobicContact CE2-SD 4.37Å; Y79-M83 WeakPolarHBondContact O-CG 3.5Å; Y79-M83 PolarHBondContact O-N 2.95Å; Y79-V134 HydrophobicContact CE2-CG1 4.08Å; Y79-L137 HydrophobicContact CD2-CB 4.42Å; Y79-L137 HydrophobicContact CD2-CD1 4.18Å; Y79-L137 HydrophobicContact CE2-CB 3.74Å; Y79-L137 HydrophobicContact CE2-CD1 3.93Å; Y79-L137 HydrophobicContact CE2-CG 4.45Å; Y79-D138 WeakPolarHBondContact CE1-OD1 3.31Å; Y79-D138 PolarHBondContact OH-OD1 3.23Å; Y79-F141 HydrophobicContact CD1-CD2 4.16Å; Y79-F141 AromaticContact CD1-CE2 3.63Å; Y79-F141 HydrophobicContact CD1-CE2 3.63Å; Y79-F141 AromaticContact CD2-CE2 3.78Å; Y79-F141 HydrophobicContact CD2-CE2 3.78Å; Y79-F141 HydrophobicContact CD2-CZ 4.36Å; Y79-F141 HydrophobicContact CE1-CD2 4.25Å; Y79-F141 AromaticContact CE1-CE2 3.96Å; Y79-F141 HydrophobicContact CE1-CE2 3.96Å; Y79-F141 HydrophobicContact CE2-CE2 4.09Å; Y79-F141 HydrophobicContact CG-CD2 4.47Å; Y79-F141 AromaticContact CG-CE2 3.53Å; Y79-F141 HydrophobicContact CG-CE2 3.53Å; Y79-F141 HydrophobicContact CG-CZ 4.19Å; Y79-Y193 HydrophobicContact CE1-CE1 4.08Å |
| 80 | N | 96.5 | Very high | 95.8 | Very high | 8 Ų | 8 | 64.6 Ų | 64.6 | 4% | 0.043 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.6 | -41.7 | -178.5 | -76.9 | -73.1 | 0 | 0 | 0 | 111.2 | L76 I77 V78 M83 V84 Y193 Y196 | L76-N80 VanDerWaalsContact O-CB 3.32Å; L76-N80 WeakPolarHBondContact O-CB 3.37Å; L76-N80 PolarHBondContact O-N 3.35Å; L76-N80 PolarHBondContact O-ND2 2.86Å; I77-N80 PolarHBondContact O-N 3.31Å; V78-N80 PolarHBondContact O-N 2.88Å; N80-M83 PolarHBondContact O-N 3.47Å; N80-V84 WeakPolarHBondContact O-CG2 3.4Å; N80-V84 PolarHBondContact O-N 3.47Å; N80-Y193 WeakPolarHBondContact OD1-CD1 3.48Å; N80-Y196 WeakPolarHBondContact OD1-CB 3.4Å |
| 81 | F | 96.9 | Very high | 96.1 | Very high | 86 Ų | 86 | 61 Ų | 61 | 38% | 0.377 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68.1 | -37.5 | 176.4 | -79.9 | -66.1 | 0 | 0 | 0 | 112.7 | I77 V78 Y79 M83 V84 V85 | I77-F81 HydrophobicContact CG2-CD2 3.71Å; I77-F81 HydrophobicContact CG2-CE2 3.83Å; I77-F81 WeakPolarHBondContact O-CD2 3.36Å; I77-F81 PolarHBondContact O-N 3.3Å; V78-F81 PolarHBondContact O-N 3.21Å; Y79-F81 PolarHBondContact O-N 2.98Å; F81-M83 VanDerWaalsContact C-N 3.29Å; F81-M83 PolarHBondContact O-N 3.3Å; F81-V84 WeakPolarHBondContact O-CB 3.49Å; F81-V84 PolarHBondContact O-N 3.46Å; F81-V85 WeakPolarHBondContact O-CG2 3.43Å; F81-V85 PolarHBondContact O-N 3.02Å |
| 82 | S | 97.7 | Very high | 96.4 | Very high | 68 Ų | 68 | 58.4 Ų | 58.4 | 48% | 0.476 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61 | -39.9 | 171.6 | -64.2 | 0 | 0 | 0 | 0 | 111.7 | V78 Y79 V85 L86 | V78-S82 WeakPolarHBondContact O-CB 3.43Å; V78-S82 PolarHBondContact O-N 2.91Å; V78-S82 PolarHBondContact O-OG 3.46Å; Y79-S82 PolarHBondContact O-N 3.5Å; S82-V85 PolarHBondContact O-N 2.88Å; S82-L86 WeakPolarHBondContact O-CB 3.43Å; S82-L86 PolarHBondContact O-N 2.86Å |
| 83 | M | 97.8 | Very high | 96.7 | Very high | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.015 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.8 | -35.1 | 175.4 | -73 | -58.9 | -70.8 | 0 | 0 | 112.8 | Y79 N80 F81 L86 N87 V134 E135 Y193 | Y79-M83 HydrophobicContact CD2-CG 4.31Å; Y79-M83 HydrophobicContact CE1-CG 4.16Å; Y79-M83 HydrophobicContact CE2-CG 3.86Å; Y79-M83 HydrophobicContact CE2-SD 4.37Å; Y79-M83 WeakPolarHBondContact O-CG 3.5Å; Y79-M83 PolarHBondContact O-N 2.95Å; N80-M83 PolarHBondContact O-N 3.47Å; F81-M83 VanDerWaalsContact C-N 3.29Å; F81-M83 PolarHBondContact O-N 3.3Å; M83-L86 HydrophobicContact SD-CD2 4.25Å; M83-N87 WeakPolarHBondContact O-CB 3.36Å; M83-N87 PolarHBondContact O-N 3.36Å; M83-N87 PolarHBondContact O-ND2 3.47Å; M83-V134 HydrophobicContact SD-CB 4.23Å; M83-V134 HydrophobicContact SD-CG1 3.57Å; M83-V134 VanDerWaalsContact SD-CG1 3.57Å; M83-E135 HydrophobicContact CE-CG 3.49Å; M83-E135 VanDerWaalsContact CE-CG 3.49Å; M83-Y193 HydrophobicContact CB-CD1 3.76Å; M83-Y193 HydrophobicContact CB-CD2 3.68Å; M83-Y193 HydrophobicContact CB-CE1 4.17Å; M83-Y193 HydrophobicContact CB-CE2 4.07Å; M83-Y193 HydrophobicContact CB-CG 3.54Å; M83-Y193 HydrophobicContact CE-CD2 4.29Å; M83-Y193 HydrophobicContact CE-CE2 3.6Å; M83-Y193 HydrophobicContact CG-CD1 4.22Å; M83-Y193 HydrophobicContact CG-CE1 4.17Å; M83-Y193 HydrophobicContact CG-CE2 4.45Å; M83-Y193 HydrophobicContact CG-CG 4.42Å |
| 84 | V | 98.1 | Very high | 97 | Very high | 29 Ų | 29 | 51.2 Ų | 51.2 | 18% | 0.176 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.9 | -49.7 | 170.6 | 169.2 | 0 | 0 | 0 | 0 | 110.4 | N80 F81 L86 N87 F88 V190 | N80-V84 WeakPolarHBondContact O-CG2 3.4Å; N80-V84 PolarHBondContact O-N 3.47Å; F81-V84 WeakPolarHBondContact O-CB 3.49Å; F81-V84 PolarHBondContact O-N 3.46Å; V84-L86 PolarHBondContact O-N 3.24Å; V84-N87 PolarHBondContact O-N 3.11Å; V84-F88 WeakPolarHBondContact O-CB 3.48Å; V84-F88 PolarHBondContact O-N 3.01Å; V84-V190 HydrophobicContact CG1-CG1 4.25Å |
| 85 | V | 98.3 | Very high | 97.1 | Very high | 99 Ų | 99 | 46.7 Ų | 46.7 | 60% | 0.6 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -62 | -46.1 | -179.7 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | F81 S82 F88 Y89 | F81-V85 WeakPolarHBondContact O-CG2 3.43Å; F81-V85 PolarHBondContact O-N 3.02Å; S82-V85 PolarHBondContact O-N 2.88Å; V85-F88 PolarHBondContact O-N 2.92Å; V85-Y89 WeakPolarHBondContact O-CB 3.42Å; V85-Y89 PolarHBondContact O-N 3.24Å |
| 86 | L | 98.1 | Very high | 97.2 | Very high | 33 Ų | 33 | 47.1 Ų | 47.1 | 17% | 0.173 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.7 | -49.8 | 179 | 177.4 | 60.1 | 0 | 0 | 0 | 111.7 | S82 M83 V84 F88 Y89 I90 W127 | S82-L86 WeakPolarHBondContact O-CB 3.43Å; S82-L86 PolarHBondContact O-N 2.86Å; M83-L86 HydrophobicContact SD-CD2 4.25Å; V84-L86 PolarHBondContact O-N 3.24Å; L86-F88 VanDerWaalsContact C-N 3.33Å; L86-F88 PolarHBondContact O-N 3.08Å; L86-Y89 WeakPolarHBondContact O-CB 3.06Å; L86-Y89 PolarHBondContact O-N 3.34Å; L86-I90 HydrophobicContact CD1-CD1 4.05Å; L86-I90 HydrophobicContact CG-CD1 3.98Å; L86-I90 WeakPolarHBondContact O-CD1 3.44Å; L86-I90 VanDerWaalsContact O-CG1 3.31Å; L86-I90 WeakPolarHBondContact O-CG1 3.31Å; L86-I90 PolarHBondContact O-N 3.43Å; L86-W127 HydrophobicContact CD1-CD2 4.43Å; L86-W127 HydrophobicContact CD1-CE3 3.75Å; L86-W127 HydrophobicContact CD1-CZ3 4.28Å |
| 87 | N | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.4 | -32.9 | 179.9 | -78.8 | -78.6 | 0 | 0 | 0 | 112.5 | M83 V84 I90 A91 H189 V190 | M83-N87 WeakPolarHBondContact O-CB 3.36Å; M83-N87 PolarHBondContact O-N 3.36Å; M83-N87 PolarHBondContact O-ND2 3.47Å; V84-N87 PolarHBondContact O-N 3.11Å; N87-I90 PolarHBondContact O-N 3Å; N87-A91 WeakPolarHBondContact O-CB 3.5Å; N87-A91 PolarHBondContact O-N 3.25Å; N87-H189 HydrophobicContact CB-CB 4.1Å; N87-H189 VanDerWaalsContact CG-CB 3.49Å; N87-H189 WeakPolarHBondContact OD1-CB 3.49Å; N87-V190 HydrophobicContact CB-CG2 3.75Å |
| 88 | F | 98.3 | Very high | 97.3 | Very high | 124 Ų | 124 | 44.7 Ų | 44.7 | 54% | 0.544 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66 | -43.9 | 174.1 | 179 | -101.5 | 0 | 0 | 0 | 111.3 | V84 V85 L86 I90 A91 K92 V190 | V84-F88 WeakPolarHBondContact O-CB 3.48Å; V84-F88 PolarHBondContact O-N 3.01Å; V85-F88 PolarHBondContact O-N 2.92Å; L86-F88 VanDerWaalsContact C-N 3.33Å; L86-F88 PolarHBondContact O-N 3.08Å; F88-I90 PolarHBondContact O-N 2.92Å; F88-A91 PolarHBondContact O-N 2.87Å; F88-K92 HydrophobicContact CE1-CD 4.48Å; F88-K92 WeakPolarHBondContact O-CB 3.24Å; F88-K92 PolarHBondContact O-N 3.08Å; F88-V190 HydrophobicContact CB-CG2 3.86Å; F88-V190 VanDerWaalsContact N-CG2 3.28Å |
| 89 | Y | 98.3 | Very high | 97.2 | Very high | 89 Ų | 89 | 49.7 Ų | 49.7 | 35% | 0.349 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57.1 | -49.2 | 173.9 | 168.9 | -99.1 | 0 | 0 | 0 | 111.3 | V85 L86 K92 E93 W127 | V85-Y89 WeakPolarHBondContact O-CB 3.42Å; V85-Y89 PolarHBondContact O-N 3.24Å; L86-Y89 WeakPolarHBondContact O-CB 3.06Å; L86-Y89 PolarHBondContact O-N 3.34Å; Y89-K92 PolarHBondContact O-N 3.39Å; Y89-E93 HydrophobicContact CD2-CG 3.99Å; Y89-E93 HydrophobicContact CE1-CG 4.26Å; Y89-E93 HydrophobicContact CE2-CG 3.54Å; Y89-E93 WeakPolarHBondContact O-CB 3.12Å; Y89-E93 WeakPolarHBondContact O-CG 3.5Å; Y89-E93 PolarHBondContact O-N 2.97Å; Y89-W127 AromaticContact CE1-CD1 3.66Å; Y89-W127 AromaticContact CE1-CG 4Å; Y89-W127 HydrophobicContact CE1-CG 4Å; Y89-W127 AromaticContact CE1-NE1 3.97Å |
| 90 | I | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60 | -51 | 178.7 | -65.8 | 157.7 | 0 | 0 | 0 | 111.1 | L86 N87 F88 K92 E93 L94 W127 Y128 S186 | L86-I90 HydrophobicContact CD1-CD1 4.05Å; L86-I90 HydrophobicContact CG-CD1 3.98Å; L86-I90 WeakPolarHBondContact O-CD1 3.44Å; L86-I90 VanDerWaalsContact O-CG1 3.31Å; L86-I90 WeakPolarHBondContact O-CG1 3.31Å; L86-I90 PolarHBondContact O-N 3.43Å; N87-I90 PolarHBondContact O-N 3Å; F88-I90 PolarHBondContact O-N 2.92Å; I90-K92 VanDerWaalsContact C-N 3.34Å; I90-K92 PolarHBondContact O-N 3.02Å; I90-E93 PolarHBondContact O-N 3.25Å; I90-L94 HydrophobicContact CG2-CD1 3.78Å; I90-L94 HydrophobicContact CG2-CG 4.35Å; I90-L94 WeakPolarHBondContact O-CB 3.47Å; I90-L94 WeakPolarHBondContact O-CG 3.22Å; I90-L94 PolarHBondContact O-N 3.39Å; I90-W127 HydrophobicContact CD1-CB 4.19Å; I90-W127 HydrophobicContact CG1-CB 3.8Å; I90-Y128 HydrophobicContact CG2-CD2 4.17Å; I90-S186 WeakPolarHBondContact CG2-OG 3.33Å |
| 91 | A | 97.9 | Very high | 97 | Very high | 10 Ų | 10 | 52.9 Ų | 52.9 | 8% | 0.083 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.4 | -42.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | N87 F88 L95 | N87-A91 WeakPolarHBondContact O-CB 3.5Å; N87-A91 PolarHBondContact O-N 3.25Å; F88-A91 PolarHBondContact O-N 2.87Å; A91-L95 VanDerWaalsContact O-CB 3.26Å; A91-L95 WeakPolarHBondContact O-CB 3.41Å; A91-L95 PolarHBondContact O-N 3.07Å |
| 92 | K | 97.8 | Very high | 96.8 | Very high | 92 Ų | 92 | 51.7 Ų | 51.7 | 40% | 0.4 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.9 | -50.5 | 176 | 176.7 | -162.3 | 158.2 | -163.3 | 0 | 111.1 | F88 Y89 I90 L95 L96 | F88-K92 HydrophobicContact CE1-CD 4.48Å; F88-K92 WeakPolarHBondContact O-CB 3.24Å; F88-K92 PolarHBondContact O-N 3.08Å; Y89-K92 PolarHBondContact O-N 3.39Å; I90-K92 VanDerWaalsContact C-N 3.34Å; I90-K92 PolarHBondContact O-N 3.02Å; K92-L95 PolarHBondContact O-N 3.25Å; K92-L96 HydrophobicContact CD-CD1 4.31Å; K92-L96 HydrophobicContact CG-CD1 3.75Å; K92-L96 HydrophobicContact CG-CG 4.28Å; K92-L96 WeakPolarHBondContact O-CB 3.45Å; K92-L96 WeakPolarHBondContact O-CG 3.15Å; K92-L96 PolarHBondContact O-N 3.33Å |
| 93 | E | 97.4 | Very high | 96.6 | Very high | 21 Ų | 21 | 49.1 Ų | 49.1 | 10% | 0.098 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.5 | -43.7 | -177.7 | -76.2 | -57.3 | 122 | 0 | 0 | 111.5 | Y89 I90 L95 L96 A97 R120 A124 | Y89-E93 HydrophobicContact CD2-CG 3.99Å; Y89-E93 HydrophobicContact CE1-CG 4.26Å; Y89-E93 HydrophobicContact CE2-CG 3.54Å; Y89-E93 WeakPolarHBondContact O-CB 3.12Å; Y89-E93 WeakPolarHBondContact O-CG 3.5Å; Y89-E93 PolarHBondContact O-N 2.97Å; I90-E93 PolarHBondContact O-N 3.25Å; E93-L95 VanDerWaalsContact C-N 3.33Å; E93-L95 PolarHBondContact O-N 3.07Å; E93-L96 PolarHBondContact O-N 3.29Å; E93-A97 WeakPolarHBondContact O-CB 3.49Å; E93-A97 PolarHBondContact O-N 2.6Å; E93-R120 IonicContact OE1-NH2 3.34Å; E93-R120 PolarHBondContact OE1-NH2 2.92Å; E93-R120 IonicContact OE2-CZ 3.46Å; E93-R120 IonicContact OE2-NE 3.18Å; E93-R120 PolarHBondContact OE2-NE 3.3Å; E93-R120 VanDerWaalsContact OE2-NE 3.15Å; E93-R120 IonicContact OE2-NH2 3.82Å; E93-R120 PolarHBondContact OE2-NH2 3.46Å; E93-A124 HydrophobicContact CB-CB 3.82Å |
| 94 | L | 96.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 175 | -70.3 | 172.3 | 0 | 0 | 0 | 111.6 | I90 S98 I121 A124 L125 F179 A182 T183 | I90-L94 HydrophobicContact CG2-CD1 3.78Å; I90-L94 HydrophobicContact CG2-CG 4.35Å; I90-L94 WeakPolarHBondContact O-CB 3.47Å; I90-L94 WeakPolarHBondContact O-CG 3.22Å; I90-L94 PolarHBondContact O-N 3.39Å; L94-S98 WeakPolarHBondContact O-CB 3.31Å; L94-S98 PolarHBondContact O-N 3.46Å; L94-S98 PolarHBondContact O-OG 2.84Å; L94-I121 HydrophobicContact CD2-CG2 4.19Å; L94-A124 HydrophobicContact CD2-CB 3.69Å; L94-A124 HydrophobicContact CG-CB 3.77Å; L94-L125 HydrophobicContact CD1-CD2 4.29Å; L94-L125 HydrophobicContact CD2-CD2 3.83Å; L94-L125 HydrophobicContact CD2-CG 3.9Å; L94-F179 HydrophobicContact CD2-CB 4.44Å; L94-A182 HydrophobicContact CD1-CB 3.7Å; L94-T183 VanDerWaalsContact CB-OG1 3.25Å; L94-T183 WeakPolarHBondContact CB-OG1 3.45Å |
| 95 | L | 96.2 | Very high | 95.8 | Very high | 83 Ų | 83 | 55.2 Ų | 55.2 | 44% | 0.435 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.3 | -46.5 | 179.6 | -175.3 | 68.1 | 0 | 0 | 0 | 112.4 | A91 K92 E93 S98 R99 | A91-L95 VanDerWaalsContact O-CB 3.26Å; A91-L95 WeakPolarHBondContact O-CB 3.41Å; A91-L95 PolarHBondContact O-N 3.07Å; K92-L95 PolarHBondContact O-N 3.25Å; E93-L95 VanDerWaalsContact C-N 3.33Å; E93-L95 PolarHBondContact O-N 3.07Å; L95-S98 PolarHBondContact O-OG 3.36Å; L95-R99 VanDerWaalsContact O-CB 3.27Å; L95-R99 WeakPolarHBondContact O-CB 3.32Å; L95-R99 PolarHBondContact O-N 3.48Å; L95-R99 VanDerWaalsContact O-N 3.16Å |
| 96 | L | 96.7 | Very high | 95.2 | Very high | 80 Ų | 80 | 55.2 Ų | 55.2 | 42% | 0.419 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -72.4 | -43.3 | -177.3 | -67.6 | -179.9 | 0 | 0 | 0 | 112 | K92 E93 A100 | K92-L96 HydrophobicContact CD-CD1 4.31Å; K92-L96 HydrophobicContact CG-CD1 3.75Å; K92-L96 HydrophobicContact CG-CG 4.28Å; K92-L96 WeakPolarHBondContact O-CB 3.45Å; K92-L96 WeakPolarHBondContact O-CG 3.15Å; K92-L96 PolarHBondContact O-N 3.33Å; E93-L96 PolarHBondContact O-N 3.29Å; L96-A100 VanDerWaalsContact O-CB 3.32Å; L96-A100 WeakPolarHBondContact O-CB 3.31Å; L96-A100 PolarHBondContact O-N 2.72Å |
| 97 | A | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -70.5 | -41.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E93 R99 A100 A101 R120 I121 | E93-A97 WeakPolarHBondContact O-CB 3.49Å; E93-A97 PolarHBondContact O-N 2.6Å; A97-R99 PolarHBondContact O-N 2.79Å; A97-A100 PolarHBondContact O-N 3.29Å; A97-A101 VanDerWaalsContact O-CB 3.3Å; A97-A101 WeakPolarHBondContact O-CB 3.17Å; A97-A101 PolarHBondContact O-N 3.21Å; A97-R120 HydrophobicContact CB-CB 3.87Å; A97-I121 HydrophobicContact CB-CD1 4.37Å; A97-I121 HydrophobicContact CB-CG1 3.6Å |
| 98 | S | 95.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.007 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 174.7 | 62.3 | 0 | 0 | 0 | 0 | 112.3 | L94 L95 A101 G102 Y103 | L94-S98 WeakPolarHBondContact O-CB 3.31Å; L94-S98 PolarHBondContact O-N 3.46Å; L94-S98 PolarHBondContact O-OG 2.84Å; L95-S98 PolarHBondContact O-OG 3.36Å; S98-A101 PolarHBondContact O-N 3.38Å; S98-G102 PolarHBondContact O-N 3.34Å; S98-G102 VanDerWaalsContact O-N 3.13Å; S98-Y103 WeakPolarHBondContact O-CB 3.4Å; S98-Y103 PolarHBondContact O-N 3.18Å |
| 99 | R | 95 | Very high | 94.3 | Very high | 198 Ų | 198 | 53.2 Ų | 53.2 | 75% | 0.747 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -65.2 | -42.2 | 175.2 | -173.3 | 175.9 | -178 | 176.4 | 1.1 | 112.1 | L95 A97 A101 G102 | L95-R99 VanDerWaalsContact O-CB 3.27Å; L95-R99 WeakPolarHBondContact O-CB 3.32Å; L95-R99 PolarHBondContact O-N 3.48Å; L95-R99 VanDerWaalsContact O-N 3.16Å; A97-R99 PolarHBondContact O-N 2.79Å; R99-A101 VanDerWaalsContact C-N 3.33Å; R99-G102 PolarHBondContact O-N 2.86Å |
| 100 | A | 95.1 | Very high | 93.9 | Very high | 62 Ų | 62 | 49.8 Ų | 49.8 | 51% | 0.512 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.8 | -34.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L96 A97 G102 N117 | L96-A100 VanDerWaalsContact O-CB 3.32Å; L96-A100 WeakPolarHBondContact O-CB 3.31Å; L96-A100 PolarHBondContact O-N 2.72Å; A97-A100 PolarHBondContact O-N 3.29Å; A100-G102 VanDerWaalsContact C-N 3.25Å; A100-G102 PolarHBondContact O-N 3.09Å; A100-N117 WeakPolarHBondContact CB-OD1 3.37Å |
| 101 | A | 92.8 | Very high | 93.6 | Very high | 32 Ų | 32 | 52.8 Ų | 52.8 | 26% | 0.264 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -5.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A97 S98 R99 Y103 N117 I121 | A97-A101 VanDerWaalsContact O-CB 3.3Å; A97-A101 WeakPolarHBondContact O-CB 3.17Å; A97-A101 PolarHBondContact O-N 3.21Å; S98-A101 PolarHBondContact O-N 3.38Å; R99-A101 VanDerWaalsContact C-N 3.33Å; A101-Y103 HydrophobicContact CB-CD1 3.61Å; A101-Y103 HydrophobicContact CB-CE1 3.75Å; A101-N117 HydrophobicContact CB-CB 3.86Å; A101-I121 HydrophobicContact CB-CD1 4.27Å |
| 102 | G | 93.4 | Very high | 93.3 | Very high | 62 Ų | 62 | 57.5 Ų | 57.5 | 64% | 0.639 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.2 | 32.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S98 R99 A100 | S98-G102 PolarHBondContact O-N 3.34Å; S98-G102 VanDerWaalsContact O-N 3.13Å; R99-G102 PolarHBondContact O-N 2.86Å; A100-G102 VanDerWaalsContact C-N 3.25Å; A100-G102 PolarHBondContact O-N 3.09Å |
| 103 | Y | 93.4 | Very high | 93.1 | Very high | 13 Ų | 13 | 55.3 Ų | 55.3 | 5% | 0.051 | 30% | 0.303 | C | S | . | . | trans | -61.5 | 137.4 | -178.5 | -88.5 | 27.4 | 0 | 0 | 0 | 112.4 | S98 A101 Q108 E118 I121 G176 F179 | S98-Y103 WeakPolarHBondContact O-CB 3.4Å; S98-Y103 PolarHBondContact O-N 3.18Å; A101-Y103 HydrophobicContact CB-CD1 3.61Å; A101-Y103 HydrophobicContact CB-CE1 3.75Å; Y103-Q108 HydrophobicContact CD1-CG 4.07Å; Y103-Q108 HydrophobicContact CD2-CG 3.56Å; Y103-Q108 HydrophobicContact CE1-CG 4.19Å; Y103-Q108 HydrophobicContact CE2-CG 3.66Å; Y103-Q108 HydrophobicContact CG-CG 3.74Å; Y103-E118 WeakPolarHBondContact CE1-OE1 3.25Å; Y103-E118 PolarHBondContact OH-OE2 3.43Å; Y103-I121 HydrophobicContact CD1-CD1 4.3Å; Y103-I121 HydrophobicContact CD2-CD1 4.23Å; Y103-I121 HydrophobicContact CE1-CD1 3.71Å; Y103-I121 HydrophobicContact CE2-CD1 3.67Å; Y103-G176 PolarHBondContact OH-N 3.21Å; Y103-F179 AromaticContact CD2-CD1 3.74Å; Y103-F179 HydrophobicContact CD2-CD1 3.74Å; Y103-F179 HydrophobicContact CD2-CD2 4.3Å; Y103-F179 AromaticContact CD2-CE1 3.83Å; Y103-F179 HydrophobicContact CD2-CE1 3.83Å; Y103-F179 HydrophobicContact CD2-CE2 4.4Å; Y103-F179 AromaticContact CD2-CG 3.95Å; Y103-F179 HydrophobicContact CD2-CG 3.95Å; Y103-F179 HydrophobicContact CD2-CZ 4.17Å; Y103-F179 HydrophobicContact CE2-CB 4.45Å; Y103-F179 HydrophobicContact CE2-CD1 4.14Å; Y103-F179 HydrophobicContact CE2-CG 4.25Å | ||
| 104 | S | 90.8 | Very high | 92.8 | Very high | 51 Ų | 51 | 60.6 Ų | 60.6 | 36% | 0.357 | 33% | 0.332 | S | S | . | . | trans | -80 | 128 | 166.7 | 173.7 | 0 | 0 | 0 | 0 | 110.4 | L106 C107 | S104-L106 PolarHBondContact O-N 3.09Å; S104-L106 PolarHBondContact OG-N 3.39Å; S104-C107 VanDerWaalsContact CB-O 3.23Å; S104-C107 WeakPolarHBondContact CB-O 3.45Å; S104-C107 PolarHBondContact OG-N 3.07Å; S104-C107 PolarHBondContact OG-O 2.98Å | ||
| 105 | Y | 87.4 | Confident | 92.7 | Very high | 110 Ų | 110 | 63.9 Ų | 63.9 | 43% | 0.431 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -70.8 | -18.8 | 175.3 | -71.2 | -86.2 | 0 | 0 | 0 | 113 | F179 F180 H229 | Y105-F179 HydrophobicContact CD1-CE2 4.25Å; Y105-F179 AromaticContact CD1-CZ 3.8Å; Y105-F179 HydrophobicContact CD1-CZ 3.8Å; Y105-F179 AromaticContact CE1-CE2 3.96Å; Y105-F179 HydrophobicContact CE1-CE2 3.96Å; Y105-F179 AromaticContact CE1-CZ 3.97Å; Y105-F179 HydrophobicContact CE1-CZ 3.97Å; Y105-F179 HydrophobicContact CG-CZ 4.45Å; Y105-F180 HydrophobicContact CD1-CD2 4.11Å; Y105-F180 HydrophobicContact CD1-CE2 4.34Å; Y105-H229 PolarHBondContact O-CD2 3.18Å; Y105-H229 PolarHBondContact O-NE2 3.07Å |
| 106 | L | 87.2 | Confident | 92.6 | Very high | 99 Ų | 99 | 64.8 Ų | 64.8 | 52% | 0.518 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -90.6 | -50.5 | -176.3 | -70.9 | 175.1 | 0 | 0 | 0 | 112 | S104 Q177 Y232 | S104-L106 PolarHBondContact O-N 3.09Å; S104-L106 PolarHBondContact OG-N 3.39Å; L106-Q177 PolarHBondContact O-NE2 2.84Å; L106-Y232 HydrophobicContact CB-CE1 3.98Å; L106-Y232 HydrophobicContact CD2-CE1 4.06Å |
| 107 | C | 90 | Very high | 92.6 | Very high | 36 Ų | 36 | 62.6 Ų | 62.6 | 24% | 0.243 | 35% | 0.347 | C | S | . | . | trans | -145.6 | 117.4 | -179 | 164.5 | 0 | 0 | 0 | 0 | 109.6 | S104 C238 | S104-C107 VanDerWaalsContact CB-O 3.23Å; S104-C107 WeakPolarHBondContact CB-O 3.45Å; S104-C107 PolarHBondContact OG-N 3.07Å; S104-C107 PolarHBondContact OG-O 2.98Å; C107-C238 VanDerWaalsContact C-SG 3.58Å; C107-C238 WeakPolarHBondContact CA-SG 3.5Å; C107-C238 HydrophobicContact CB-CB 3.87Å; C107-C238 WeakPolarHBondContact CB-SG 3.43Å; C107-C238 WeakPolarHBondContact SG-CA 3.43Å; C107-C238 WeakPolarHBondContact SG-CB 3.18Å; C107-C238 CovalentContact SG-SG 2.03Å; C107-C238 PolarHBondContact SG-SG 3.21Å | ||
| 108 | Q | 92.6 | Very high | 92.5 | Very high | 26 Ų | 26 | 63 Ų | 63 | 12% | 0.121 | 35% | 0.349 | C | S | . | . | trans | -134.4 | 114.4 | -177 | -174.3 | 62.4 | 36.4 | 0 | 0 | 111.2 | Y103 Q177 C238 | Y103-Q108 HydrophobicContact CD1-CG 4.07Å; Y103-Q108 HydrophobicContact CD2-CG 3.56Å; Y103-Q108 HydrophobicContact CE1-CG 4.19Å; Y103-Q108 HydrophobicContact CE2-CG 3.66Å; Y103-Q108 HydrophobicContact CG-CG 3.74Å; Q108-Q177 HydrophobicContact CB-CG 4.38Å; Q108-Q177 WeakPolarHBondContact O-CG 3.21Å; Q108-Q177 PolarHBondContact O-N 3.26Å; Q108-C238 PolarHBondContact N-SG 3.49Å | ||
| 109 | P | 91.6 | Very high | 92.5 | Very high | 52 Ų | 52 | 65.1 Ų | 65.1 | 34% | 0.338 | 36% | 0.362 | S | S | . | . | trans | -67.1 | 162.7 | 171.5 | 27.8 | -33.1 | 0 | 0 | 0 | 111.3 | G176 P239 | P109-G176 VanDerWaalsContact O-CA 3.31Å; P109-G176 WeakPolarHBondContact O-CA 3.45Å; P109-P239 WeakPolarHBondContact CA-O 3.33Å; P109-P239 HydrophobicContact CB-CB 4.46Å; P109-P239 HydrophobicContact CB-CG 4.09Å; P109-P239 VanDerWaalsContact CB-O 3.31Å; P109-P239 WeakPolarHBondContact CB-O 3.47Å; P109-P239 HydrophobicContact CG-CG 4.43Å | ||
| 110 | V | 91.3 | Very high | 92.6 | Very high | 18 Ų | 18 | 59.7 Ų | 59.7 | 11% | 0.109 | 34% | 0.342 | C | S | . | . | trans | -82.7 | 127.2 | 170.8 | -174.9 | 0 | 0 | 0 | 0 | 108.4 | Y112 V173 F240 | V110-Y112 HydrophobicContact CB-CE2 3.89Å; V110-Y112 HydrophobicContact CG1-CD1 4.1Å; V110-Y112 HydrophobicContact CG1-CD2 4.22Å; V110-Y112 HydrophobicContact CG1-CE1 3.6Å; V110-Y112 HydrophobicContact CG1-CE2 3.74Å; V110-Y112 HydrophobicContact CG1-CG 4.38Å; V110-V173 HydrophobicContact CB-CG1 4.49Å; V110-V173 HydrophobicContact CG2-CG1 3.33Å; V110-F240 HydrophobicContact CG2-CD2 3.6Å; V110-F240 HydrophobicContact CG2-CE2 3.42Å; V110-F240 VanDerWaalsContact CG2-CE2 3.42Å; V110-F240 HydrophobicContact CG2-CZ 4.45Å | ||
| 111 | N | 91.7 | Very high | 92.7 | Very high | 62 Ų | 62 | 56.8 Ų | 56.8 | 33% | 0.332 | 32% | 0.317 | S | S | . | . | trans | -103.5 | 115.4 | 173.6 | 178.5 | -2.7 | 0 | 0 | 0 | 108.9 | R33 S113 E118 | R33-N111 PolarHBondContact NH1-O 2.89Å; R33-N111 PolarHBondContact NH2-O 3.46Å; N111-S113 VanDerWaalsContact C-N 3.31Å; N111-S113 PolarHBondContact ND2-OG 3.35Å; N111-S113 WeakPolarHBondContact OD1-CB 3.33Å; N111-S113 PolarHBondContact OD1-N 3.31Å; N111-S113 PolarHBondContact OD1-OG 3.37Å; N111-E118 VanDerWaalsContact CB-CD 3.47Å; N111-E118 HydrophobicContact CB-CG 4.05Å; N111-E118 VanDerWaalsContact CB-OE1 3.29Å; N111-E118 WeakPolarHBondContact CB-OE1 3.43Å; N111-E118 PolarHBondContact ND2-OE1 3.07Å | ||
| 112 | Y | 91.6 | Very high | 92.9 | Very high | 110 Ų | 110 | 55.2 Ų | 55.2 | 43% | 0.431 | 31% | 0.305 | S | S | . | . | trans | -90 | 10.3 | -177.9 | -62.8 | -79.2 | 0 | 0 | 0 | 113.5 | D31 V110 W172 | D31-Y112 HydrophobicContact CB-CD1 4.33Å; D31-Y112 HydrophobicContact CB-CE1 4.37Å; D31-Y112 VanDerWaalsContact OD2-CD1 3.29Å; D31-Y112 WeakPolarHBondContact OD2-CD1 3.29Å; V110-Y112 HydrophobicContact CB-CE2 3.89Å; V110-Y112 HydrophobicContact CG1-CD1 4.1Å; V110-Y112 HydrophobicContact CG1-CD2 4.22Å; V110-Y112 HydrophobicContact CG1-CE1 3.6Å; V110-Y112 HydrophobicContact CG1-CE2 3.74Å; V110-Y112 HydrophobicContact CG1-CG 4.38Å; Y112-W172 WeakPolarHBondContact CE1-O 3.39Å; Y112-W172 PolarHBondContact OH-O 3.09Å | ||
| 113 | S | 92.4 | Very high | 93.1 | Very high | 45 Ų | 45 | 53.8 Ų | 53.8 | 32% | 0.315 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -68.4 | 161.3 | 175.9 | 66.8 | 0 | 0 | 0 | 0 | 112.3 | R33 N111 D115 | R33-S113 WeakPolarHBondContact CD-O 3.33Å; R33-S113 PolarHBondContact NH1-O 3.19Å; N111-S113 VanDerWaalsContact C-N 3.31Å; N111-S113 PolarHBondContact ND2-OG 3.35Å; N111-S113 WeakPolarHBondContact OD1-CB 3.33Å; N111-S113 PolarHBondContact OD1-N 3.31Å; N111-S113 PolarHBondContact OD1-OG 3.37Å; S113-D115 PolarHBondContact O-N 2.69Å |
| 114 | N | 91.9 | Very high | 93.2 | Very high | 133 Ų | 133 | 53.2 Ų | 53.2 | 71% | 0.711 | 28% | 0.283 | S | S | * | . | trans | -83.8 | 23.9 | 171.4 | -68.2 | -46 | 0 | 0 | 0 | 112.4 | R33 | R33-N114 WeakPolarHBondContact CG-OD1 3.45Š| ||
| 115 | D | 94.2 | Very high | 93.6 | Very high | 69 Ų | 69 | 50.8 Ų | 50.8 | 37% | 0.369 | 27% | 0.266 | S | S | . | . | trans | -57.6 | 140.3 | 171.7 | 177.8 | -97.3 | 0 | 0 | 0 | 110.2 | S113 N117 E118 V119 | S113-D115 PolarHBondContact O-N 2.69Å; D115-N117 PolarHBondContact O-N 3.15Å; D115-N117 WeakPolarHBondContact OD1-CA 3.39Å; D115-N117 VanDerWaalsContact OD1-CB 3.3Å; D115-N117 WeakPolarHBondContact OD1-CB 3.34Å; D115-N117 PolarHBondContact OD1-N 2.87Å; D115-N117 PolarHBondContact OD1-ND2 3.4Å; D115-E118 HydrophobicContact CB-CB 4.22Å; D115-E118 HydrophobicContact CB-CG 3.86Å; D115-E118 PolarHBondContact O-N 3.43Å; D115-E118 PolarHBondContact OD1-N 2.74Å; D115-V119 WeakPolarHBondContact O-CG2 3.4Å; D115-V119 PolarHBondContact O-N 3.5Å | ||
| 116 | V | 95.3 | Very high | 94 | Very high | 102 Ų | 102 | 46.7 Ų | 46.7 | 62% | 0.618 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -59.5 | -37.7 | -174.1 | 178.4 | 0 | 0 | 0 | 0 | 111.1 | R120 | V116-R120 WeakPolarHBondContact O-CB 3.27Å; V116-R120 WeakPolarHBondContact O-CG 3.26Å; V116-R120 PolarHBondContact O-N 3.5Å |
| 117 | N | 95.5 | Very high | 94.6 | Very high | 33 Ų | 33 | 46.2 Ų | 46.2 | 18% | 0.176 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -75.7 | -37.9 | -179.3 | -57.4 | -59.6 | 0 | 0 | 0 | 111.6 | A100 A101 D115 R120 I121 | A100-N117 WeakPolarHBondContact CB-OD1 3.37Å; A101-N117 HydrophobicContact CB-CB 3.86Å; D115-N117 PolarHBondContact O-N 3.15Å; D115-N117 WeakPolarHBondContact OD1-CA 3.39Å; D115-N117 VanDerWaalsContact OD1-CB 3.3Å; D115-N117 WeakPolarHBondContact OD1-CB 3.34Å; D115-N117 PolarHBondContact OD1-N 2.87Å; D115-N117 PolarHBondContact OD1-ND2 3.4Å; N117-R120 WeakPolarHBondContact O-CB 3.3Å; N117-R120 PolarHBondContact O-N 2.87Å; N117-I121 VanDerWaalsContact O-CG1 3.3Å; N117-I121 WeakPolarHBondContact O-CG1 3.41Å; N117-I121 PolarHBondContact O-N 3.33Å |
| 118 | E | 94.6 | Very high | 94.9 | Very high | 8 Ų | 8 | 44.8 Ų | 44.8 | 4% | 0.037 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.2 | -42.2 | 176 | -60.6 | -66.9 | 177.8 | 0 | 0 | 111.8 | Y103 N111 D115 R120 I121 A122 | Y103-E118 WeakPolarHBondContact CE1-OE1 3.25Å; Y103-E118 PolarHBondContact OH-OE2 3.43Å; N111-E118 VanDerWaalsContact CB-CD 3.47Å; N111-E118 HydrophobicContact CB-CG 4.05Å; N111-E118 VanDerWaalsContact CB-OE1 3.29Å; N111-E118 WeakPolarHBondContact CB-OE1 3.43Å; N111-E118 PolarHBondContact ND2-OE1 3.07Å; D115-E118 HydrophobicContact CB-CB 4.22Å; D115-E118 HydrophobicContact CB-CG 3.86Å; D115-E118 PolarHBondContact O-N 3.43Å; D115-E118 PolarHBondContact OD1-N 2.74Å; E118-R120 VanDerWaalsContact C-N 3.32Å; E118-R120 PolarHBondContact O-N 2.91Å; E118-I121 PolarHBondContact O-N 2.88Å; E118-A122 WeakPolarHBondContact O-CB 3.44Å; E118-A122 PolarHBondContact O-N 3.43Å |
| 119 | V | 95.8 | Very high | 95.1 | Very high | 47 Ų | 47 | 43.5 Ų | 43.5 | 29% | 0.285 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.9 | -36.5 | 174.9 | 176.8 | 0 | 0 | 0 | 0 | 111 | W37 D115 A122 S123 | W37-V119 HydrophobicContact CZ2-CG1 4.46Å; D115-V119 WeakPolarHBondContact O-CG2 3.4Å; D115-V119 PolarHBondContact O-N 3.5Å; V119-A122 PolarHBondContact O-N 3.5Å; V119-S123 WeakPolarHBondContact O-CB 3.2Å; V119-S123 PolarHBondContact O-N 3.45Å |
| 120 | R | 96.3 | Very high | 95.4 | Very high | 84 Ų | 84 | 42.5 Ų | 42.5 | 32% | 0.317 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.4 | -41.2 | 173.4 | -77.3 | 175.2 | 70.3 | -169.8 | 5.6 | 112.4 | E93 A97 V116 N117 E118 S123 A124 | E93-R120 IonicContact OE1-NH2 3.34Å; E93-R120 PolarHBondContact OE1-NH2 2.92Å; E93-R120 IonicContact OE2-CZ 3.46Å; E93-R120 IonicContact OE2-NE 3.18Å; E93-R120 PolarHBondContact OE2-NE 3.3Å; E93-R120 VanDerWaalsContact OE2-NE 3.15Å; E93-R120 IonicContact OE2-NH2 3.82Å; E93-R120 PolarHBondContact OE2-NH2 3.46Å; A97-R120 HydrophobicContact CB-CB 3.87Å; V116-R120 WeakPolarHBondContact O-CB 3.27Å; V116-R120 WeakPolarHBondContact O-CG 3.26Å; V116-R120 PolarHBondContact O-N 3.5Å; N117-R120 WeakPolarHBondContact O-CB 3.3Å; N117-R120 PolarHBondContact O-N 2.87Å; E118-R120 VanDerWaalsContact C-N 3.32Å; E118-R120 PolarHBondContact O-N 2.91Å; R120-S123 PolarHBondContact O-N 3.21Å; R120-A124 WeakPolarHBondContact O-CB 3.27Å; R120-A124 PolarHBondContact O-N 3.49Å |
| 121 | I | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.9 | -49.2 | 174.9 | -67.1 | 166.1 | 0 | 0 | 0 | 109.9 | L94 A97 A101 Y103 N117 E118 S123 A124 L125 F179 | L94-I121 HydrophobicContact CD2-CG2 4.19Å; A97-I121 HydrophobicContact CB-CD1 4.37Å; A97-I121 HydrophobicContact CB-CG1 3.6Å; A101-I121 HydrophobicContact CB-CD1 4.27Å; Y103-I121 HydrophobicContact CD1-CD1 4.3Å; Y103-I121 HydrophobicContact CD2-CD1 4.23Å; Y103-I121 HydrophobicContact CE1-CD1 3.71Å; Y103-I121 HydrophobicContact CE2-CD1 3.67Å; N117-I121 VanDerWaalsContact O-CG1 3.3Å; N117-I121 WeakPolarHBondContact O-CG1 3.41Å; N117-I121 PolarHBondContact O-N 3.33Å; E118-I121 PolarHBondContact O-N 2.88Å; I121-S123 VanDerWaalsContact C-N 3.25Å; I121-S123 PolarHBondContact O-N 2.93Å; I121-A124 PolarHBondContact O-N 2.92Å; I121-L125 HydrophobicContact CG2-CD1 4.1Å; I121-L125 HydrophobicContact CG2-CG 4.45Å; I121-L125 WeakPolarHBondContact O-CG 3.46Å; I121-L125 PolarHBondContact O-N 3.46Å; I121-F179 HydrophobicContact CG2-CB 4.48Å |
| 122 | A | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -54.8 | -43.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | W37 E118 V119 L125 W126 P174 | W37-A122 HydrophobicContact CH2-CB 3.85Å; W37-A122 HydrophobicContact CZ3-CB 4.29Å; W37-A122 WeakPolarHBondContact CZ3-O 3.22Å; E118-A122 WeakPolarHBondContact O-CB 3.44Å; E118-A122 PolarHBondContact O-N 3.43Å; V119-A122 PolarHBondContact O-N 3.5Å; A122-L125 PolarHBondContact O-N 2.87Å; A122-W126 PolarHBondContact O-N 3.48Å; A122-P174 WeakPolarHBondContact CA-O 3.35Å; A122-P174 HydrophobicContact CB-CB 3.91Å; A122-P174 HydrophobicContact CB-CG 4.37Å; A122-P174 WeakPolarHBondContact CB-O 3.24Å |
| 123 | S | 96.9 | Very high | 95.9 | Very high | 32 Ų | 32 | 34.3 Ų | 34.3 | 22% | 0.224 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.7 | -42.6 | 179.7 | -174.9 | 0 | 0 | 0 | 0 | 112.1 | W37 V119 R120 I121 L125 W126 W127 | W37-S123 VanDerWaalsContact CH2-N 3.28Å; V119-S123 WeakPolarHBondContact O-CB 3.2Å; V119-S123 PolarHBondContact O-N 3.45Å; R120-S123 PolarHBondContact O-N 3.21Å; I121-S123 VanDerWaalsContact C-N 3.25Å; I121-S123 PolarHBondContact O-N 2.93Å; S123-L125 VanDerWaalsContact C-N 3.34Å; S123-L125 PolarHBondContact O-N 3.36Å; S123-W126 PolarHBondContact O-N 3.36Å; S123-W127 VanDerWaalsContact O-CD1 3.3Å; S123-W127 PolarHBondContact O-N 2.96Å |
| 124 | A | 97.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.3 | -38 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E93 L94 R120 I121 W127 Y128 | E93-A124 HydrophobicContact CB-CB 3.82Å; L94-A124 HydrophobicContact CD2-CB 3.69Å; L94-A124 HydrophobicContact CG-CB 3.77Å; R120-A124 WeakPolarHBondContact O-CB 3.27Å; R120-A124 PolarHBondContact O-N 3.49Å; I121-A124 PolarHBondContact O-N 2.92Å; A124-W127 PolarHBondContact O-N 3.11Å; A124-Y128 PolarHBondContact O-N 3.19Å |
| 125 | L | 97.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.5 | -35.2 | 172.8 | -67 | 175.7 | 0 | 0 | 0 | 112.1 | L94 I121 A122 S123 Y128 Y129 W166 I170 A182 | L94-L125 HydrophobicContact CD1-CD2 4.29Å; L94-L125 HydrophobicContact CD2-CD2 3.83Å; L94-L125 HydrophobicContact CD2-CG 3.9Å; I121-L125 HydrophobicContact CG2-CD1 4.1Å; I121-L125 HydrophobicContact CG2-CG 4.45Å; I121-L125 WeakPolarHBondContact O-CG 3.46Å; I121-L125 PolarHBondContact O-N 3.46Å; A122-L125 PolarHBondContact O-N 2.87Å; S123-L125 VanDerWaalsContact C-N 3.34Å; S123-L125 PolarHBondContact O-N 3.36Å; L125-Y128 VanDerWaalsContact O-CB 3.27Å; L125-Y128 WeakPolarHBondContact O-CB 3.31Å; L125-Y128 PolarHBondContact O-N 2.84Å; L125-Y129 PolarHBondContact O-N 3.43Å; L125-W166 HydrophobicContact CD2-CH2 4.17Å; L125-W166 HydrophobicContact CD2-CZ3 3.97Å; L125-I170 VanDerWaalsContact C-CD1 3.43Å; L125-I170 HydrophobicContact CB-CD1 3.47Å; L125-I170 VanDerWaalsContact CB-CD1 3.47Å; L125-I170 VanDerWaalsContact O-CD1 3.3Å; L125-I170 WeakPolarHBondContact O-CD1 3.39Å; L125-A182 HydrophobicContact CD2-CB 3.56Å |
| 126 | W | 97.7 | Very high | 96.3 | Very high | 24 Ų | 24 | 25.7 Ų | 25.7 | 9% | 0.091 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.3 | -42.8 | 171.8 | 174.9 | 86.9 | 0 | 0 | 0 | 111.9 | W37 P38 A122 S123 Y128 Y129 I130 I170 | W37-W126 HydrophobicContact CD2-CG 4.48Å; W37-W126 HydrophobicContact CE3-CB 3.48Å; W37-W126 VanDerWaalsContact CE3-CB 3.48Å; W37-W126 AromaticContact CE3-CD1 3.76Å; W37-W126 HydrophobicContact CE3-CD2 4.14Å; W37-W126 AromaticContact CE3-CG 3.49Å; W37-W126 HydrophobicContact CE3-CG 3.49Å; W37-W126 VanDerWaalsContact CE3-CG 3.49Å; W37-W126 HydrophobicContact CZ3-CB 3.47Å; W37-W126 VanDerWaalsContact CZ3-CB 3.47Å; W37-W126 HydrophobicContact CZ3-CG 4.03Å; P38-W126 HydrophobicContact CB-CZ2 3.83Å; P38-W126 HydrophobicContact CG-CH2 4.09Å; P38-W126 HydrophobicContact CG-CZ2 3.73Å; P38-W126 PolarHBondContact O-NE1 3.27Å; A122-W126 PolarHBondContact O-N 3.48Å; S123-W126 PolarHBondContact O-N 3.36Å; W126-Y128 PolarHBondContact O-N 3.18Å; W126-Y129 WeakPolarHBondContact O-CB 3.43Å; W126-Y129 PolarHBondContact O-N 2.84Å; W126-Y129 VanDerWaalsContact O-N 3.11Å; W126-I130 HydrophobicContact CD2-CG1 4Å; W126-I130 HydrophobicContact CE3-CG1 4.23Å; W126-I130 HydrophobicContact CH2-CD1 4.34Å; W126-I130 HydrophobicContact CH2-CG1 3.83Å; W126-I130 HydrophobicContact CZ2-CD1 3.71Å; W126-I130 HydrophobicContact CZ2-CG1 3.55Å; W126-I130 HydrophobicContact CZ3-CG1 4.16Å; W126-I130 WeakPolarHBondContact O-CG1 3.48Å; W126-I130 PolarHBondContact O-N 3.12Å; W126-I170 HydrophobicContact CB-CG2 4.1Å |
| 127 | W | 97.9 | Very high | 96.3 | Very high | 88 Ų | 88 | 24.7 Ų | 24.7 | 33% | 0.333 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -61.3 | -35.5 | 172.2 | -84.8 | 109.5 | 0 | 0 | 0 | 112.4 | L86 Y89 I90 S123 A124 I130 S131 | L86-W127 HydrophobicContact CD1-CD2 4.43Å; L86-W127 HydrophobicContact CD1-CE3 3.75Å; L86-W127 HydrophobicContact CD1-CZ3 4.28Å; Y89-W127 AromaticContact CE1-CD1 3.66Å; Y89-W127 AromaticContact CE1-CG 4Å; Y89-W127 HydrophobicContact CE1-CG 4Å; Y89-W127 AromaticContact CE1-NE1 3.97Å; I90-W127 HydrophobicContact CD1-CB 4.19Å; I90-W127 HydrophobicContact CG1-CB 3.8Å; S123-W127 VanDerWaalsContact O-CD1 3.3Å; S123-W127 PolarHBondContact O-N 2.96Å; A124-W127 PolarHBondContact O-N 3.11Å; W127-I130 HydrophobicContact CE3-CB 4.44Å; W127-I130 HydrophobicContact CE3-CG2 4.36Å; W127-I130 HydrophobicContact CZ3-CG2 4.36Å; W127-I130 PolarHBondContact O-N 3.38Å; W127-S131 WeakPolarHBondContact O-CB 3.41Å; W127-S131 PolarHBondContact O-N 2.86Å |
| 128 | Y | 97.6 | Very high | 96.2 | Very high | 6 Ų | 6 | 23.9 Ų | 23.9 | 2% | 0.024 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.7 | -45.9 | 171.2 | -176.8 | -87.3 | 0 | 0 | 0 | 112 | I90 A124 L125 W126 S131 K132 W166 A182 N185 S186 | I90-Y128 HydrophobicContact CG2-CD2 4.17Å; A124-Y128 PolarHBondContact O-N 3.19Å; L125-Y128 VanDerWaalsContact O-CB 3.27Å; L125-Y128 WeakPolarHBondContact O-CB 3.31Å; L125-Y128 PolarHBondContact O-N 2.84Å; W126-Y128 PolarHBondContact O-N 3.18Å; Y128-S131 WeakPolarHBondContact O-CB 3.44Å; Y128-S131 PolarHBondContact O-N 3.5Å; Y128-S131 PolarHBondContact O-OG 2.93Å; Y128-K132 HydrophobicContact CE1-CD 4.43Å; Y128-K132 HydrophobicContact CE1-CG 4.32Å; Y128-K132 PolarHBondContact O-N 3.26Å; Y128-K132 WeakPolarHBondContact OH-CE 3.41Å; Y128-W166 AromaticContact CD1-CD2 3.65Å; Y128-W166 HydrophobicContact CD1-CD2 3.65Å; Y128-W166 AromaticContact CD1-CE2 3.69Å; Y128-W166 AromaticContact CD1-CE3 3.84Å; Y128-W166 HydrophobicContact CD1-CE3 3.84Å; Y128-W166 HydrophobicContact CD1-CG 4.2Å; Y128-W166 HydrophobicContact CD1-CH2 4.06Å; Y128-W166 AromaticContact CD1-CZ2 3.89Å; Y128-W166 HydrophobicContact CD1-CZ2 3.89Å; Y128-W166 HydrophobicContact CD1-CZ3 4.05Å; Y128-W166 AromaticContact CE1-CD1 3.89Å; Y128-W166 AromaticContact CE1-CD2 3.61Å; Y128-W166 HydrophobicContact CE1-CD2 3.61Å; Y128-W166 AromaticContact CE1-CE2 3.19Å; Y128-W166 HydrophobicContact CE1-CE3 4.22Å; Y128-W166 HydrophobicContact CE1-CG 4.03Å; Y128-W166 HydrophobicContact CE1-CH2 4.09Å; Y128-W166 AromaticContact CE1-CZ2 3.45Å; Y128-W166 HydrophobicContact CE1-CZ2 3.45Å; Y128-W166 VanDerWaalsContact CE1-CZ2 3.45Å; Y128-W166 HydrophobicContact CE1-CZ3 4.44Å; Y128-W166 AromaticContact CE1-NE1 3.41Å; Y128-A182 HydrophobicContact CD2-CB 4.07Å; Y128-A182 HydrophobicContact CE2-CB 4.21Å; Y128-A182 HydrophobicContact CG-CB 4.24Å; Y128-N185 HydrophobicContact CE2-CB 3.99Å; Y128-N185 VanDerWaalsContact CE2-OD1 3.27Å; Y128-N185 WeakPolarHBondContact CE2-OD1 3.12Å; Y128-N185 WeakPolarHBondContact OH-CB 3.35Å; Y128-N185 PolarHBondContact OH-OD1 3.42Å; Y128-S186 VanDerWaalsContact CD2-OG 3.26Å; Y128-S186 WeakPolarHBondContact CD2-OG 3.45Å |
| 129 | Y | 96.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.7 | -48 | 173.4 | 154.1 | -105.9 | 0 | 0 | 0 | 112.1 | M39 T46 L125 W126 S131 K132 F163 W166 W167 I170 | M39-Y129 HydrophobicContact CB-CE1 4.17Å; M39-Y129 VanDerWaalsContact CE-OH 3.32Å; M39-Y129 WeakPolarHBondContact CE-OH 3.48Å; M39-Y129 HydrophobicContact SD-CE1 4.45Å; T46-Y129 HydrophobicContact CG2-CE2 4.22Å; T46-Y129 PolarHBondContact OG1-OH 2.91Å; L125-Y129 PolarHBondContact O-N 3.43Å; W126-Y129 WeakPolarHBondContact O-CB 3.43Å; W126-Y129 PolarHBondContact O-N 2.84Å; W126-Y129 VanDerWaalsContact O-N 3.11Å; Y129-S131 VanDerWaalsContact C-N 3.26Å; Y129-S131 PolarHBondContact O-N 3.32Å; Y129-K132 WeakPolarHBondContact O-CB 3.35Å; Y129-K132 PolarHBondContact O-N 3.32Å; Y129-K132 VanDerWaalsContact O-N 3.07Å; Y129-F163 AromaticContact CD2-CD2 3.93Å; Y129-F163 HydrophobicContact CD2-CD2 3.93Å; Y129-F163 AromaticContact CD2-CE2 3.92Å; Y129-F163 HydrophobicContact CD2-CE2 3.92Å; Y129-F163 AromaticContact CE2-CD2 3.53Å; Y129-F163 HydrophobicContact CE2-CD2 3.53Å; Y129-F163 AromaticContact CE2-CE2 3.22Å; Y129-F163 HydrophobicContact CE2-CE2 3.22Å; Y129-F163 HydrophobicContact CE2-CG 4.45Å; Y129-F163 AromaticContact CE2-CZ 3.95Å; Y129-F163 HydrophobicContact CE2-CZ 3.95Å; Y129-F163 WeakPolarHBondContact CE2-O 3.42Å; Y129-F163 AromaticContact CZ-CE2 3.58Å; Y129-W166 HydrophobicContact CD2-CB 4.15Å; Y129-W167 HydrophobicContact CD2-CB 4.17Å; Y129-W167 HydrophobicContact CE2-CB 3.66Å; Y129-W167 HydrophobicContact CE2-CG 4.35Å; Y129-W167 AromaticContact CZ-CD1 3.83Å; Y129-I170 HydrophobicContact CG-CG1 4.4Å |
| 130 | I | 97 | Very high | 96.1 | Very high | 30 Ų | 30 | 22 Ų | 22 | 15% | 0.154 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.8 | -39.4 | 177 | -65.2 | -62.9 | 0 | 0 | 0 | 110.9 | M39 W126 W127 K132 G133 V134 | M39-I130 HydrophobicContact SD-CD1 3.62Å; W126-I130 HydrophobicContact CD2-CG1 4Å; W126-I130 HydrophobicContact CE3-CG1 4.23Å; W126-I130 HydrophobicContact CH2-CD1 4.34Å; W126-I130 HydrophobicContact CH2-CG1 3.83Å; W126-I130 HydrophobicContact CZ2-CD1 3.71Å; W126-I130 HydrophobicContact CZ2-CG1 3.55Å; W126-I130 HydrophobicContact CZ3-CG1 4.16Å; W126-I130 WeakPolarHBondContact O-CG1 3.48Å; W126-I130 PolarHBondContact O-N 3.12Å; W127-I130 HydrophobicContact CE3-CB 4.44Å; W127-I130 HydrophobicContact CE3-CG2 4.36Å; W127-I130 HydrophobicContact CZ3-CG2 4.36Å; W127-I130 PolarHBondContact O-N 3.38Å; I130-K132 PolarHBondContact O-N 3.36Å; I130-G133 PolarHBondContact O-N 3.22Å; I130-V134 HydrophobicContact CG2-CG2 4.49Å; I130-V134 PolarHBondContact O-N 2.94Å; I130-V134 VanDerWaalsContact O-N 3.11Å |
| 131 | S | 96.6 | Very high | 96 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -55.8 | -40.5 | 176.7 | 102 | 0 | 0 | 0 | 0 | 110.9 | W127 Y128 Y129 G133 V134 E135 | W127-S131 WeakPolarHBondContact O-CB 3.41Å; W127-S131 PolarHBondContact O-N 2.86Å; Y128-S131 WeakPolarHBondContact O-CB 3.44Å; Y128-S131 PolarHBondContact O-N 3.5Å; Y128-S131 PolarHBondContact O-OG 2.93Å; Y129-S131 VanDerWaalsContact C-N 3.26Å; Y129-S131 PolarHBondContact O-N 3.32Å; S131-G133 VanDerWaalsContact C-N 3.29Å; S131-G133 PolarHBondContact O-N 2.94Å; S131-V134 WeakPolarHBondContact O-CA 3.26Å; S131-V134 WeakPolarHBondContact O-CB 3.28Å; S131-V134 PolarHBondContact O-N 3.25Å; S131-E135 VanDerWaalsContact O-CG 3.22Å; S131-E135 WeakPolarHBondContact O-CG 3.33Å; S131-E135 PolarHBondContact O-N 3.01Å; S131-E135 PolarHBondContact OG-OE1 3.3Å |
| 132 | K | 95.2 | Very high | 95.8 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.009 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.8 | -32.3 | 179.2 | -56.3 | -43.9 | 173.8 | -163.9 | 0 | 113.5 | Y128 Y129 I130 E135 F163 N185 H189 | Y128-K132 HydrophobicContact CE1-CD 4.43Å; Y128-K132 HydrophobicContact CE1-CG 4.32Å; Y128-K132 PolarHBondContact O-N 3.26Å; Y128-K132 WeakPolarHBondContact OH-CE 3.41Å; Y129-K132 WeakPolarHBondContact O-CB 3.35Å; Y129-K132 PolarHBondContact O-N 3.32Å; Y129-K132 VanDerWaalsContact O-N 3.07Å; I130-K132 PolarHBondContact O-N 3.36Å; K132-E135 VanDerWaalsContact CD-OE2 3.24Å; K132-E135 WeakPolarHBondContact CD-OE2 3.3Å; K132-E135 IonicContact NZ-OE1 2.67Å; K132-E135 PolarHBondContact NZ-OE1 3.45Å; K132-E135 IonicContact NZ-OE2 3.09Å; K132-E135 PolarHBondContact NZ-OE2 3.37Å; K132-F163 HydrophobicContact CB-CB 4.33Å; K132-F163 HydrophobicContact CB-CD2 4.13Å; K132-N185 PolarHBondContact NZ-OD1 3.27Å; K132-H189 PolarHBondContact NZ-CE1 2.91Å |
| 133 | G | 95.1 | Very high | 95.6 | Very high | 17 Ų | 17 | 20.7 Ų | 20.7 | 18% | 0.175 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -67.8 | -42.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I130 S131 E135 F136 | I130-G133 PolarHBondContact O-N 3.22Å; S131-G133 VanDerWaalsContact C-N 3.29Å; S131-G133 PolarHBondContact O-N 2.94Å; G133-E135 VanDerWaalsContact C-N 3.29Å; G133-E135 PolarHBondContact O-N 3.36Å; G133-F136 VanDerWaalsContact O-CB 3.31Å; G133-F136 WeakPolarHBondContact O-CB 3.27Å; G133-F136 WeakPolarHBondContact O-CG 3.2Å; G133-F136 PolarHBondContact O-N 3.34Å |
| 134 | V | 96.4 | Very high | 95.5 | Very high | 50 Ų | 50 | 21.2 Ų | 21.2 | 30% | 0.303 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -64.4 | -35 | 176.8 | -179.9 | 0 | 0 | 0 | 0 | 111.6 | Y79 M83 I130 S131 F136 L137 | Y79-V134 HydrophobicContact CE2-CG1 4.08Å; M83-V134 HydrophobicContact SD-CB 4.23Å; M83-V134 HydrophobicContact SD-CG1 3.57Å; M83-V134 VanDerWaalsContact SD-CG1 3.57Å; I130-V134 HydrophobicContact CG2-CG2 4.49Å; I130-V134 PolarHBondContact O-N 2.94Å; I130-V134 VanDerWaalsContact O-N 3.11Å; S131-V134 WeakPolarHBondContact O-CA 3.26Å; S131-V134 WeakPolarHBondContact O-CB 3.28Å; S131-V134 PolarHBondContact O-N 3.25Å; V134-F136 PolarHBondContact O-N 2.83Å; V134-F136 VanDerWaalsContact O-N 3.11Å; V134-L137 HydrophobicContact CG1-CD1 4.29Å; V134-L137 VanDerWaalsContact O-CB 3.29Å; V134-L137 WeakPolarHBondContact O-CB 3.43Å; V134-L137 WeakPolarHBondContact O-CG 3.35Å; V134-L137 PolarHBondContact O-N 2.77Å |
| 135 | E | 95.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -17.1 | 177.2 | -68.5 | 175.4 | -167 | 0 | 0 | 113.3 | M83 S131 K132 G133 L137 D138 H159 H189 Y193 | M83-E135 HydrophobicContact CE-CG 3.49Å; M83-E135 VanDerWaalsContact CE-CG 3.49Å; S131-E135 VanDerWaalsContact O-CG 3.22Å; S131-E135 WeakPolarHBondContact O-CG 3.33Å; S131-E135 PolarHBondContact O-N 3.01Å; S131-E135 PolarHBondContact OG-OE1 3.3Å; K132-E135 VanDerWaalsContact CD-OE2 3.24Å; K132-E135 WeakPolarHBondContact CD-OE2 3.3Å; K132-E135 IonicContact NZ-OE1 2.67Å; K132-E135 PolarHBondContact NZ-OE1 3.45Å; K132-E135 IonicContact NZ-OE2 3.09Å; K132-E135 PolarHBondContact NZ-OE2 3.37Å; G133-E135 VanDerWaalsContact C-N 3.29Å; G133-E135 PolarHBondContact O-N 3.36Å; E135-L137 PolarHBondContact O-N 3.01Å; E135-L137 VanDerWaalsContact O-N 3.17Å; E135-D138 VanDerWaalsContact O-CB 3.3Å; E135-D138 WeakPolarHBondContact O-CB 3.34Å; E135-D138 PolarHBondContact O-N 3.1Å; E135-H159 IonicContact OE2-CE1 3.21Å; E135-H189 IonicContact OE1-CE1 2.94Å; E135-H189 PolarHBondContact OE1-CE1 3.36Å; E135-H189 IonicContact OE1-ND1 2.84Å; E135-H189 PolarHBondContact OE1-ND1 3.3Å; E135-H189 IonicContact OE2-CE1 2.94Å; E135-H189 PolarHBondContact OE2-CE1 3.32Å; E135-Y193 WeakPolarHBondContact CG-OH 3.35Å |
| 136 | F | 95.3 | Very high | 95 | Very high | 15 Ų | 15 | 28.8 Ų | 28.8 | 7% | 0.066 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.5 | -24.6 | 170.4 | -70.1 | -8.6 | 0 | 0 | 0 | 113.1 | I49 Y53 G133 V134 D138 T139 A140 H159 F163 | I49-F136 HydrophobicContact CG2-CD2 3.95Å; I49-F136 HydrophobicContact CG2-CE2 3.93Å; Y53-F136 HydrophobicContact CD1-CD1 4.45Å; Y53-F136 HydrophobicContact CD1-CE1 4.34Å; Y53-F136 HydrophobicContact CD1-CE2 4.44Å; Y53-F136 HydrophobicContact CD1-CZ 4.32Å; Y53-F136 HydrophobicContact CD2-CB 3.68Å; Y53-F136 HydrophobicContact CD2-CD1 4.03Å; Y53-F136 AromaticContact CD2-CD2 3.97Å; Y53-F136 HydrophobicContact CD2-CD2 3.97Å; Y53-F136 AromaticContact CD2-CG 3.64Å; Y53-F136 HydrophobicContact CD2-CG 3.64Å; Y53-F136 HydrophobicContact CE1-CD1 4.45Å; Y53-F136 HydrophobicContact CE1-CE1 4.41Å; Y53-F136 HydrophobicContact CE2-CB 3.97Å; Y53-F136 HydrophobicContact CE2-CD1 4.01Å; Y53-F136 HydrophobicContact CE2-CG 4.01Å; Y53-F136 HydrophobicContact CG-CB 4.43Å; Y53-F136 HydrophobicContact CG-CD1 4.24Å; Y53-F136 AromaticContact CG-CD2 3.87Å; Y53-F136 HydrophobicContact CG-CD2 3.87Å; Y53-F136 HydrophobicContact CG-CE1 4.46Å; Y53-F136 HydrophobicContact CG-CE2 4.1Å; Y53-F136 AromaticContact CG-CG 3.94Å; Y53-F136 HydrophobicContact CG-CG 3.94Å; Y53-F136 HydrophobicContact CG-CZ 4.38Å; G133-F136 VanDerWaalsContact O-CB 3.31Å; G133-F136 WeakPolarHBondContact O-CB 3.27Å; G133-F136 WeakPolarHBondContact O-CG 3.2Å; G133-F136 PolarHBondContact O-N 3.34Å; V134-F136 PolarHBondContact O-N 2.83Å; V134-F136 VanDerWaalsContact O-N 3.11Å; F136-D138 PolarHBondContact O-N 3.29Å; F136-T139 PolarHBondContact O-N 3.38Å; F136-A140 PolarHBondContact O-N 3.25Å; F136-H159 HydrophobicContact CD1-CB 4.07Å; F136-H159 HydrophobicContact CE1-CB 3.9Å; F136-H159 VanDerWaalsContact CE1-O 3.31Å; F136-H159 WeakPolarHBondContact CE1-O 3.42Å; F136-F163 HydrophobicContact CE1-CB 4.18Å; F136-F163 AromaticContact CE2-CD1 3.67Å; F136-F163 HydrophobicContact CE2-CD1 3.67Å; F136-F163 HydrophobicContact CE2-CE1 4.16Å; F136-F163 HydrophobicContact CE2-CG 4.27Å; F136-F163 HydrophobicContact CZ-CB 3.69Å; F136-F163 AromaticContact CZ-CD1 3.63Å; F136-F163 HydrophobicContact CZ-CD1 3.63Å; F136-F163 AromaticContact CZ-CG 3.89Å; F136-F163 HydrophobicContact CZ-CG 3.89Å |
| 137 | L | 95 | Very high | 94.6 | Very high | 80 Ų | 80 | 32.6 Ų | 32.6 | 42% | 0.419 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -64.7 | -24.9 | 174.9 | -63.9 | 177.2 | 0 | 0 | 0 | 112.5 | Y79 V134 E135 T139 A140 F141 | Y79-L137 HydrophobicContact CD2-CB 4.42Å; Y79-L137 HydrophobicContact CD2-CD1 4.18Å; Y79-L137 HydrophobicContact CE2-CB 3.74Å; Y79-L137 HydrophobicContact CE2-CD1 3.93Å; Y79-L137 HydrophobicContact CE2-CG 4.45Å; V134-L137 HydrophobicContact CG1-CD1 4.29Å; V134-L137 VanDerWaalsContact O-CB 3.29Å; V134-L137 WeakPolarHBondContact O-CB 3.43Å; V134-L137 WeakPolarHBondContact O-CG 3.35Å; V134-L137 PolarHBondContact O-N 2.77Å; E135-L137 PolarHBondContact O-N 3.01Å; E135-L137 VanDerWaalsContact O-N 3.17Å; L137-T139 VanDerWaalsContact C-N 3.34Å; L137-T139 PolarHBondContact O-N 3.39Å; L137-A140 WeakPolarHBondContact O-CB 3.24Å; L137-A140 PolarHBondContact O-N 3.26Å; L137-A140 VanDerWaalsContact O-N 3.15Å; L137-F141 HydrophobicContact CB-CD2 4.39Å; L137-F141 HydrophobicContact CB-CE2 3.87Å; L137-F141 HydrophobicContact CB-CZ 4.35Å; L137-F141 WeakPolarHBondContact O-CD2 3.45Å; L137-F141 VanDerWaalsContact O-CG 3.29Å; L137-F141 WeakPolarHBondContact O-CG 3.3Å; L137-F141 PolarHBondContact O-N 3.3Å |
| 138 | D | 92.9 | Very high | 94.1 | Very high | 16 Ų | 16 | 32 Ų | 32 | 9% | 0.086 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.2 | -50.4 | 174.4 | -71.4 | -26.1 | 0 | 0 | 0 | 110.8 | Y79 E135 F136 A140 F141 F142 Y193 | Y79-D138 WeakPolarHBondContact CE1-OD1 3.31Å; Y79-D138 PolarHBondContact OH-OD1 3.23Å; E135-D138 VanDerWaalsContact O-CB 3.3Å; E135-D138 WeakPolarHBondContact O-CB 3.34Å; E135-D138 PolarHBondContact O-N 3.1Å; F136-D138 PolarHBondContact O-N 3.29Å; D138-A140 VanDerWaalsContact C-N 3.3Å; D138-A140 PolarHBondContact O-N 3.44Å; D138-F141 PolarHBondContact O-N 3.23Å; D138-F142 WeakPolarHBondContact O-CD1 3.29Å; D138-F142 WeakPolarHBondContact O-CD2 3.24Å; D138-F142 VanDerWaalsContact O-CG 3.24Å; D138-F142 WeakPolarHBondContact O-CG 3.23Å; D138-F142 PolarHBondContact O-N 3.48Å; D138-Y193 PolarHBondContact OD2-OH 3.4Å |
| 139 | T | 93.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.6 | -39.1 | 176.8 | -47.9 | 0 | 0 | 0 | 0 | 111.4 | Y53 L57 F136 L137 F141 F142 I143 V151 H155 | Y53-T139 HydrophobicContact CE2-CG2 3.93Å; Y53-T139 PolarHBondContact OH-OG1 3.24Å; L57-T139 HydrophobicContact CD2-CG2 3.32Å; L57-T139 HydrophobicContact CG-CG2 4.11Å; F136-T139 PolarHBondContact O-N 3.38Å; L137-T139 VanDerWaalsContact C-N 3.34Å; L137-T139 PolarHBondContact O-N 3.39Å; T139-F141 VanDerWaalsContact C-N 3.34Å; T139-F141 PolarHBondContact O-N 3.48Å; T139-F142 PolarHBondContact O-N 3.35Å; T139-I143 HydrophobicContact CG2-CD1 4.35Å; T139-I143 PolarHBondContact O-N 3.05Å; T139-V151 HydrophobicContact CG2-CG1 3.97Å; T139-V151 HydrophobicContact CG2-CG2 4.16Å; T139-H155 PolarHBondContact OG1-CD2 2.94Å; T139-H155 PolarHBondContact OG1-NE2 3.44Å |
| 140 | A | 94.3 | Very high | 92.7 | Very high | 15 Ų | 15 | 44.2 Ų | 44.2 | 12% | 0.124 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.6 | -46.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | F56 F136 L137 D138 F142 I143 L144 | F56-A140 HydrophobicContact CE1-CB 3.9Å; F56-A140 HydrophobicContact CZ-CB 4.08Å; F136-A140 PolarHBondContact O-N 3.25Å; L137-A140 WeakPolarHBondContact O-CB 3.24Å; L137-A140 PolarHBondContact O-N 3.26Å; L137-A140 VanDerWaalsContact O-N 3.15Å; D138-A140 VanDerWaalsContact C-N 3.3Å; D138-A140 PolarHBondContact O-N 3.44Å; A140-F142 PolarHBondContact O-N 2.9Å; A140-I143 PolarHBondContact O-N 3.25Å; A140-L144 WeakPolarHBondContact O-CB 3.46Å; A140-L144 VanDerWaalsContact O-CG 3.27Å; A140-L144 WeakPolarHBondContact O-CG 3.32Å; A140-L144 PolarHBondContact O-N 3.18Å |
| 141 | F | 94.2 | Very high | 92.3 | Very high | 21 Ų | 21 | 44.3 Ų | 44.3 | 9% | 0.092 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.6 | -35.7 | 176.1 | -62.9 | -46.5 | 0 | 0 | 0 | 113 | L72 T75 L76 Y79 L137 D138 T139 R145 | L72-F141 HydrophobicContact CD1-CD1 3.82Å; L72-F141 HydrophobicContact CD1-CE1 4.39Å; T75-F141 HydrophobicContact CG2-CE1 3.92Å; T75-F141 HydrophobicContact CG2-CZ 4.06Å; L76-F141 HydrophobicContact CD2-CB 3.86Å; L76-F141 HydrophobicContact CD2-CD1 4.29Å; L76-F141 HydrophobicContact CD2-CD2 3.63Å; L76-F141 HydrophobicContact CD2-CE2 4.25Å; L76-F141 HydrophobicContact CD2-CG 3.67Å; Y79-F141 HydrophobicContact CD1-CD2 4.16Å; Y79-F141 AromaticContact CD1-CE2 3.63Å; Y79-F141 HydrophobicContact CD1-CE2 3.63Å; Y79-F141 AromaticContact CD2-CE2 3.78Å; Y79-F141 HydrophobicContact CD2-CE2 3.78Å; Y79-F141 HydrophobicContact CD2-CZ 4.36Å; Y79-F141 HydrophobicContact CE1-CD2 4.25Å; Y79-F141 AromaticContact CE1-CE2 3.96Å; Y79-F141 HydrophobicContact CE1-CE2 3.96Å; Y79-F141 HydrophobicContact CE2-CE2 4.09Å; Y79-F141 HydrophobicContact CG-CD2 4.47Å; Y79-F141 AromaticContact CG-CE2 3.53Å; Y79-F141 HydrophobicContact CG-CE2 3.53Å; Y79-F141 HydrophobicContact CG-CZ 4.19Å; L137-F141 HydrophobicContact CB-CD2 4.39Å; L137-F141 HydrophobicContact CB-CE2 3.87Å; L137-F141 HydrophobicContact CB-CZ 4.35Å; L137-F141 WeakPolarHBondContact O-CD2 3.45Å; L137-F141 VanDerWaalsContact O-CG 3.29Å; L137-F141 WeakPolarHBondContact O-CG 3.3Å; L137-F141 PolarHBondContact O-N 3.3Å; D138-F141 PolarHBondContact O-N 3.23Å; T139-F141 VanDerWaalsContact C-N 3.34Å; T139-F141 PolarHBondContact O-N 3.48Å; F141-R145 VanDerWaalsContact O-CB 3.27Å; F141-R145 WeakPolarHBondContact O-CB 3.42Å; F141-R145 WeakPolarHBondContact O-CG 3.2Å; F141-R145 PolarHBondContact O-N 3.46Å |
| 142 | F | 92.5 | Very high | 91.9 | Very high | 36 Ų | 36 | 46.6 Ų | 46.6 | 16% | 0.158 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.6 | -45 | 174.8 | -63.2 | -21.6 | 0 | 0 | 0 | 111.8 | D138 T139 A140 R145 K146 K147 Q150 V151 H155 | D138-F142 WeakPolarHBondContact O-CD1 3.29Å; D138-F142 WeakPolarHBondContact O-CD2 3.24Å; D138-F142 VanDerWaalsContact O-CG 3.24Å; D138-F142 WeakPolarHBondContact O-CG 3.23Å; D138-F142 PolarHBondContact O-N 3.48Å; T139-F142 PolarHBondContact O-N 3.35Å; A140-F142 PolarHBondContact O-N 2.9Å; F142-R145 PolarHBondContact O-N 2.85Å; F142-K146 PolarHBondContact O-N 3.06Å; F142-K147 PolarHBondContact O-N 3.13Å; F142-Q150 HydrophobicContact CB-CB 4.5Å; F142-Q150 HydrophobicContact CD1-CB 4.31Å; F142-Q150 HydrophobicContact CD2-CB 3.71Å; F142-Q150 HydrophobicContact CE1-CB 4.48Å; F142-Q150 HydrophobicContact CE2-CB 3.9Å; F142-Q150 HydrophobicContact CG-CB 3.93Å; F142-Q150 HydrophobicContact CZ-CB 4.3Å; F142-V151 HydrophobicContact CB-CG2 3.74Å; F142-V151 HydrophobicContact CD2-CG2 4.18Å; F142-V151 HydrophobicContact CG-CG2 4.48Å; F142-H155 AromaticContact CE2-CE1 3.9Å |
| 143 | I | 93.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.6 | -50.9 | 177.5 | -73.3 | 171.8 | 0 | 0 | 0 | 111 | F56 L57 P61 M64 T139 A140 R145 K146 F148 V151 | F56-I143 HydrophobicContact CD1-CD1 3.92Å; F56-I143 HydrophobicContact CE1-CB 4.03Å; F56-I143 HydrophobicContact CE1-CD1 3.65Å; F56-I143 HydrophobicContact CE1-CG1 4.4Å; F56-I143 HydrophobicContact CE1-CG2 4.08Å; F56-I143 HydrophobicContact CZ-CG2 4.29Å; L57-I143 HydrophobicContact CD2-CD1 3.85Å; P61-I143 HydrophobicContact CG-CD1 4.39Å; P61-I143 HydrophobicContact CG-CG1 4.5Å; M64-I143 HydrophobicContact CG-CG2 4.2Å; T139-I143 HydrophobicContact CG2-CD1 4.35Å; T139-I143 PolarHBondContact O-N 3.05Å; A140-I143 PolarHBondContact O-N 3.25Å; I143-R145 PolarHBondContact O-N 2.62Å; I143-K146 PolarHBondContact O-N 2.91Å; I143-F148 HydrophobicContact CB-CE1 4.37Å; I143-F148 HydrophobicContact CG1-CD1 4.44Å; I143-F148 HydrophobicContact CG1-CE1 4.23Å; I143-F148 HydrophobicContact CG2-CE1 4.21Å; I143-V151 HydrophobicContact CG1-CG2 4.37Å |
| 144 | L | 93.5 | Very high | 91 | Very high | 42 Ų | 42 | 54 Ų | 54 | 22% | 0.22 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63 | -25.7 | -178.2 | -67.7 | 174.4 | 0 | 0 | 0 | 112.8 | M64 F70 L72 A140 | M64-L144 WeakPolarHBondContact CE-O 3.48Å; M64-L144 HydrophobicContact SD-CD2 4.13Å; F70-L144 HydrophobicContact CD2-CB 4.07Å; F70-L144 HydrophobicContact CD2-CD2 4.02Å; F70-L144 WeakPolarHBondContact CD2-O 3.42Å; F70-L144 HydrophobicContact CE2-CD2 4.01Å; F70-L144 PolarHBondContact N-O 3.48Å; L72-L144 HydrophobicContact CD1-CB 3.98Å; L72-L144 HydrophobicContact CD1-CD1 4.06Å; A140-L144 WeakPolarHBondContact O-CB 3.46Å; A140-L144 VanDerWaalsContact O-CG 3.27Å; A140-L144 WeakPolarHBondContact O-CG 3.32Å; A140-L144 PolarHBondContact O-N 3.18Å |
| 145 | R | 93.2 | Very high | 90.5 | Very high | 89 Ų | 89 | 53.3 Ų | 53.3 | 34% | 0.336 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 6.3 | 175.8 | -66.6 | 178.7 | 65.3 | -153.3 | 0.7 | 113.9 | F141 F142 I143 K147 | F141-R145 VanDerWaalsContact O-CB 3.27Å; F141-R145 WeakPolarHBondContact O-CB 3.42Å; F141-R145 WeakPolarHBondContact O-CG 3.2Å; F141-R145 PolarHBondContact O-N 3.46Å; F142-R145 PolarHBondContact O-N 2.85Å; I143-R145 PolarHBondContact O-N 2.62Å; R145-K147 HydrophobicContact CB-CG 4.05Å; R145-K147 PolarHBondContact O-N 2.86Å |
| 146 | K | 91.3 | Very high | 90.3 | Very high | 71 Ų | 71 | 54.7 Ų | 54.7 | 31% | 0.309 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 34.4 | -173.7 | -65.6 | -172.1 | 154.2 | -176.8 | 0 | 113.5 | M64 Q65 R67 P69 F142 I143 F148 | M64-K146 HydrophobicContact CE-CG 4.1Å; M64-K146 WeakPolarHBondContact O-CE 3.22Å; M64-K146 PolarHBondContact O-NZ 3.13Å; Q65-K146 PolarHBondContact O-NZ 3.42Å; R67-K146 WeakPolarHBondContact O-CE 3.38Å; R67-K146 PolarHBondContact O-NZ 3.46Å; P69-K146 HydrophobicContact CB-CB 4.26Å; P69-K146 HydrophobicContact CB-CD 4.39Å; P69-K146 HydrophobicContact CB-CG 4.21Å; F142-K146 PolarHBondContact O-N 3.06Å; I143-K146 PolarHBondContact O-N 2.91Å; K146-F148 VanDerWaalsContact C-N 3.31Å; K146-F148 HydrophobicContact CB-CE2 3.96Å; K146-F148 HydrophobicContact CB-CZ 4.46Å; K146-F148 HydrophobicContact CG-CE2 4.05Å; K146-F148 HydrophobicContact CG-CZ 4.28Å; K146-F148 PolarHBondContact O-N 2.84Å |
| 147 | K | 88.9 | Confident | 90.1 | Very high | 104 Ų | 104 | 56.8 Ų | 56.8 | 45% | 0.452 | 28% | 0.275 | S | S | . | . | trans | -95.6 | 51 | 175.4 | -61.5 | -59 | -177.1 | -175.8 | 0 | 111 | F142 R145 N149 Q150 | F142-K147 PolarHBondContact O-N 3.13Å; R145-K147 HydrophobicContact CB-CG 4.05Å; R145-K147 PolarHBondContact O-N 2.86Å; K147-N149 PolarHBondContact O-N 3.23Å; K147-N149 VanDerWaalsContact O-N 3.13Å; K147-Q150 HydrophobicContact CB-CG 4.31Å; K147-Q150 WeakPolarHBondContact O-CB 3.4Å; K147-Q150 PolarHBondContact O-N 3.46Å | ||
| 148 | F | 87.6 | Confident | 89.8 | Confident | 77 Ų | 77 | 54.1 Ų | 54.1 | 34% | 0.338 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -59.1 | -27.8 | -175.4 | -57.1 | -63.3 | 0 | 0 | 0 | 113.9 | P61 M64 I143 K146 Q150 V151 | P61-F148 HydrophobicContact CB-CD1 4.34Å; P61-F148 HydrophobicContact CB-CE1 3.73Å; P61-F148 HydrophobicContact CB-CZ 4.18Å; P61-F148 HydrophobicContact CG-CD1 4.3Å; P61-F148 HydrophobicContact CG-CE1 3.9Å; M64-F148 HydrophobicContact CB-CZ 4.29Å; I143-F148 HydrophobicContact CB-CE1 4.37Å; I143-F148 HydrophobicContact CG1-CD1 4.44Å; I143-F148 HydrophobicContact CG1-CE1 4.23Å; I143-F148 HydrophobicContact CG2-CE1 4.21Å; K146-F148 VanDerWaalsContact C-N 3.31Å; K146-F148 HydrophobicContact CB-CE2 3.96Å; K146-F148 HydrophobicContact CB-CZ 4.46Å; K146-F148 HydrophobicContact CG-CE2 4.05Å; K146-F148 HydrophobicContact CG-CZ 4.28Å; K146-F148 PolarHBondContact O-N 2.84Å; F148-Q150 PolarHBondContact O-N 2.81Å; F148-Q150 VanDerWaalsContact O-N 3.07Å; F148-V151 PolarHBondContact O-N 3.37Å |
| 149 | N | 83.6 | Confident | 89.6 | Confident | 167 Ų | 167 | 54 Ų | 54 | 89% | 0.893 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -60.2 | -19.2 | 174.7 | -61.6 | -11.3 | 0 | 0 | 0 | 113.4 | K147 | K147-N149 PolarHBondContact O-N 3.23Å; K147-N149 VanDerWaalsContact O-N 3.13Å |
| 150 | Q | 82.6 | Confident | 89.5 | Confident | 94 Ų | 94 | 55 Ų | 55 | 44% | 0.439 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -85.3 | -20.7 | 176.3 | -61.2 | -177.3 | -40.8 | 0 | 0 | 112.3 | F142 K147 F148 S152 | F142-Q150 HydrophobicContact CB-CB 4.5Å; F142-Q150 HydrophobicContact CD1-CB 4.31Å; F142-Q150 HydrophobicContact CD2-CB 3.71Å; F142-Q150 HydrophobicContact CE1-CB 4.48Å; F142-Q150 HydrophobicContact CE2-CB 3.9Å; F142-Q150 HydrophobicContact CG-CB 3.93Å; F142-Q150 HydrophobicContact CZ-CB 4.3Å; K147-Q150 HydrophobicContact CB-CG 4.31Å; K147-Q150 WeakPolarHBondContact O-CB 3.4Å; K147-Q150 PolarHBondContact O-N 3.46Å; F148-Q150 PolarHBondContact O-N 2.81Å; F148-Q150 VanDerWaalsContact O-N 3.07Å; Q150-S152 VanDerWaalsContact C-N 3.31Å; Q150-S152 PolarHBondContact O-N 3.45Å; Q150-S152 VanDerWaalsContact O-N 3.09Å |
| 151 | V | 88.6 | Confident | 89.4 | Confident | 33 Ų | 33 | 55.8 Ų | 55.8 | 20% | 0.2 | 27% | 0.269 | C | S | . | . | trans | -87.8 | 72.3 | 178.5 | -170.1 | 0 | 0 | 0 | 0 | 109 | L57 T139 F142 I143 F148 V156 | L57-V151 HydrophobicContact CD2-CG1 3.55Å; T139-V151 HydrophobicContact CG2-CG1 3.97Å; T139-V151 HydrophobicContact CG2-CG2 4.16Å; F142-V151 HydrophobicContact CB-CG2 3.74Å; F142-V151 HydrophobicContact CD2-CG2 4.18Å; F142-V151 HydrophobicContact CG-CG2 4.48Å; I143-V151 HydrophobicContact CG1-CG2 4.37Å; F148-V151 PolarHBondContact O-N 3.37Å; V151-V156 HydrophobicContact CG1-CG2 3.69Å | ||
| 152 | S | 87.3 | Confident | 89.2 | Confident | 48 Ų | 48 | 55.9 Ų | 55.9 | 34% | 0.336 | 27% | 0.27 | S | S | . | . | trans | -78.3 | 161.8 | 175.8 | 69.9 | 0 | 0 | 0 | 0 | 111.8 | Q150 L154 H155 V156 | Q150-S152 VanDerWaalsContact C-N 3.31Å; Q150-S152 PolarHBondContact O-N 3.45Å; Q150-S152 VanDerWaalsContact O-N 3.09Å; S152-L154 PolarHBondContact O-N 3.12Å; S152-H155 WeakPolarHBondContact O-CB 3.32Å; S152-H155 PolarHBondContact O-N 2.89Å; S152-H155 WeakPolarHBondContact OG-CB 3.45Å; S152-H155 PolarHBondContact OG-N 3.33Å; S152-H155 VanDerWaalsContact OG-N 3.13Å; S152-V156 PolarHBondContact O-N 3.21Å; S152-V156 VanDerWaalsContact O-N 3.07Å | ||
| 153 | F | 86.9 | Confident | 89.3 | Confident | 144 Ų | 144 | 54.2 Ų | 54.2 | 63% | 0.632 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -55.7 | -43.2 | 171.7 | 177.1 | -92 | 0 | 0 | 0 | 111.5 | H155 V156 Y157 L258 | F153-H155 VanDerWaalsContact C-N 3.33Å; F153-H155 PolarHBondContact O-N 3.31Å; F153-V156 PolarHBondContact O-N 3.4Å; F153-Y157 HydrophobicContact CE1-CG 4.43Å; F153-Y157 HydrophobicContact CZ-CD2 4.48Å; F153-Y157 VanDerWaalsContact O-CB 3.23Å; F153-Y157 WeakPolarHBondContact O-CB 3.4Å; F153-Y157 PolarHBondContact O-N 2.9Å; F153-L258 HydrophobicContact CD1-CD1 4.4Å; F153-L258 HydrophobicContact CD1-CD2 3.83Å; F153-L258 HydrophobicContact CE1-CD1 3.91Å; F153-L258 HydrophobicContact CE1-CD2 3.45Å; F153-L258 VanDerWaalsContact CE1-CD2 3.45Å; F153-L258 HydrophobicContact CE1-CG 4.33Å |
| 154 | L | 84.1 | Confident | 89.4 | Confident | 31 Ų | 31 | 56.5 Ų | 56.5 | 16% | 0.162 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59 | -44.4 | 178.1 | 179.9 | 69.3 | 0 | 0 | 0 | 111.6 | S152 H158 F255 L258 F259 | S152-L154 PolarHBondContact O-N 3.12Å; L154-H158 VanDerWaalsContact O-CB 3.28Å; L154-H158 WeakPolarHBondContact O-CB 3.22Å; L154-H158 PolarHBondContact O-N 3.37Å; L154-F255 HydrophobicContact CD1-CD1 4.4Å; L154-F255 HydrophobicContact CD1-CE1 4.05Å; L154-F255 HydrophobicContact CD1-CZ 4.15Å; L154-L258 HydrophobicContact CD1-CB 3.75Å; L154-L258 HydrophobicContact CD1-CD1 4.14Å; L154-F259 HydrophobicContact CD1-CD2 4.24Å; L154-F259 HydrophobicContact CD1-CE2 4.26Å; L154-F259 HydrophobicContact CD2-CD1 4.28Å; L154-F259 HydrophobicContact CD2-CD2 3.95Å; L154-F259 HydrophobicContact CD2-CE1 3.93Å; L154-F259 HydrophobicContact CD2-CE2 3.57Å; L154-F259 HydrophobicContact CD2-CG 4.3Å; L154-F259 HydrophobicContact CD2-CZ 3.56Å; L154-F259 HydrophobicContact CG-CE2 4.46Å |
| 155 | H | 86.4 | Confident | 89.3 | Confident | 34 Ų | 34 | 57.9 Ų | 57.9 | 16% | 0.157 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.9 | -52.1 | 176.7 | 179.9 | 86 | 0 | 0 | 0 | 111.2 | T139 F142 S152 F153 Y157 H158 H159 | T139-H155 PolarHBondContact OG1-CD2 2.94Å; T139-H155 PolarHBondContact OG1-NE2 3.44Å; F142-H155 AromaticContact CE2-CE1 3.9Å; S152-H155 WeakPolarHBondContact O-CB 3.32Å; S152-H155 PolarHBondContact O-N 2.89Å; S152-H155 WeakPolarHBondContact OG-CB 3.45Å; S152-H155 PolarHBondContact OG-N 3.33Å; S152-H155 VanDerWaalsContact OG-N 3.13Å; F153-H155 VanDerWaalsContact C-N 3.33Å; F153-H155 PolarHBondContact O-N 3.31Å; H155-Y157 PolarHBondContact O-N 2.7Å; H155-H158 PolarHBondContact O-N 2.9Å; H155-H159 AromaticContact CD2-CD2 3.82Å; H155-H159 AromaticContact CE1-CD2 3.21Å; H155-H159 PolarHBondContact CE1-CD2 3.47Å; H155-H159 AromaticContact CE1-NE2 3.09Å; H155-H159 PolarHBondContact CE1-NE2 3.41Å; H155-H159 AromaticContact CG-CD2 3.9Å; H155-H159 AromaticContact ND1-CD2 3.57Å; H155-H159 AromaticContact ND1-NE2 3.57Å; H155-H159 AromaticContact NE2-CD2 3.38Å; H155-H159 PolarHBondContact NE2-CD2 2.92Å; H155-H159 AromaticContact NE2-NE2 3.7Å; H155-H159 PolarHBondContact O-CD2 3.46Å; H155-H159 PolarHBondContact O-N 3.26Å |
| 156 | V | 91.2 | Very high | 89.3 | Confident | 30 Ų | 30 | 55.6 Ų | 55.6 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.8 | -44.7 | -179.1 | 174.3 | 0 | 0 | 0 | 0 | 111.8 | Y53 L54 L57 V151 S152 F153 C160 | Y53-V156 HydrophobicContact CE1-CG1 4.34Å; L54-V156 HydrophobicContact CD2-CG1 4.27Å; L57-V156 HydrophobicContact CD1-CB 4.19Å; L57-V156 HydrophobicContact CD1-CG1 3.43Å; L57-V156 VanDerWaalsContact CD1-CG1 3.43Å; L57-V156 HydrophobicContact CD1-CG2 3.69Å; L57-V156 HydrophobicContact CD2-CG2 3.97Å; V151-V156 HydrophobicContact CG1-CG2 3.69Å; S152-V156 PolarHBondContact O-N 3.21Å; S152-V156 VanDerWaalsContact O-N 3.07Å; F153-V156 PolarHBondContact O-N 3.4Å; V156-C160 VanDerWaalsContact O-CB 3.32Å; V156-C160 WeakPolarHBondContact O-CB 3.32Å; V156-C160 PolarHBondContact O-N 2.98Å; V156-C160 VanDerWaalsContact O-N 3.07Å |
| 157 | Y | 90.1 | Very high | 89.5 | Confident | 59 Ų | 59 | 52.8 Ų | 52.8 | 23% | 0.231 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.1 | -51.3 | 176.6 | 176.5 | -98 | 0 | 0 | 0 | 110.8 | F153 H155 T161 Y251 T254 F255 L258 | F153-Y157 HydrophobicContact CE1-CG 4.43Å; F153-Y157 HydrophobicContact CZ-CD2 4.48Å; F153-Y157 VanDerWaalsContact O-CB 3.23Å; F153-Y157 WeakPolarHBondContact O-CB 3.4Å; F153-Y157 PolarHBondContact O-N 2.9Å; H155-Y157 PolarHBondContact O-N 2.7Å; Y157-T161 HydrophobicContact CD2-CG2 4.05Å; Y157-T161 HydrophobicContact CE2-CG2 3.78Å; Y157-T161 WeakPolarHBondContact O-CB 3.42Å; Y157-T161 VanDerWaalsContact O-CG2 3.3Å; Y157-T161 WeakPolarHBondContact O-CG2 3.46Å; Y157-T161 PolarHBondContact O-N 3.47Å; Y157-T161 PolarHBondContact O-OG1 2.93Å; Y157-Y251 HydrophobicContact CE1-CE2 4.13Å; Y157-T254 WeakPolarHBondContact OH-CB 3.22Å; Y157-T254 PolarHBondContact OH-OG1 3.29Å; Y157-F255 HydrophobicContact CD1-CE2 4.03Å; Y157-F255 HydrophobicContact CE1-CD2 4.19Å; Y157-F255 HydrophobicContact CE1-CE2 4.04Å; Y157-L258 HydrophobicContact CD1-CD1 3.42Å; Y157-L258 VanDerWaalsContact CD1-CD1 3.42Å; Y157-L258 HydrophobicContact CD2-CD1 4.41Å; Y157-L258 HydrophobicContact CE1-CD1 3.76Å; Y157-L258 HydrophobicContact CG-CD1 3.8Å |
| 158 | H | 88.8 | Confident | 89.7 | Confident | 24 Ų | 24 | 50.5 Ų | 50.5 | 11% | 0.111 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -54.9 | -58.2 | 178.4 | 178.7 | -107.7 | 0 | 0 | 0 | 112.1 | L154 H155 C160 T161 M162 Y251 F255 | L154-H158 VanDerWaalsContact O-CB 3.28Å; L154-H158 WeakPolarHBondContact O-CB 3.22Å; L154-H158 PolarHBondContact O-N 3.37Å; H155-H158 PolarHBondContact O-N 2.9Å; H158-C160 PolarHBondContact O-N 2.8Å; H158-T161 PolarHBondContact O-N 3.5Å; H158-T161 PolarHBondContact O-OG1 3.46Å; H158-M162 WeakPolarHBondContact O-CB 3.45Å; H158-M162 VanDerWaalsContact O-CG 3.27Å; H158-M162 WeakPolarHBondContact O-CG 3.1Å; H158-M162 PolarHBondContact O-N 3.31Å; H158-Y251 PolarHBondContact CD2-OH 2.86Å; H158-Y251 VanDerWaalsContact CD2-OH 3.25Å; H158-F255 HydrophobicContact CB-CE2 4.23Å; H158-F255 HydrophobicContact CB-CZ 3.66Å; H158-F255 AromaticContact CD2-CE2 3.89Å; H158-F255 AromaticContact CD2-CZ 3.26Å; H158-F255 WeakPolarHBondContact CD2-CZ 3.48Å; H158-F255 AromaticContact CG-CZ 3.73Å |
| 159 | H | 90.1 | Very high | 89.9 | Confident | 15 Ų | 15 | 47.1 Ų | 47.1 | 7% | 0.069 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.5 | -47.8 | -172.9 | -80.9 | -76.3 | 0 | 0 | 0 | 111 | E135 F136 H155 F163 | E135-H159 IonicContact OE2-CE1 3.21Å; F136-H159 HydrophobicContact CD1-CB 4.07Å; F136-H159 HydrophobicContact CE1-CB 3.9Å; F136-H159 VanDerWaalsContact CE1-O 3.31Å; F136-H159 WeakPolarHBondContact CE1-O 3.42Å; H155-H159 AromaticContact CD2-CD2 3.82Å; H155-H159 AromaticContact CE1-CD2 3.21Å; H155-H159 PolarHBondContact CE1-CD2 3.47Å; H155-H159 AromaticContact CE1-NE2 3.09Å; H155-H159 PolarHBondContact CE1-NE2 3.41Å; H155-H159 AromaticContact CG-CD2 3.9Å; H155-H159 AromaticContact ND1-CD2 3.57Å; H155-H159 AromaticContact ND1-NE2 3.57Å; H155-H159 AromaticContact NE2-CD2 3.38Å; H155-H159 PolarHBondContact NE2-CD2 2.92Å; H155-H159 AromaticContact NE2-NE2 3.7Å; H155-H159 PolarHBondContact O-CD2 3.46Å; H155-H159 PolarHBondContact O-N 3.26Å; H159-F163 PolarHBondContact O-N 2.88Å |
| 160 | C | 91.9 | Very high | 90.4 | Very high | 20 Ų | 20 | 39.2 Ų | 39.2 | 14% | 0.135 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.7 | -46.9 | -178 | -172 | 0 | 0 | 0 | 0 | 112.1 | Y53 V156 H158 I164 | Y53-C160 HydrophobicContact CE1-CB 4.36Å; V156-C160 VanDerWaalsContact O-CB 3.32Å; V156-C160 WeakPolarHBondContact O-CB 3.32Å; V156-C160 PolarHBondContact O-N 2.98Å; V156-C160 VanDerWaalsContact O-N 3.07Å; H158-C160 PolarHBondContact O-N 2.8Å; C160-I164 PolarHBondContact O-N 3.04Å |
| 161 | T | 91.4 | Very high | 91 | Very high | 31 Ų | 31 | 35.1 Ų | 35.1 | 19% | 0.19 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -69.9 | -42.1 | -178.3 | 54.9 | 0 | 0 | 0 | 0 | 112.3 | Y157 H158 F163 I164 L165 Y251 | Y157-T161 HydrophobicContact CD2-CG2 4.05Å; Y157-T161 HydrophobicContact CE2-CG2 3.78Å; Y157-T161 WeakPolarHBondContact O-CB 3.42Å; Y157-T161 VanDerWaalsContact O-CG2 3.3Å; Y157-T161 WeakPolarHBondContact O-CG2 3.46Å; Y157-T161 PolarHBondContact O-N 3.47Å; Y157-T161 PolarHBondContact O-OG1 2.93Å; H158-T161 PolarHBondContact O-N 3.5Å; H158-T161 PolarHBondContact O-OG1 3.46Å; T161-F163 VanDerWaalsContact C-N 3.3Å; T161-F163 PolarHBondContact O-N 3.49Å; T161-I164 PolarHBondContact O-N 3.44Å; T161-L165 WeakPolarHBondContact O-CB 3.5Å; T161-L165 VanDerWaalsContact O-CG 3.24Å; T161-L165 WeakPolarHBondContact O-CG 3.43Å; T161-L165 PolarHBondContact O-N 3.24Å; T161-Y251 WeakPolarHBondContact OG1-CE2 3.3Å; T161-Y251 PolarHBondContact OG1-OH 3.05Å |
| 162 | M | 90.7 | Very high | 91.2 | Very high | 23 Ų | 23 | 35 Ų | 35 | 11% | 0.113 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.4 | -44 | 179 | -84 | -74.6 | 168.8 | 0 | 0 | 112.1 | H158 I164 L165 W166 Y251 | H158-M162 WeakPolarHBondContact O-CB 3.45Å; H158-M162 VanDerWaalsContact O-CG 3.27Å; H158-M162 WeakPolarHBondContact O-CG 3.1Å; H158-M162 PolarHBondContact O-N 3.31Å; M162-I164 VanDerWaalsContact C-N 3.34Å; M162-I164 PolarHBondContact O-N 2.84Å; M162-L165 PolarHBondContact O-N 2.94Å; M162-W166 WeakPolarHBondContact O-CB 3.1Å; M162-W166 VanDerWaalsContact O-CD1 3.28Å; M162-W166 PolarHBondContact O-N 3.06Å; M162-Y251 HydrophobicContact CE-CD1 3.94Å; M162-Y251 HydrophobicContact CE-CE1 3.12Å; M162-Y251 HydrophobicContact CE-CE2 4.45Å; M162-Y251 VanDerWaalsContact CE-OH 3.3Å; M162-Y251 WeakPolarHBondContact CE-OH 3.38Å; M162-Y251 WeakPolarHBondContact CG-OH 3.26Å |
| 163 | F | 94.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.009 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.6 | -40.9 | -179.1 | -174.6 | -129.5 | 0 | 0 | 0 | 112.3 | M39 T46 I49 S50 Y129 K132 F136 H159 T161 W167 | M39-F163 HydrophobicContact CE-CZ 3.88Å; T46-F163 HydrophobicContact CG2-CD1 3.73Å; T46-F163 HydrophobicContact CG2-CE1 3.6Å; T46-F163 HydrophobicContact CG2-CG 4.27Å; T46-F163 HydrophobicContact CG2-CZ 4.03Å; I49-F163 HydrophobicContact CB-CE1 4.03Å; I49-F163 HydrophobicContact CG2-CE1 3.92Å; I49-F163 HydrophobicContact CG2-CZ 4.45Å; S50-F163 WeakPolarHBondContact OG-CD1 3.34Å; Y129-F163 AromaticContact CD2-CD2 3.93Å; Y129-F163 HydrophobicContact CD2-CD2 3.93Å; Y129-F163 AromaticContact CD2-CE2 3.92Å; Y129-F163 HydrophobicContact CD2-CE2 3.92Å; Y129-F163 AromaticContact CE2-CD2 3.53Å; Y129-F163 HydrophobicContact CE2-CD2 3.53Å; Y129-F163 AromaticContact CE2-CE2 3.22Å; Y129-F163 HydrophobicContact CE2-CE2 3.22Å; Y129-F163 HydrophobicContact CE2-CG 4.45Å; Y129-F163 AromaticContact CE2-CZ 3.95Å; Y129-F163 HydrophobicContact CE2-CZ 3.95Å; Y129-F163 WeakPolarHBondContact CE2-O 3.42Å; Y129-F163 AromaticContact CZ-CE2 3.58Å; K132-F163 HydrophobicContact CB-CB 4.33Å; K132-F163 HydrophobicContact CB-CD2 4.13Å; F136-F163 HydrophobicContact CE1-CB 4.18Å; F136-F163 AromaticContact CE2-CD1 3.67Å; F136-F163 HydrophobicContact CE2-CD1 3.67Å; F136-F163 HydrophobicContact CE2-CE1 4.16Å; F136-F163 HydrophobicContact CE2-CG 4.27Å; F136-F163 HydrophobicContact CZ-CB 3.69Å; F136-F163 AromaticContact CZ-CD1 3.63Å; F136-F163 HydrophobicContact CZ-CD1 3.63Å; F136-F163 AromaticContact CZ-CG 3.89Å; F136-F163 HydrophobicContact CZ-CG 3.89Å; H159-F163 PolarHBondContact O-N 2.88Å; T161-F163 VanDerWaalsContact C-N 3.3Å; T161-F163 PolarHBondContact O-N 3.49Å; F163-W167 PolarHBondContact O-N 2.89Å |
| 164 | I | 94.1 | Very high | 91.6 | Very high | 49 Ų | 49 | 26 Ų | 26 | 25% | 0.251 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -71.7 | -46.4 | 178 | -62.6 | 169.5 | 0 | 0 | 0 | 111.3 | T46 L47 C160 T161 M162 W166 W167 I168 | T46-I164 HydrophobicContact CG2-CG1 4.36Å; L47-I164 HydrophobicContact CD2-CD1 4.23Å; L47-I164 HydrophobicContact CD2-CG1 4.43Å; C160-I164 PolarHBondContact O-N 3.04Å; T161-I164 PolarHBondContact O-N 3.44Å; M162-I164 VanDerWaalsContact C-N 3.34Å; M162-I164 PolarHBondContact O-N 2.84Å; I164-W166 VanDerWaalsContact C-N 3.34Å; I164-W166 PolarHBondContact O-N 2.85Å; I164-W167 WeakPolarHBondContact O-CB 3.36Å; I164-W167 PolarHBondContact O-N 3.42Å; I164-I168 PolarHBondContact O-N 3.31Å |
| 165 | L | 92.4 | Very high | 92 | Very high | 71 Ų | 71 | 24.6 Ų | 24.6 | 37% | 0.372 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -63.9 | -39.5 | -178.5 | -70.8 | 173.8 | 0 | 0 | 0 | 111.7 | T161 M162 I168 G169 Y251 | T161-L165 WeakPolarHBondContact O-CB 3.5Å; T161-L165 VanDerWaalsContact O-CG 3.24Å; T161-L165 WeakPolarHBondContact O-CG 3.43Å; T161-L165 PolarHBondContact O-N 3.24Å; M162-L165 PolarHBondContact O-N 2.94Å; L165-I168 WeakPolarHBondContact O-CB 3.3Å; L165-I168 PolarHBondContact O-N 3Å; L165-G169 PolarHBondContact O-N 3.18Å; L165-Y251 HydrophobicContact CD1-CD2 3.61Å; L165-Y251 HydrophobicContact CD1-CE2 3.89Å; L165-Y251 HydrophobicContact CD1-CG 4.32Å |
| 166 | W | 93.8 | Very high | 92.3 | Very high | 41 Ų | 41 | 23 Ų | 23 | 16% | 0.155 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -69.5 | -32.2 | 176.8 | -86.2 | 95.4 | 0 | 0 | 0 | 112.8 | L125 Y128 Y129 M162 I164 I168 G169 I170 A182 | L125-W166 HydrophobicContact CD2-CH2 4.17Å; L125-W166 HydrophobicContact CD2-CZ3 3.97Å; Y128-W166 AromaticContact CD1-CD2 3.65Å; Y128-W166 HydrophobicContact CD1-CD2 3.65Å; Y128-W166 AromaticContact CD1-CE2 3.69Å; Y128-W166 AromaticContact CD1-CE3 3.84Å; Y128-W166 HydrophobicContact CD1-CE3 3.84Å; Y128-W166 HydrophobicContact CD1-CG 4.2Å; Y128-W166 HydrophobicContact CD1-CH2 4.06Å; Y128-W166 AromaticContact CD1-CZ2 3.89Å; Y128-W166 HydrophobicContact CD1-CZ2 3.89Å; Y128-W166 HydrophobicContact CD1-CZ3 4.05Å; Y128-W166 AromaticContact CE1-CD1 3.89Å; Y128-W166 AromaticContact CE1-CD2 3.61Å; Y128-W166 HydrophobicContact CE1-CD2 3.61Å; Y128-W166 AromaticContact CE1-CE2 3.19Å; Y128-W166 HydrophobicContact CE1-CE3 4.22Å; Y128-W166 HydrophobicContact CE1-CG 4.03Å; Y128-W166 HydrophobicContact CE1-CH2 4.09Å; Y128-W166 AromaticContact CE1-CZ2 3.45Å; Y128-W166 HydrophobicContact CE1-CZ2 3.45Å; Y128-W166 VanDerWaalsContact CE1-CZ2 3.45Å; Y128-W166 HydrophobicContact CE1-CZ3 4.44Å; Y128-W166 AromaticContact CE1-NE1 3.41Å; Y129-W166 HydrophobicContact CD2-CB 4.15Å; M162-W166 WeakPolarHBondContact O-CB 3.1Å; M162-W166 VanDerWaalsContact O-CD1 3.28Å; M162-W166 PolarHBondContact O-N 3.06Å; I164-W166 VanDerWaalsContact C-N 3.34Å; I164-W166 PolarHBondContact O-N 2.85Å; W166-I168 VanDerWaalsContact C-N 3.28Å; W166-I168 PolarHBondContact O-N 2.96Å; W166-G169 CarbonylContact O-C 3.58Å; W166-G169 WeakPolarHBondContact O-CA 3.25Å; W166-G169 PolarHBondContact O-N 3.45Å; W166-G169 VanDerWaalsContact O-N 3.1Å; W166-I170 HydrophobicContact CE3-CD1 3.91Å; W166-I170 HydrophobicContact CZ3-CD1 4.14Å; W166-I170 VanDerWaalsContact O-CG1 3.31Å; W166-I170 WeakPolarHBondContact O-CG1 3.47Å; W166-I170 PolarHBondContact O-N 3.29Å; W166-A182 HydrophobicContact CH2-CB 3.89Å; W166-A182 HydrophobicContact CZ2-CB 4.38Å |
| 167 | W | 95.4 | Very high | 92.3 | Very high | 11 Ų | 11 | 22 Ų | 22 | 4% | 0.042 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57.8 | -43.9 | 171 | -178.8 | 84.8 | 0 | 0 | 0 | 111.6 | M39 S42 P43 T46 Y129 F163 I164 I170 K171 W172 | M39-W167 PolarHBondContact O-NE1 3.29Å; S42-W167 PolarHBondContact O-NE1 3.44Å; P43-W167 VanDerWaalsContact CA-CZ2 3.42Å; P43-W167 HydrophobicContact CB-CD2 4.37Å; P43-W167 HydrophobicContact CB-CE3 4.09Å; P43-W167 HydrophobicContact CB-CH2 3.54Å; P43-W167 HydrophobicContact CB-CZ2 3.82Å; P43-W167 HydrophobicContact CB-CZ3 3.67Å; P43-W167 HydrophobicContact CG-CH2 3.92Å; P43-W167 HydrophobicContact CG-CZ2 4.35Å; P43-W167 HydrophobicContact CG-CZ3 4.36Å; T46-W167 HydrophobicContact CG2-CB 3.94Å; T46-W167 HydrophobicContact CG2-CG 4.25Å; Y129-W167 HydrophobicContact CD2-CB 4.17Å; Y129-W167 HydrophobicContact CE2-CB 3.66Å; Y129-W167 HydrophobicContact CE2-CG 4.35Å; Y129-W167 AromaticContact CZ-CD1 3.83Å; F163-W167 PolarHBondContact O-N 2.89Å; I164-W167 WeakPolarHBondContact O-CB 3.36Å; I164-W167 PolarHBondContact O-N 3.42Å; W167-I170 PolarHBondContact O-N 2.87Å; W167-K171 HydrophobicContact CH2-CG 4.26Å; W167-K171 HydrophobicContact CZ2-CG 4.41Å; W167-K171 WeakPolarHBondContact O-CB 3.23Å; W167-K171 PolarHBondContact O-N 2.93Å; W167-W172 HydrophobicContact CE3-CZ3 4.33Å; W167-W172 AromaticContact CH2-CH2 3.93Å; W167-W172 HydrophobicContact CH2-CH2 3.93Å; W167-W172 HydrophobicContact CH2-CZ3 4.23Å; W167-W172 AromaticContact CZ3-CH2 3.71Å; W167-W172 HydrophobicContact CZ3-CH2 3.71Å; W167-W172 AromaticContact CZ3-CZ3 3.66Å; W167-W172 HydrophobicContact CZ3-CZ3 3.66Å |
| 168 | I | 92.6 | Very high | 92.3 | Very high | 56 Ų | 56 | 20.2 Ų | 20.2 | 29% | 0.287 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -62.4 | -46.2 | 173.7 | -59 | 173 | 0 | 0 | 0 | 109.8 | I164 L165 W166 I170 K171 W172 W243 | I164-I168 PolarHBondContact O-N 3.31Å; L165-I168 WeakPolarHBondContact O-CB 3.3Å; L165-I168 PolarHBondContact O-N 3Å; W166-I168 VanDerWaalsContact C-N 3.28Å; W166-I168 PolarHBondContact O-N 2.96Å; I168-I170 PolarHBondContact O-N 3.48Å; I168-K171 PolarHBondContact O-N 3.29Å; I168-W172 HydrophobicContact CB-CE3 4.14Å; I168-W172 HydrophobicContact CB-CZ3 4.01Å; I168-W172 HydrophobicContact CG1-CZ3 4.13Å; I168-W172 HydrophobicContact CG2-CE3 3.53Å; I168-W172 HydrophobicContact CG2-CZ3 3.69Å; I168-W172 PolarHBondContact O-N 2.91Å; I168-W243 HydrophobicContact CG2-CH2 4.08Å; I168-W243 HydrophobicContact CG2-CZ3 4.15Å |
| 169 | G | 92.4 | Very high | 92.5 | Very high | 7 Ų | 7 | 19.2 Ų | 19.2 | 7% | 0.072 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -52.6 | -50.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L165 W166 V173 | L165-G169 PolarHBondContact O-N 3.18Å; W166-G169 CarbonylContact O-C 3.58Å; W166-G169 WeakPolarHBondContact O-CA 3.25Å; W166-G169 PolarHBondContact O-N 3.45Å; W166-G169 VanDerWaalsContact O-N 3.1Å; G169-V173 CarbonylContact O-C 3.03Å; G169-V173 VanDerWaalsContact O-CA 3.27Å; G169-V173 WeakPolarHBondContact O-CA 3.32Å; G169-V173 PolarHBondContact O-N 2.73Å |
| 170 | I | 94.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -70.5 | -35.9 | -178.4 | -55.7 | -45.3 | 0 | 0 | 0 | 111.6 | V34 M40 L125 W126 Y129 W166 W167 I168 W172 P174 | V34-I170 HydrophobicContact CB-CG2 4.44Å; V34-I170 HydrophobicContact CG1-CG2 4.21Å; M40-I170 HydrophobicContact CE-CB 3.84Å; M40-I170 HydrophobicContact CE-CG2 3.68Å; M40-I170 HydrophobicContact SD-CB 4.19Å; M40-I170 HydrophobicContact SD-CG2 3.87Å; L125-I170 VanDerWaalsContact C-CD1 3.43Å; L125-I170 HydrophobicContact CB-CD1 3.47Å; L125-I170 VanDerWaalsContact CB-CD1 3.47Å; L125-I170 VanDerWaalsContact O-CD1 3.3Å; L125-I170 WeakPolarHBondContact O-CD1 3.39Å; W126-I170 HydrophobicContact CB-CG2 4.1Å; Y129-I170 HydrophobicContact CG-CG1 4.4Å; W166-I170 HydrophobicContact CE3-CD1 3.91Å; W166-I170 HydrophobicContact CZ3-CD1 4.14Å; W166-I170 VanDerWaalsContact O-CG1 3.31Å; W166-I170 WeakPolarHBondContact O-CG1 3.47Å; W166-I170 PolarHBondContact O-N 3.29Å; W167-I170 PolarHBondContact O-N 2.87Å; I168-I170 PolarHBondContact O-N 3.48Å; I170-W172 VanDerWaalsContact C-N 3.34Å; I170-W172 PolarHBondContact O-N 3.24Å; I170-P174 HydrophobicContact CG2-CB 4.29Å; I170-P174 WeakPolarHBondContact O-CB 3.39Å; I170-P174 WeakPolarHBondContact O-CD 3.46Å; I170-P174 WeakPolarHBondContact O-CG 3.36Å |
| 171 | K | 93.9 | Very high | 92.6 | Very high | 8 Ų | 8 | 20 Ų | 20 | 4% | 0.035 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67.4 | -34.8 | -176.1 | -173.9 | 63.7 | 173.7 | -179.4 | 0 | 112.8 | A30 D31 M40 W167 I168 | A30-K171 HydrophobicContact CB-CD 4.22Å; A30-K171 HydrophobicContact CB-CG 4.23Å; D31-K171 PolarHBondContact N-O 3.18Å; M40-K171 VanDerWaalsContact CE-CA 3.46Å; M40-K171 HydrophobicContact CE-CB 3.67Å; M40-K171 HydrophobicContact CE-CD 3.93Å; M40-K171 HydrophobicContact CE-CG 4.42Å; M40-K171 PolarHBondContact O-NZ 2.91Å; W167-K171 HydrophobicContact CH2-CG 4.26Å; W167-K171 HydrophobicContact CZ2-CG 4.41Å; W167-K171 WeakPolarHBondContact O-CB 3.23Å; W167-K171 PolarHBondContact O-N 2.93Å; I168-K171 PolarHBondContact O-N 3.29Å |
| 172 | W | 92.4 | Very high | 92.8 | Very high | 30 Ų | 30 | 18.6 Ų | 18.6 | 11% | 0.114 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -115.7 | -29.7 | -174.4 | -70.9 | -77.3 | 0 | 0 | 0 | 114.7 | S26 Y112 W167 I168 I170 W243 | S26-W172 PolarHBondContact O-NE1 2.66Å; S26-W172 WeakPolarHBondContact OG-CZ2 3.27Å; Y112-W172 WeakPolarHBondContact CE1-O 3.39Å; Y112-W172 PolarHBondContact OH-O 3.09Å; W167-W172 HydrophobicContact CE3-CZ3 4.33Å; W167-W172 AromaticContact CH2-CH2 3.93Å; W167-W172 HydrophobicContact CH2-CH2 3.93Å; W167-W172 HydrophobicContact CH2-CZ3 4.23Å; W167-W172 AromaticContact CZ3-CH2 3.71Å; W167-W172 HydrophobicContact CZ3-CH2 3.71Å; W167-W172 AromaticContact CZ3-CZ3 3.66Å; W167-W172 HydrophobicContact CZ3-CZ3 3.66Å; I168-W172 HydrophobicContact CB-CE3 4.14Å; I168-W172 HydrophobicContact CB-CZ3 4.01Å; I168-W172 HydrophobicContact CG1-CZ3 4.13Å; I168-W172 HydrophobicContact CG2-CE3 3.53Å; I168-W172 HydrophobicContact CG2-CZ3 3.69Å; I168-W172 PolarHBondContact O-N 2.91Å; I170-W172 VanDerWaalsContact C-N 3.34Å; I170-W172 PolarHBondContact O-N 3.24Å; W172-W243 HydrophobicContact CB-CH2 4.37Å; W172-W243 HydrophobicContact CB-CZ2 4.1Å |
| 173 | V | 92.4 | Very high | 93 | Very high | 2 Ų | 2 | 18.4 Ų | 18.4 | 1% | 0.012 | 10% | 0.096 | C | C | . | . | trans | -137.9 | 55.1 | -170.4 | -163.7 | 0 | 0 | 0 | 0 | 111.1 | V110 G169 G175 F240 P241 W243 M244 | V110-V173 HydrophobicContact CB-CG1 4.49Å; V110-V173 HydrophobicContact CG2-CG1 3.33Å; G169-V173 CarbonylContact O-C 3.03Å; G169-V173 VanDerWaalsContact O-CA 3.27Å; G169-V173 WeakPolarHBondContact O-CA 3.32Å; G169-V173 PolarHBondContact O-N 2.73Å; V173-G175 PolarHBondContact O-N 2.98Å; V173-F240 HydrophobicContact CG1-CE1 4.38Å; V173-F240 HydrophobicContact CG1-CE2 3.7Å; V173-F240 HydrophobicContact CG1-CZ 3.59Å; V173-P241 HydrophobicContact CG1-CG 4.04Å; V173-P241 HydrophobicContact CG2-CG 4.1Å; V173-W243 HydrophobicContact CG2-CH2 3.87Å; V173-W243 HydrophobicContact CG2-CZ2 3.37Å; V173-M244 HydrophobicContact CB-CE 3.77Å; V173-M244 HydrophobicContact CG1-CE 4.46Å; V173-M244 HydrophobicContact CG2-CE 3.74Å | ||
| 174 | P | 91.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.006 | 11% | 0.106 | C | C | . | . | trans | -79.7 | 58.5 | -176.5 | 35.4 | -36.4 | 0 | 0 | 0 | 111.9 | D31 V34 A122 I170 | D31-P174 HydrophobicContact CB-CG 3.88Å; D31-P174 WeakPolarHBondContact OD2-CD 3.4Å; D31-P174 WeakPolarHBondContact OD2-CG 3.46Å; V34-P174 HydrophobicContact CG1-CB 4.14Å; V34-P174 HydrophobicContact CG1-CG 4.07Å; A122-P174 WeakPolarHBondContact CA-O 3.35Å; A122-P174 HydrophobicContact CB-CB 3.91Å; A122-P174 HydrophobicContact CB-CG 4.37Å; A122-P174 WeakPolarHBondContact CB-O 3.24Å; I170-P174 HydrophobicContact CG2-CB 4.29Å; I170-P174 WeakPolarHBondContact O-CB 3.39Å; I170-P174 WeakPolarHBondContact O-CD 3.46Å; I170-P174 WeakPolarHBondContact O-CG 3.36Å | ||
| 175 | G | 92.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.01 | 10% | 0.096 | C | C | . | . | S | Bend | trans | 168.7 | -160.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V173 S178 F240 | V173-G175 PolarHBondContact O-N 2.98Å; G175-S178 PolarHBondContact O-OG 3.21Å; G175-F240 WeakPolarHBondContact O-CE2 3.41Å |
| 176 | G | 91.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | -147.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | Y103 P109 S178 F179 | Y103-G176 PolarHBondContact OH-N 3.21Å; P109-G176 VanDerWaalsContact O-CA 3.31Å; P109-G176 WeakPolarHBondContact O-CA 3.45Å; G176-S178 PolarHBondContact O-N 2.97Å; G176-F179 WeakPolarHBondContact O-CD1 2.96Å; G176-F179 PolarHBondContact O-N 3.44Å |
| 177 | Q | 90.9 | Very high | 93.5 | Very high | 9 Ų | 9 | 15.5 Ų | 15.5 | 4% | 0.042 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | -25.9 | -177.7 | -81.3 | -85.8 | -65.6 | 0 | 0 | 116 | L106 Q108 F179 F180 H229 F240 | L106-Q177 PolarHBondContact O-NE2 2.84Å; Q108-Q177 HydrophobicContact CB-CG 4.38Å; Q108-Q177 WeakPolarHBondContact O-CG 3.21Å; Q108-Q177 PolarHBondContact O-N 3.26Å; Q177-F179 PolarHBondContact O-N 2.67Å; Q177-F179 VanDerWaalsContact O-N 3.17Å; Q177-F180 PolarHBondContact O-N 2.84Å; Q177-H229 PolarHBondContact NE2-CE1 2.93Å; Q177-H229 VanDerWaalsContact NE2-CE1 3.33Å; Q177-H229 PolarHBondContact NE2-NE2 3.09Å; Q177-H229 PolarHBondContact OE1-CE1 3.33Å; Q177-H229 PolarHBondContact OE1-ND1 2.94Å; Q177-H229 PolarHBondContact OE1-NE2 3.22Å; Q177-F240 HydrophobicContact CB-CD1 4.39Å; Q177-F240 HydrophobicContact CB-CD2 3.71Å; Q177-F240 HydrophobicContact CB-CE1 4.4Å; Q177-F240 HydrophobicContact CB-CE2 3.83Å; Q177-F240 HydrophobicContact CB-CG 3.98Å; Q177-F240 HydrophobicContact CB-CZ 4.15Å; Q177-F240 HydrophobicContact CG-CB 4.38Å; Q177-F240 HydrophobicContact CG-CD2 4.22Å; Q177-F240 HydrophobicContact CG-CG 4.29Å; Q177-F240 VanDerWaalsContact N-CE2 3.34Å |
| 178 | S | 90.3 | Very high | 93.5 | Very high | 23 Ų | 23 | 15.5 Ų | 15.5 | 16% | 0.161 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.4 | -25.7 | 177.7 | 66.4 | 0 | 0 | 0 | 0 | 113.7 | G175 G176 F180 A182 | G175-S178 PolarHBondContact O-OG 3.21Å; G176-S178 PolarHBondContact O-N 2.97Å; S178-F180 PolarHBondContact O-N 2.87Å; S178-A182 PolarHBondContact O-N 3.31Å |
| 179 | F | 93.1 | Very high | 93.7 | Very high | 2 Ų | 2 | 13.5 Ų | 13.5 | 1% | 0.009 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -57.7 | -36.1 | 179.4 | 94.2 | -76.2 | 0 | 0 | 0 | 112.8 | L94 Y103 Y105 I121 G176 Q177 A182 T183 | L94-F179 HydrophobicContact CD2-CB 4.44Å; Y103-F179 AromaticContact CD2-CD1 3.74Å; Y103-F179 HydrophobicContact CD2-CD1 3.74Å; Y103-F179 HydrophobicContact CD2-CD2 4.3Å; Y103-F179 AromaticContact CD2-CE1 3.83Å; Y103-F179 HydrophobicContact CD2-CE1 3.83Å; Y103-F179 HydrophobicContact CD2-CE2 4.4Å; Y103-F179 AromaticContact CD2-CG 3.95Å; Y103-F179 HydrophobicContact CD2-CG 3.95Å; Y103-F179 HydrophobicContact CD2-CZ 4.17Å; Y103-F179 HydrophobicContact CE2-CB 4.45Å; Y103-F179 HydrophobicContact CE2-CD1 4.14Å; Y103-F179 HydrophobicContact CE2-CG 4.25Å; Y105-F179 HydrophobicContact CD1-CE2 4.25Å; Y105-F179 AromaticContact CD1-CZ 3.8Å; Y105-F179 HydrophobicContact CD1-CZ 3.8Å; Y105-F179 AromaticContact CE1-CE2 3.96Å; Y105-F179 HydrophobicContact CE1-CE2 3.96Å; Y105-F179 AromaticContact CE1-CZ 3.97Å; Y105-F179 HydrophobicContact CE1-CZ 3.97Å; Y105-F179 HydrophobicContact CG-CZ 4.45Å; I121-F179 HydrophobicContact CG2-CB 4.48Å; G176-F179 WeakPolarHBondContact O-CD1 2.96Å; G176-F179 PolarHBondContact O-N 3.44Å; Q177-F179 PolarHBondContact O-N 2.67Å; Q177-F179 VanDerWaalsContact O-N 3.17Å; F179-A182 PolarHBondContact O-N 2.87Å; F179-T183 VanDerWaalsContact O-CB 3.32Å; F179-T183 WeakPolarHBondContact O-CB 3.29Å; F179-T183 PolarHBondContact O-N 3.49Å; F179-T183 PolarHBondContact O-OG1 3.42Å |
| 180 | F | 92.8 | Very high | 93.9 | Very high | 37 Ų | 37 | 14.6 Ų | 14.6 | 16% | 0.162 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -67.3 | -51.7 | -172.1 | -179.4 | -103.7 | 0 | 0 | 0 | 111 | Y105 Q177 S178 A182 T183 I184 V225 H229 | Y105-F180 HydrophobicContact CD1-CD2 4.11Å; Y105-F180 HydrophobicContact CD1-CE2 4.34Å; Q177-F180 PolarHBondContact O-N 2.84Å; S178-F180 PolarHBondContact O-N 2.87Å; F180-A182 PolarHBondContact O-N 3.38Å; F180-T183 PolarHBondContact O-N 3.28Å; F180-I184 HydrophobicContact CD1-CD1 3.99Å; F180-I184 HydrophobicContact CD2-CD1 4.37Å; F180-I184 HydrophobicContact CE1-CD1 3.48Å; F180-I184 VanDerWaalsContact CE1-CD1 3.48Å; F180-I184 HydrophobicContact CE2-CD1 3.9Å; F180-I184 HydrophobicContact CG-CD1 4.42Å; F180-I184 HydrophobicContact CZ-CD1 3.44Å; F180-I184 VanDerWaalsContact CZ-CD1 3.44Å; F180-I184 WeakPolarHBondContact O-CG1 3.1Å; F180-I184 PolarHBondContact O-N 2.93Å; F180-I184 VanDerWaalsContact O-N 3.09Å; F180-V225 HydrophobicContact CE1-CG1 3.85Å; F180-V225 HydrophobicContact CZ-CG1 3.99Å; F180-H229 HydrophobicContact CD1-CB 4.03Å; F180-H229 AromaticContact CD1-CD2 3.82Å; F180-H229 AromaticContact CD1-CE1 3.57Å; F180-H229 AromaticContact CD1-CG 3.5Å; F180-H229 AromaticContact CD1-ND1 3.35Å; F180-H229 VanDerWaalsContact CD1-ND1 3.35Å; F180-H229 WeakPolarHBondContact CD1-ND1 3.43Å; F180-H229 AromaticContact CD1-NE2 3.84Å; F180-H229 HydrophobicContact CE1-CB 3.85Å; F180-H229 AromaticContact CE1-CD2 3.89Å; F180-H229 AromaticContact CE1-CG 3.69Å; F180-H229 AromaticContact CG-CE1 3.67Å; F180-H229 AromaticContact CG-ND1 3.93Å; F180-H229 AromaticContact CG-NE2 3.88Å |
| 181 | G | 92.1 | Very high | 94 | Very high | 16 Ų | 16 | 18.3 Ų | 18.3 | 17% | 0.165 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.5 | -42.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | N185 | G181-N185 VanDerWaalsContact O-CB 3.24Å; G181-N185 WeakPolarHBondContact O-CB 3.37Å; G181-N185 PolarHBondContact O-N 3.49Å |
| 182 | A | 94.6 | Very high | 94 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63 | -43.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | L94 L125 Y128 W166 S178 F179 F180 N185 S186 | L94-A182 HydrophobicContact CD1-CB 3.7Å; L125-A182 HydrophobicContact CD2-CB 3.56Å; Y128-A182 HydrophobicContact CD2-CB 4.07Å; Y128-A182 HydrophobicContact CE2-CB 4.21Å; Y128-A182 HydrophobicContact CG-CB 4.24Å; W166-A182 HydrophobicContact CH2-CB 3.89Å; W166-A182 HydrophobicContact CZ2-CB 4.38Å; S178-A182 PolarHBondContact O-N 3.31Å; F179-A182 PolarHBondContact O-N 2.87Å; F180-A182 PolarHBondContact O-N 3.38Å; A182-N185 PolarHBondContact O-N 3.46Å; A182-S186 WeakPolarHBondContact O-CB 3.44Å; A182-S186 PolarHBondContact O-N 3.14Å; A182-S186 PolarHBondContact O-OG 3.5Å |
| 183 | T | 96.2 | Very high | 94.2 | Very high | 19 Ų | 19 | 17.6 Ų | 17.6 | 12% | 0.117 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.8 | -47.5 | 179.2 | -56.7 | 0 | 0 | 0 | 0 | 111.4 | L94 F179 F180 S187 | L94-T183 VanDerWaalsContact CB-OG1 3.25Å; L94-T183 WeakPolarHBondContact CB-OG1 3.45Å; F179-T183 VanDerWaalsContact O-CB 3.32Å; F179-T183 WeakPolarHBondContact O-CB 3.29Å; F179-T183 PolarHBondContact O-N 3.49Å; F179-T183 PolarHBondContact O-OG1 3.42Å; F180-T183 PolarHBondContact O-N 3.28Å; T183-S187 WeakPolarHBondContact O-CB 3.27Å; T183-S187 PolarHBondContact O-N 2.93Å; T183-S187 PolarHBondContact O-OG 3.46Å |
| 184 | I | 95.4 | Very high | 94.3 | Very high | 41 Ų | 41 | 18.2 Ų | 18.2 | 21% | 0.21 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.6 | -45.8 | 178.8 | -63.6 | 174.7 | 0 | 0 | 0 | 110.3 | F180 S186 S187 I188 Q222 V225 | F180-I184 HydrophobicContact CD1-CD1 3.99Å; F180-I184 HydrophobicContact CD2-CD1 4.37Å; F180-I184 HydrophobicContact CE1-CD1 3.48Å; F180-I184 VanDerWaalsContact CE1-CD1 3.48Å; F180-I184 HydrophobicContact CE2-CD1 3.9Å; F180-I184 HydrophobicContact CG-CD1 4.42Å; F180-I184 HydrophobicContact CZ-CD1 3.44Å; F180-I184 VanDerWaalsContact CZ-CD1 3.44Å; F180-I184 WeakPolarHBondContact O-CG1 3.1Å; F180-I184 PolarHBondContact O-N 2.93Å; F180-I184 VanDerWaalsContact O-N 3.09Å; I184-S186 PolarHBondContact O-N 3.47Å; I184-S187 PolarHBondContact O-N 2.9Å; I184-I188 HydrophobicContact CG2-CD1 3.85Å; I184-I188 PolarHBondContact O-N 2.8Å; I184-Q222 HydrophobicContact CG2-CB 3.85Å; I184-Q222 HydrophobicContact CG2-CG 3.66Å; I184-V225 HydrophobicContact CD1-CG1 4.07Å |
| 185 | N | 95.1 | Very high | 94.5 | Very high | 9 Ų | 9 | 19.6 Ų | 19.6 | 5% | 0.048 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.9 | -48.4 | 179.4 | -178.3 | -88.1 | 0 | 0 | 0 | 111.7 | Y128 K132 G181 A182 S187 I188 H189 Q222 | Y128-N185 HydrophobicContact CE2-CB 3.99Å; Y128-N185 VanDerWaalsContact CE2-OD1 3.27Å; Y128-N185 WeakPolarHBondContact CE2-OD1 3.12Å; Y128-N185 WeakPolarHBondContact OH-CB 3.35Å; Y128-N185 PolarHBondContact OH-OD1 3.42Å; K132-N185 PolarHBondContact NZ-OD1 3.27Å; G181-N185 VanDerWaalsContact O-CB 3.24Å; G181-N185 WeakPolarHBondContact O-CB 3.37Å; G181-N185 PolarHBondContact O-N 3.49Å; A182-N185 PolarHBondContact O-N 3.46Å; N185-S187 VanDerWaalsContact C-N 3.33Å; N185-S187 PolarHBondContact O-N 3.28Å; N185-I188 PolarHBondContact O-N 3.43Å; N185-H189 WeakPolarHBondContact O-CB 3.3Å; N185-H189 PolarHBondContact O-CD2 3.02Å; N185-H189 VanDerWaalsContact O-CD2 3.25Å; N185-H189 PolarHBondContact O-N 3.37Å; N185-Q222 PolarHBondContact ND2-NE2 3.17Å |
| 186 | S | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.5 | -40.3 | 176.9 | -73.7 | 0 | 0 | 0 | 0 | 112.1 | I90 Y128 A182 I184 I188 H189 V190 | I90-S186 WeakPolarHBondContact CG2-OG 3.33Å; Y128-S186 VanDerWaalsContact CD2-OG 3.26Å; Y128-S186 WeakPolarHBondContact CD2-OG 3.45Å; A182-S186 WeakPolarHBondContact O-CB 3.44Å; A182-S186 PolarHBondContact O-N 3.14Å; A182-S186 PolarHBondContact O-OG 3.5Å; I184-S186 PolarHBondContact O-N 3.47Å; S186-I188 VanDerWaalsContact C-N 3.29Å; S186-I188 PolarHBondContact O-N 3.32Å; S186-H189 PolarHBondContact O-N 3.28Å; S186-V190 WeakPolarHBondContact O-CG2 3.36Å; S186-V190 PolarHBondContact O-N 3.21Å |
| 187 | S | 97.2 | Very high | 94.5 | Very high | 53 Ų | 53 | 24.4 Ų | 24.4 | 37% | 0.371 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -60.7 | -39 | 175.9 | -59.1 | 0 | 0 | 0 | 0 | 112.2 | T183 I184 N185 V190 L191 | T183-S187 WeakPolarHBondContact O-CB 3.27Å; T183-S187 PolarHBondContact O-N 2.93Å; T183-S187 PolarHBondContact O-OG 3.46Å; I184-S187 PolarHBondContact O-N 2.9Å; N185-S187 VanDerWaalsContact C-N 3.33Å; N185-S187 PolarHBondContact O-N 3.28Å; S187-V190 WeakPolarHBondContact O-CB 3.44Å; S187-V190 PolarHBondContact O-N 3.36Å; S187-L191 PolarHBondContact O-N 2.96Å |
| 188 | I | 95.8 | Very high | 94.6 | Very high | 11 Ų | 11 | 26.4 Ų | 26.4 | 6% | 0.056 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -75.2 | -34.3 | 176.7 | -72.6 | 167.9 | 0 | 0 | 0 | 111.6 | I184 N185 S186 V190 L191 M192 I218 Q219 Q222 | I184-I188 HydrophobicContact CG2-CD1 3.85Å; I184-I188 PolarHBondContact O-N 2.8Å; N185-I188 PolarHBondContact O-N 3.43Å; S186-I188 VanDerWaalsContact C-N 3.29Å; S186-I188 PolarHBondContact O-N 3.32Å; I188-V190 VanDerWaalsContact C-N 3.3Å; I188-V190 PolarHBondContact O-N 3.25Å; I188-L191 PolarHBondContact O-N 2.78Å; I188-L191 VanDerWaalsContact O-N 3.12Å; I188-M192 WeakPolarHBondContact O-CB 3.35Å; I188-M192 PolarHBondContact O-N 3.22Å; I188-I218 HydrophobicContact CD1-CG2 3.59Å; I188-I218 HydrophobicContact CG1-CG2 3.71Å; I188-Q219 HydrophobicContact CG2-CG 3.51Å; I188-Q222 HydrophobicContact CD1-CB 3.36Å; I188-Q222 HydrophobicContact CD1-CG 3.96Å |
| 189 | H | 95.6 | Very high | 94.6 | Very high | 14 Ų | 14 | 26.3 Ų | 26.3 | 7% | 0.065 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.2 | -34.4 | 173.3 | -84.2 | -135.9 | 0 | 0 | 0 | 111.8 | N87 K132 E135 N185 S186 L191 M192 Y193 | N87-H189 HydrophobicContact CB-CB 4.1Å; N87-H189 VanDerWaalsContact CG-CB 3.49Å; N87-H189 WeakPolarHBondContact OD1-CB 3.49Å; K132-H189 PolarHBondContact NZ-CE1 2.91Å; E135-H189 IonicContact OE1-CE1 2.94Å; E135-H189 PolarHBondContact OE1-CE1 3.36Å; E135-H189 IonicContact OE1-ND1 2.84Å; E135-H189 PolarHBondContact OE1-ND1 3.3Å; E135-H189 IonicContact OE2-CE1 2.94Å; E135-H189 PolarHBondContact OE2-CE1 3.32Å; N185-H189 WeakPolarHBondContact O-CB 3.3Å; N185-H189 PolarHBondContact O-CD2 3.02Å; N185-H189 VanDerWaalsContact O-CD2 3.25Å; N185-H189 PolarHBondContact O-N 3.37Å; S186-H189 PolarHBondContact O-N 3.28Å; H189-L191 VanDerWaalsContact C-N 3.31Å; H189-L191 PolarHBondContact O-N 3.44Å; H189-M192 PolarHBondContact O-N 2.84Å; H189-Y193 HydrophobicContact CB-CD2 4.11Å; H189-Y193 HydrophobicContact CB-CE2 4.22Å; H189-Y193 AromaticContact ND1-CE2 3.61Å; H189-Y193 WeakPolarHBondContact O-CB 3.47Å; H189-Y193 VanDerWaalsContact O-CD2 3.25Å; H189-Y193 WeakPolarHBondContact O-CD2 3.02Å; H189-Y193 PolarHBondContact O-N 2.97Å |
| 190 | V | 97.5 | Very high | 94.5 | Very high | 30 Ų | 30 | 27 Ų | 27 | 18% | 0.182 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -55.5 | -47.8 | 169.2 | 169.2 | 0 | 0 | 0 | 0 | 110.7 | V84 N87 F88 S186 S187 I188 G194 | V84-V190 HydrophobicContact CG1-CG1 4.25Å; N87-V190 HydrophobicContact CB-CG2 3.75Å; F88-V190 HydrophobicContact CB-CG2 3.86Å; F88-V190 VanDerWaalsContact N-CG2 3.28Å; S186-V190 WeakPolarHBondContact O-CG2 3.36Å; S186-V190 PolarHBondContact O-N 3.21Å; S187-V190 WeakPolarHBondContact O-CB 3.44Å; S187-V190 PolarHBondContact O-N 3.36Å; I188-V190 VanDerWaalsContact C-N 3.3Å; I188-V190 PolarHBondContact O-N 3.25Å; V190-G194 PolarHBondContact O-N 2.61Å |
| 191 | L | 96.3 | Very high | 94.4 | Very high | 78 Ų | 78 | 28.2 Ų | 28.2 | 41% | 0.408 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -68.5 | -42.3 | 179.5 | -60.3 | 177.7 | 0 | 0 | 0 | 112.2 | S187 I188 H189 G194 Y195 L215 | S187-L191 PolarHBondContact O-N 2.96Å; I188-L191 PolarHBondContact O-N 2.78Å; I188-L191 VanDerWaalsContact O-N 3.12Å; H189-L191 VanDerWaalsContact C-N 3.31Å; H189-L191 PolarHBondContact O-N 3.44Å; L191-G194 PolarHBondContact O-N 3.43Å; L191-Y195 WeakPolarHBondContact O-CB 3.13Å; L191-Y195 PolarHBondContact O-N 2.93Å; L191-L215 HydrophobicContact CB-CD2 3.72Å |
| 192 | M | 94.4 | Very high | 94.1 | Very high | 22 Ų | 22 | 27.7 Ų | 27.7 | 11% | 0.108 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.9 | -51.6 | -178.6 | -173.6 | -165.5 | 74.9 | 0 | 0 | 111.7 | I188 H189 G194 Y195 Y196 Q219 | I188-M192 WeakPolarHBondContact O-CB 3.35Å; I188-M192 PolarHBondContact O-N 3.22Å; H189-M192 PolarHBondContact O-N 2.84Å; M192-G194 VanDerWaalsContact C-N 3.29Å; M192-G194 PolarHBondContact O-N 3.38Å; M192-Y195 WeakPolarHBondContact O-CB 3.33Å; M192-Y195 PolarHBondContact O-N 3.29Å; M192-Y196 HydrophobicContact CE-CD2 4.44Å; M192-Y196 HydrophobicContact CE-CE2 4.11Å; M192-Y196 HydrophobicContact CG-CD2 3.97Å; M192-Y196 HydrophobicContact CG-CE2 3.49Å; M192-Y196 VanDerWaalsContact CG-CE2 3.49Å; M192-Y196 VanDerWaalsContact O-CD2 3.31Å; M192-Y196 WeakPolarHBondContact O-CD2 3.46Å; M192-Y196 PolarHBondContact O-N 3.25Å; M192-Y196 HydrophobicContact SD-CE2 3.9Å; M192-Q219 PolarHBondContact SD-NE2 3.02Å; M192-Q219 VanDerWaalsContact SD-NE2 3.36Å |
| 193 | Y | 95.9 | Very high | 93.8 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.2 | -31.7 | 176.8 | -74.4 | -66.2 | 0 | 0 | 0 | 111.7 | Y79 N80 M83 E135 D138 H189 Y196 G197 | Y79-Y193 HydrophobicContact CE1-CE1 4.08Å; N80-Y193 WeakPolarHBondContact OD1-CD1 3.48Å; M83-Y193 HydrophobicContact CB-CD1 3.76Å; M83-Y193 HydrophobicContact CB-CD2 3.68Å; M83-Y193 HydrophobicContact CB-CE1 4.17Å; M83-Y193 HydrophobicContact CB-CE2 4.07Å; M83-Y193 HydrophobicContact CB-CG 3.54Å; M83-Y193 HydrophobicContact CE-CD2 4.29Å; M83-Y193 HydrophobicContact CE-CE2 3.6Å; M83-Y193 HydrophobicContact CG-CD1 4.22Å; M83-Y193 HydrophobicContact CG-CE1 4.17Å; M83-Y193 HydrophobicContact CG-CE2 4.45Å; M83-Y193 HydrophobicContact CG-CG 4.42Å; E135-Y193 WeakPolarHBondContact CG-OH 3.35Å; D138-Y193 PolarHBondContact OD2-OH 3.4Å; H189-Y193 HydrophobicContact CB-CD2 4.11Å; H189-Y193 HydrophobicContact CB-CE2 4.22Å; H189-Y193 AromaticContact ND1-CE2 3.61Å; H189-Y193 WeakPolarHBondContact O-CB 3.47Å; H189-Y193 VanDerWaalsContact O-CD2 3.25Å; H189-Y193 WeakPolarHBondContact O-CD2 3.02Å; H189-Y193 PolarHBondContact O-N 2.97Å; Y193-Y196 PolarHBondContact O-N 2.9Å; Y193-G197 PolarHBondContact O-N 2.66Å |
| 194 | G | 95.7 | Very high | 93.5 | Very high | 16 Ų | 16 | 37.4 Ų | 37.4 | 17% | 0.165 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.8 | -47.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V190 L191 M192 Y196 G197 L198 | V190-G194 PolarHBondContact O-N 2.61Å; L191-G194 PolarHBondContact O-N 3.43Å; M192-G194 VanDerWaalsContact C-N 3.29Å; M192-G194 PolarHBondContact O-N 3.38Å; G194-Y196 PolarHBondContact O-N 2.99Å; G194-G197 PolarHBondContact O-N 2.8Å; G194-L198 WeakPolarHBondContact O-CB 3.43Å; G194-L198 VanDerWaalsContact O-CG 3.24Å; G194-L198 WeakPolarHBondContact O-CG 3.25Å; G194-L198 PolarHBondContact O-N 3.16Å |
| 195 | Y | 94.6 | Very high | 93.2 | Very high | 29 Ų | 29 | 37.9 Ų | 37.9 | 11% | 0.114 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.9 | -46.7 | 174.4 | 176.8 | -81.3 | 0 | 0 | 0 | 112.3 | L191 M192 L198 A199 L209 W211 K212 L215 | L191-Y195 WeakPolarHBondContact O-CB 3.13Å; L191-Y195 PolarHBondContact O-N 2.93Å; M192-Y195 WeakPolarHBondContact O-CB 3.33Å; M192-Y195 PolarHBondContact O-N 3.29Å; Y195-L198 PolarHBondContact O-N 2.64Å; Y195-A199 HydrophobicContact CE1-CB 4.41Å; Y195-A199 VanDerWaalsContact O-CB 3.31Å; Y195-A199 WeakPolarHBondContact O-CB 3.42Å; Y195-A199 PolarHBondContact O-N 2.98Å; Y195-L209 HydrophobicContact CD2-CB 4.33Å; Y195-L209 HydrophobicContact CD2-CD1 4.48Å; Y195-L209 HydrophobicContact CD2-CD2 4.13Å; Y195-L209 HydrophobicContact CE2-CB 3.65Å; Y195-L209 HydrophobicContact CE2-CD1 4.21Å; Y195-L209 HydrophobicContact CE2-CD2 4.3Å; Y195-L209 HydrophobicContact CE2-CG 4.27Å; Y195-W211 HydrophobicContact CD2-CD2 4.38Å; Y195-W211 HydrophobicContact CD2-CH2 4.06Å; Y195-W211 AromaticContact CD2-CZ2 3.84Å; Y195-W211 HydrophobicContact CD2-CZ2 3.84Å; Y195-W211 HydrophobicContact CD2-CZ3 4.44Å; Y195-W211 HydrophobicContact CG-CH2 4.43Å; Y195-W211 HydrophobicContact CG-CZ2 4.47Å; Y195-K212 HydrophobicContact CE1-CG 4.34Å; Y195-K212 HydrophobicContact CE2-CB 3.66Å; Y195-K212 HydrophobicContact CE2-CG 4.06Å; Y195-K212 WeakPolarHBondContact OH-CB 3.49Å; Y195-K212 WeakPolarHBondContact OH-CD 3.23Å; Y195-K212 WeakPolarHBondContact OH-CG 3.47Å; Y195-L215 VanDerWaalsContact CB-CD1 3.45Å; Y195-L215 HydrophobicContact CD1-CD1 4.19Å; Y195-L215 HydrophobicContact CD2-CD1 3.4Å; Y195-L215 VanDerWaalsContact CD2-CD1 3.4Å; Y195-L215 HydrophobicContact CE2-CD1 4.2Å; Y195-L215 HydrophobicContact CG-CD1 3.4Å; Y195-L215 VanDerWaalsContact CG-CD1 3.4Å |
| 196 | Y | 91.6 | Very high | 92.9 | Very high | 102 Ų | 102 | 42.4 Ų | 42.4 | 40% | 0.4 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -68.3 | -36.9 | -179.6 | -69.7 | -45.2 | 0 | 0 | 0 | 113 | N80 M192 Y193 G194 A199 A200 | N80-Y196 WeakPolarHBondContact OD1-CB 3.4Å; M192-Y196 HydrophobicContact CE-CD2 4.44Å; M192-Y196 HydrophobicContact CE-CE2 4.11Å; M192-Y196 HydrophobicContact CG-CD2 3.97Å; M192-Y196 HydrophobicContact CG-CE2 3.49Å; M192-Y196 VanDerWaalsContact CG-CE2 3.49Å; M192-Y196 VanDerWaalsContact O-CD2 3.31Å; M192-Y196 WeakPolarHBondContact O-CD2 3.46Å; M192-Y196 PolarHBondContact O-N 3.25Å; M192-Y196 HydrophobicContact SD-CE2 3.9Å; Y193-Y196 PolarHBondContact O-N 2.9Å; G194-Y196 PolarHBondContact O-N 2.99Å; Y196-A199 PolarHBondContact O-N 3.4Å; Y196-A200 WeakPolarHBondContact O-CB 3.33Å; Y196-A200 PolarHBondContact O-N 2.94Å |
| 197 | G | 93.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.9 | -48.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y193 G194 A199 A200 L201 | Y193-G197 PolarHBondContact O-N 2.66Å; G194-G197 PolarHBondContact O-N 2.8Å; G197-A199 VanDerWaalsContact C-N 3.35Å; G197-A199 PolarHBondContact O-N 2.89Å; G197-A200 WeakPolarHBondContact O-CB 3.49Å; G197-A200 PolarHBondContact O-N 3.45Å; G197-L201 PolarHBondContact O-N 2.88Å |
| 198 | L | 93.3 | Very high | 92.2 | Very high | 52 Ų | 52 | 51.8 Ų | 51.8 | 27% | 0.272 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.8 | -38.9 | 175.3 | -66.1 | 173.3 | 0 | 0 | 0 | 112 | G194 Y195 A200 L201 M205 L209 | G194-L198 WeakPolarHBondContact O-CB 3.43Å; G194-L198 VanDerWaalsContact O-CG 3.24Å; G194-L198 WeakPolarHBondContact O-CG 3.25Å; G194-L198 PolarHBondContact O-N 3.16Å; Y195-L198 PolarHBondContact O-N 2.64Å; L198-A200 VanDerWaalsContact C-N 3.27Å; L198-A200 PolarHBondContact O-N 2.86Å; L198-L201 HydrophobicContact CD2-CD1 4.03Å; L198-L201 WeakPolarHBondContact O-CB 3.47Å; L198-L201 PolarHBondContact O-N 3.34Å; L198-L201 VanDerWaalsContact O-N 3.16Å; L198-M205 HydrophobicContact CD2-CE 4.09Å; L198-M205 WeakPolarHBondContact O-CB 3.32Å; L198-L209 HydrophobicContact CB-CD1 4.25Å; L198-L209 HydrophobicContact CB-CD2 4Å; L198-L209 HydrophobicContact CD1-CD2 4.14Å |
| 199 | A | 90.4 | Very high | 92 | Very high | 21 Ų | 21 | 51.8 Ų | 51.8 | 17% | 0.174 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.6 | -31.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y195 Y196 G197 L201 G202 Q206 L209 | Y195-A199 HydrophobicContact CE1-CB 4.41Å; Y195-A199 VanDerWaalsContact O-CB 3.31Å; Y195-A199 WeakPolarHBondContact O-CB 3.42Å; Y195-A199 PolarHBondContact O-N 2.98Å; Y196-A199 PolarHBondContact O-N 3.4Å; G197-A199 VanDerWaalsContact C-N 3.35Å; G197-A199 PolarHBondContact O-N 2.89Å; A199-L201 VanDerWaalsContact C-N 3.28Å; A199-L201 PolarHBondContact O-N 2.93Å; A199-G202 PolarHBondContact O-N 2.84Å; A199-Q206 PolarHBondContact O-NE2 3.42Å; A199-L209 HydrophobicContact CB-CD1 3.63Å |
| 200 | A | 90.6 | Very high | 91.9 | Very high | 16 Ų | 16 | 60.3 Ų | 60.3 | 13% | 0.132 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -72.8 | -18.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | R73 L76 I77 Y196 G197 L198 G202 | R73-A200 VanDerWaalsContact CG-O 3.26Å; R73-A200 WeakPolarHBondContact CG-O 3.41Å; R73-A200 PolarHBondContact NE-O 3.36Å; L76-A200 HydrophobicContact CB-CB 4.28Å; I77-A200 HydrophobicContact CG1-CB 3.66Å; Y196-A200 WeakPolarHBondContact O-CB 3.33Å; Y196-A200 PolarHBondContact O-N 2.94Å; G197-A200 WeakPolarHBondContact O-CB 3.49Å; G197-A200 PolarHBondContact O-N 3.45Å; L198-A200 VanDerWaalsContact C-N 3.27Å; L198-A200 PolarHBondContact O-N 2.86Å; A200-G202 PolarHBondContact O-N 3.45Å; A200-G202 VanDerWaalsContact O-N 3.15Å |
| 201 | L | 89.8 | Confident | 91.5 | Very high | 63 Ų | 63 | 62.3 Ų | 62.3 | 33% | 0.33 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -3 | 171.4 | -63.6 | 174.5 | 0 | 0 | 0 | 113.4 | R73 I77 G197 L198 A199 M205 | R73-L201 PolarHBondContact NH2-O 3.42Å; I77-L201 HydrophobicContact CD1-CD2 3.89Å; I77-L201 HydrophobicContact CG1-CD2 4.25Å; I77-L201 HydrophobicContact CG2-CD2 4.4Å; G197-L201 PolarHBondContact O-N 2.88Å; L198-L201 HydrophobicContact CD2-CD1 4.03Å; L198-L201 WeakPolarHBondContact O-CB 3.47Å; L198-L201 PolarHBondContact O-N 3.34Å; L198-L201 VanDerWaalsContact O-N 3.16Å; A199-L201 VanDerWaalsContact C-N 3.28Å; A199-L201 PolarHBondContact O-N 2.93Å; L201-M205 HydrophobicContact CB-CB 4.04Å; L201-M205 HydrophobicContact CB-CG 3.63Å; L201-M205 HydrophobicContact CD1-CG 4.01Å; L201-M205 HydrophobicContact CG-CG 4.49Å |
| 202 | G | 86.8 | Confident | 91 | Very high | 5 Ų | 5 | 64.5 Ų | 64.5 | 5% | 0.052 | 30% | 0.302 | C | S | . | . | trans | 98.5 | -173.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | A199 A200 H204 M205 Q206 | A199-G202 PolarHBondContact O-N 2.84Å; A200-G202 PolarHBondContact O-N 3.45Å; A200-G202 VanDerWaalsContact O-N 3.15Å; G202-H204 PolarHBondContact O-N 3.39Å; G202-H204 VanDerWaalsContact O-N 3.17Å; G202-M205 PolarHBondContact O-N 3.28Å; G202-Q206 WeakPolarHBondContact O-CG 3.44Å; G202-Q206 PolarHBondContact O-N 3.34Å; G202-Q206 VanDerWaalsContact O-N 3.11Å | ||
| 203 | P | 86.9 | Confident | 90.6 | Very high | 103 Ų | 103 | 70.7 Ų | 70.7 | 67% | 0.669 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -58.1 | -34.1 | -170.1 | -26.2 | 34.7 | 0 | 0 | 0 | 113.9 | M205 Q206 K207 | P203-M205 PolarHBondContact O-N 3Å; P203-Q206 PolarHBondContact O-N 3.17Å; P203-K207 PolarHBondContact O-N 3Å |
| 204 | H | 89.8 | Confident | 90.3 | Very high | 119 Ų | 119 | 76.8 Ų | 76.8 | 55% | 0.551 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -59.5 | -34.2 | 177.1 | -176.9 | -90.3 | 0 | 0 | 0 | 112.9 | G202 K207 Y208 | G202-H204 PolarHBondContact O-N 3.39Å; G202-H204 VanDerWaalsContact O-N 3.17Å; H204-K207 PolarHBondContact NE2-NZ 2.88Å; H204-K207 WeakPolarHBondContact O-CE 3.44Å; H204-K207 WeakPolarHBondContact O-CG 3.3Å; H204-Y208 WeakPolarHBondContact O-CD2 3.34Å; H204-Y208 WeakPolarHBondContact O-CE2 3.27Å |
| 205 | M | 90.3 | Very high | 89.9 | Confident | 51 Ų | 51 | 76.6 Ų | 76.6 | 25% | 0.251 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -90 | -32.5 | 178.3 | -70.1 | -56.5 | -61.1 | 0 | 0 | 112.5 | L198 L201 G202 P203 K207 Y208 | L198-M205 HydrophobicContact CD2-CE 4.09Å; L198-M205 WeakPolarHBondContact O-CB 3.32Å; L201-M205 HydrophobicContact CB-CB 4.04Å; L201-M205 HydrophobicContact CB-CG 3.63Å; L201-M205 HydrophobicContact CD1-CG 4.01Å; L201-M205 HydrophobicContact CG-CG 4.49Å; G202-M205 PolarHBondContact O-N 3.28Å; P203-M205 PolarHBondContact O-N 3Å; M205-K207 PolarHBondContact O-N 3.4Å; M205-Y208 PolarHBondContact O-N 3.05Å; M205-Y208 HydrophobicContact SD-CD2 4.47Å |
| 206 | Q | 88.8 | Confident | 89.5 | Confident | 104 Ų | 104 | 78.6 Ų | 78.6 | 49% | 0.486 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.8 | -31.5 | -178.2 | -72.4 | 173.3 | 11.7 | 0 | 0 | 113.4 | A199 G202 P203 Y208 L209 | A199-Q206 PolarHBondContact O-NE2 3.42Å; G202-Q206 WeakPolarHBondContact O-CG 3.44Å; G202-Q206 PolarHBondContact O-N 3.34Å; G202-Q206 VanDerWaalsContact O-N 3.11Å; P203-Q206 PolarHBondContact O-N 3.17Å; Q206-Y208 PolarHBondContact O-N 3.08Å; Q206-L209 WeakPolarHBondContact O-CB 3.19Å; Q206-L209 PolarHBondContact O-N 3.01Å; Q206-L209 VanDerWaalsContact O-N 3.08Å |
| 207 | K | 89.3 | Confident | 89.2 | Confident | 126 Ų | 126 | 77.3 Ų | 77.3 | 55% | 0.548 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -27.1 | 175.6 | 71.2 | -170.2 | -176.3 | 179.6 | 0 | 113.8 | P203 H204 M205 | P203-K207 PolarHBondContact O-N 3Å; H204-K207 PolarHBondContact NE2-NZ 2.88Å; H204-K207 WeakPolarHBondContact O-CE 3.44Å; H204-K207 WeakPolarHBondContact O-CG 3.3Å; M205-K207 PolarHBondContact O-N 3.4Å |
| 208 | Y | 90.6 | Very high | 89.1 | Confident | 125 Ų | 125 | 80.6 Ų | 80.6 | 49% | 0.49 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -6.1 | 179.1 | -58.4 | -72.8 | 0 | 0 | 0 | 113.2 | H204 M205 Q206 W210 | H204-Y208 WeakPolarHBondContact O-CD2 3.34Å; H204-Y208 WeakPolarHBondContact O-CE2 3.27Å; M205-Y208 PolarHBondContact O-N 3.05Å; M205-Y208 HydrophobicContact SD-CD2 4.47Å; Q206-Y208 PolarHBondContact O-N 3.08Å; Y208-W210 VanDerWaalsContact C-N 3.25Å; Y208-W210 PolarHBondContact O-N 2.85Å |
| 209 | L | 91.8 | Very high | 88.8 | Confident | 11 Ų | 11 | 80 Ų | 80 | 6% | 0.058 | 38% | 0.375 | C | S | . | . | trans | -90.3 | 40 | -174.7 | -63.5 | -178.7 | 0 | 0 | 0 | 113.1 | Y195 L198 A199 Q206 W211 | Y195-L209 HydrophobicContact CD2-CB 4.33Å; Y195-L209 HydrophobicContact CD2-CD1 4.48Å; Y195-L209 HydrophobicContact CD2-CD2 4.13Å; Y195-L209 HydrophobicContact CE2-CB 3.65Å; Y195-L209 HydrophobicContact CE2-CD1 4.21Å; Y195-L209 HydrophobicContact CE2-CD2 4.3Å; Y195-L209 HydrophobicContact CE2-CG 4.27Å; L198-L209 HydrophobicContact CB-CD1 4.25Å; L198-L209 HydrophobicContact CB-CD2 4Å; L198-L209 HydrophobicContact CD1-CD2 4.14Å; A199-L209 HydrophobicContact CB-CD1 3.63Å; Q206-L209 WeakPolarHBondContact O-CB 3.19Å; Q206-L209 PolarHBondContact O-N 3.01Å; Q206-L209 VanDerWaalsContact O-N 3.08Å; L209-W211 HydrophobicContact CD2-CZ2 4.22Å; L209-W211 PolarHBondContact O-N 3Å | ||
| 210 | W | 91.7 | Very high | 88.5 | Confident | 192 Ų | 192 | 81.9 Ų | 81.9 | 73% | 0.727 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -20.1 | 179.4 | 59.8 | -91.6 | 0 | 0 | 0 | 113.3 | Y208 K212 Y214 | Y208-W210 VanDerWaalsContact C-N 3.25Å; Y208-W210 PolarHBondContact O-N 2.85Å; W210-K212 VanDerWaalsContact C-N 3.25Å; W210-K212 PolarHBondContact O-N 2.85Å; W210-Y214 HydrophobicContact CE3-CE2 4.1Å; W210-Y214 HydrophobicContact CZ3-CD2 4.3Å; W210-Y214 AromaticContact CZ3-CE2 3.61Å; W210-Y214 HydrophobicContact CZ3-CE2 3.61Å |
| 211 | W | 90.1 | Very high | 88.4 | Confident | 73 Ų | 73 | 85.6 Ų | 85.6 | 28% | 0.277 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 8.5 | -174 | 57.9 | -84.5 | 0 | 0 | 0 | 114.5 | Y195 L209 K213 Y214 L215 | Y195-W211 HydrophobicContact CD2-CD2 4.38Å; Y195-W211 HydrophobicContact CD2-CH2 4.06Å; Y195-W211 AromaticContact CD2-CZ2 3.84Å; Y195-W211 HydrophobicContact CD2-CZ2 3.84Å; Y195-W211 HydrophobicContact CD2-CZ3 4.44Å; Y195-W211 HydrophobicContact CG-CH2 4.43Å; Y195-W211 HydrophobicContact CG-CZ2 4.47Å; L209-W211 HydrophobicContact CD2-CZ2 4.22Å; L209-W211 PolarHBondContact O-N 3Å; W211-K213 PolarHBondContact O-N 3.11Å; W211-K213 VanDerWaalsContact O-N 3.11Å; W211-Y214 HydrophobicContact CB-CD2 4.07Å; W211-Y214 PolarHBondContact O-N 3.33Å; W211-L215 HydrophobicContact CE3-CD1 3.88Å; W211-L215 HydrophobicContact CE3-CD2 4.14Å; W211-L215 HydrophobicContact CE3-CG 3.63Å; W211-L215 HydrophobicContact CH2-CD1 4.01Å; W211-L215 HydrophobicContact CH2-CD2 4.27Å; W211-L215 HydrophobicContact CH2-CG 4.31Å; W211-L215 HydrophobicContact CZ3-CD1 3.5Å; W211-L215 VanDerWaalsContact CZ3-CD1 3.5Å; W211-L215 HydrophobicContact CZ3-CD2 3.42Å; W211-L215 VanDerWaalsContact CZ3-CD2 3.42Å; W211-L215 HydrophobicContact CZ3-CG 3.36Å; W211-L215 PolarHBondContact O-N 3.44Å |
| 212 | K | 86.6 | Confident | 88.4 | Confident | 123 Ų | 123 | 83.1 Ų | 83.1 | 54% | 0.535 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -48.6 | -40 | 176.2 | -172 | -172.3 | 177.6 | -177.3 | 0 | 113.2 | Y195 W210 Y214 L215 | Y195-K212 HydrophobicContact CE1-CG 4.34Å; Y195-K212 HydrophobicContact CE2-CB 3.66Å; Y195-K212 HydrophobicContact CE2-CG 4.06Å; Y195-K212 WeakPolarHBondContact OH-CB 3.49Å; Y195-K212 WeakPolarHBondContact OH-CD 3.23Å; Y195-K212 WeakPolarHBondContact OH-CG 3.47Å; W210-K212 VanDerWaalsContact C-N 3.25Å; W210-K212 PolarHBondContact O-N 2.85Å; K212-Y214 VanDerWaalsContact C-N 3.32Å; K212-Y214 PolarHBondContact O-N 3.16Å; K212-L215 WeakPolarHBondContact O-CB 3.41Å; K212-L215 PolarHBondContact O-N 2.75Å |
| 213 | K | 85.1 | Confident | 88.3 | Confident | 153 Ų | 153 | 85.5 Ų | 85.5 | 67% | 0.665 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -62.5 | -39.4 | 179.7 | -176.1 | -177 | 176.4 | -175.2 | 0 | 111.9 | W211 L215 T216 I217 | W211-K213 PolarHBondContact O-N 3.11Å; W211-K213 VanDerWaalsContact O-N 3.11Å; K213-L215 VanDerWaalsContact C-N 3.33Å; K213-L215 PolarHBondContact O-N 2.95Å; K213-T216 PolarHBondContact O-N 3.22Å; K213-I217 HydrophobicContact CG-CD1 4.11Å; K213-I217 WeakPolarHBondContact O-CG1 3.29Å; K213-I217 PolarHBondContact O-N 3.38Å; K213-I217 VanDerWaalsContact O-N 3.14Å |
| 214 | Y | 90.1 | Very high | 88.3 | Confident | 129 Ų | 129 | 87.1 Ų | 87.1 | 51% | 0.506 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69.2 | -32.5 | -178.9 | -60.9 | -83.4 | 0 | 0 | 0 | 112 | W210 W211 K212 T216 I217 I218 | W210-Y214 HydrophobicContact CE3-CE2 4.1Å; W210-Y214 HydrophobicContact CZ3-CD2 4.3Å; W210-Y214 AromaticContact CZ3-CE2 3.61Å; W210-Y214 HydrophobicContact CZ3-CE2 3.61Å; W211-Y214 HydrophobicContact CB-CD2 4.07Å; W211-Y214 PolarHBondContact O-N 3.33Å; K212-Y214 VanDerWaalsContact C-N 3.32Å; K212-Y214 PolarHBondContact O-N 3.16Å; Y214-T216 PolarHBondContact O-N 3.48Å; Y214-I217 PolarHBondContact O-N 2.87Å; Y214-I218 VanDerWaalsContact O-CG1 3.31Å; Y214-I218 WeakPolarHBondContact O-CG1 3.31Å; Y214-I218 PolarHBondContact O-N 3.36Å |
| 215 | L | 87.4 | Confident | 88.4 | Confident | 11 Ų | 11 | 84.4 Ų | 84.4 | 6% | 0.058 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -56.5 | -49.7 | 171.5 | -78.3 | 168.7 | 0 | 0 | 0 | 111.8 | L191 Y195 W211 K212 K213 I217 I218 Q219 | L191-L215 HydrophobicContact CB-CD2 3.72Å; Y195-L215 VanDerWaalsContact CB-CD1 3.45Å; Y195-L215 HydrophobicContact CD1-CD1 4.19Å; Y195-L215 HydrophobicContact CD2-CD1 3.4Å; Y195-L215 VanDerWaalsContact CD2-CD1 3.4Å; Y195-L215 HydrophobicContact CE2-CD1 4.2Å; Y195-L215 HydrophobicContact CG-CD1 3.4Å; Y195-L215 VanDerWaalsContact CG-CD1 3.4Å; W211-L215 HydrophobicContact CE3-CD1 3.88Å; W211-L215 HydrophobicContact CE3-CD2 4.14Å; W211-L215 HydrophobicContact CE3-CG 3.63Å; W211-L215 HydrophobicContact CH2-CD1 4.01Å; W211-L215 HydrophobicContact CH2-CD2 4.27Å; W211-L215 HydrophobicContact CH2-CG 4.31Å; W211-L215 HydrophobicContact CZ3-CD1 3.5Å; W211-L215 VanDerWaalsContact CZ3-CD1 3.5Å; W211-L215 HydrophobicContact CZ3-CD2 3.42Å; W211-L215 VanDerWaalsContact CZ3-CD2 3.42Å; W211-L215 HydrophobicContact CZ3-CG 3.36Å; W211-L215 PolarHBondContact O-N 3.44Å; K212-L215 WeakPolarHBondContact O-CB 3.41Å; K212-L215 PolarHBondContact O-N 2.75Å; K213-L215 VanDerWaalsContact C-N 3.33Å; K213-L215 PolarHBondContact O-N 2.95Å; L215-I217 VanDerWaalsContact C-N 3.31Å; L215-I217 PolarHBondContact O-N 3.3Å; L215-I218 PolarHBondContact O-N 3.44Å; L215-Q219 WeakPolarHBondContact O-CG 3.19Å; L215-Q219 PolarHBondContact O-N 3.16Å |
| 216 | T | 85.1 | Confident | 88.3 | Confident | 72 Ų | 72 | 83 Ų | 83 | 44% | 0.442 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64 | -38.7 | 179.8 | -52 | 0 | 0 | 0 | 0 | 111.4 | K213 Y214 Q219 M220 | K213-T216 PolarHBondContact O-N 3.22Å; Y214-T216 PolarHBondContact O-N 3.48Å; T216-Q219 PolarHBondContact O-N 2.94Å; T216-M220 WeakPolarHBondContact O-CG 3.44Å; T216-M220 PolarHBondContact O-N 3.38Å |
| 217 | I | 85.6 | Confident | 88.1 | Confident | 75 Ų | 75 | 80.8 Ų | 80.8 | 39% | 0.385 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.7 | -47.7 | 175.6 | -67.6 | 167.5 | 0 | 0 | 0 | 110.6 | K213 Y214 L215 Q219 M220 I221 | K213-I217 HydrophobicContact CG-CD1 4.11Å; K213-I217 WeakPolarHBondContact O-CG1 3.29Å; K213-I217 PolarHBondContact O-N 3.38Å; K213-I217 VanDerWaalsContact O-N 3.14Å; Y214-I217 PolarHBondContact O-N 2.87Å; L215-I217 VanDerWaalsContact C-N 3.31Å; L215-I217 PolarHBondContact O-N 3.3Å; I217-Q219 VanDerWaalsContact C-N 3.35Å; I217-Q219 PolarHBondContact O-N 3.13Å; I217-M220 PolarHBondContact O-N 2.95Å; I217-I221 HydrophobicContact CG2-CD1 3.81Å; I217-I221 HydrophobicContact CG2-CG1 4.45Å; I217-I221 WeakPolarHBondContact O-CG1 3.45Å; I217-I221 PolarHBondContact O-N 2.73Å |
| 218 | I | 90.4 | Very high | 88.1 | Confident | 69 Ų | 69 | 77 Ų | 77 | 35% | 0.354 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.6 | -40.3 | 179.6 | -69.1 | 167.9 | 0 | 0 | 0 | 111.2 | I188 Y214 L215 M220 I221 Q222 | I188-I218 HydrophobicContact CD1-CG2 3.59Å; I188-I218 HydrophobicContact CG1-CG2 3.71Å; Y214-I218 VanDerWaalsContact O-CG1 3.31Å; Y214-I218 WeakPolarHBondContact O-CG1 3.31Å; Y214-I218 PolarHBondContact O-N 3.36Å; L215-I218 PolarHBondContact O-N 3.44Å; I218-M220 VanDerWaalsContact C-N 3.34Å; I218-M220 PolarHBondContact O-N 3.47Å; I218-I221 PolarHBondContact O-N 3.35Å; I218-Q222 PolarHBondContact O-N 3.39Å |
| 219 | Q | 87.8 | Confident | 88.1 | Confident | 40 Ų | 40 | 72.2 Ų | 72.2 | 19% | 0.187 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.4 | -42.7 | 173.3 | -75.8 | 173.3 | -35 | 0 | 0 | 112 | I188 M192 L215 T216 I217 Q222 F223 | I188-Q219 HydrophobicContact CG2-CG 3.51Å; M192-Q219 PolarHBondContact SD-NE2 3.02Å; M192-Q219 VanDerWaalsContact SD-NE2 3.36Å; L215-Q219 WeakPolarHBondContact O-CG 3.19Å; L215-Q219 PolarHBondContact O-N 3.16Å; T216-Q219 PolarHBondContact O-N 2.94Å; I217-Q219 VanDerWaalsContact C-N 3.35Å; I217-Q219 PolarHBondContact O-N 3.13Å; Q219-Q222 WeakPolarHBondContact O-CB 3.32Å; Q219-Q222 PolarHBondContact O-N 3.07Å; Q219-F223 WeakPolarHBondContact O-CD2 3.36Å; Q219-F223 PolarHBondContact O-N 2.93Å |
| 220 | M | 84.1 | Confident | 87.8 | Confident | 59 Ų | 59 | 71.8 Ų | 71.8 | 29% | 0.291 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.5 | -41.5 | 176.5 | -67.7 | -58.2 | 99.3 | 0 | 0 | 111.7 | T216 I217 I218 Q222 F223 H224 F259 | T216-M220 WeakPolarHBondContact O-CG 3.44Å; T216-M220 PolarHBondContact O-N 3.38Å; I217-M220 PolarHBondContact O-N 2.95Å; I218-M220 VanDerWaalsContact C-N 3.34Å; I218-M220 PolarHBondContact O-N 3.47Å; M220-Q222 VanDerWaalsContact C-N 3.32Å; M220-Q222 PolarHBondContact O-N 2.95Å; M220-F223 HydrophobicContact CE-CD2 3.8Å; M220-F223 HydrophobicContact CE-CE2 3.92Å; M220-F223 PolarHBondContact O-N 3.44Å; M220-H224 PolarHBondContact O-N 3.19Å; M220-H224 PolarHBondContact O-ND1 2.6Å; M220-F259 HydrophobicContact CE-CE1 4.4Å; M220-F259 HydrophobicContact CE-CZ 3.87Å; M220-F259 HydrophobicContact SD-CE1 4.39Å; M220-F259 HydrophobicContact SD-CZ 4.3Å |
| 221 | I | 88.9 | Confident | 87.6 | Confident | 94 Ų | 94 | 64.1 Ų | 64.1 | 48% | 0.482 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.1 | -44.2 | 175.6 | -69.2 | 167.6 | 0 | 0 | 0 | 110.6 | I217 I218 F223 H224 V225 | I217-I221 HydrophobicContact CG2-CD1 3.81Å; I217-I221 HydrophobicContact CG2-CG1 4.45Å; I217-I221 WeakPolarHBondContact O-CG1 3.45Å; I217-I221 PolarHBondContact O-N 2.73Å; I218-I221 PolarHBondContact O-N 3.35Å; I221-F223 VanDerWaalsContact C-N 3.31Å; I221-F223 PolarHBondContact O-N 2.98Å; I221-H224 PolarHBondContact O-N 2.98Å; I221-V225 HydrophobicContact CG2-CG2 3.96Å; I221-V225 WeakPolarHBondContact O-CB 3.31Å; I221-V225 VanDerWaalsContact O-CG2 3.32Å; I221-V225 WeakPolarHBondContact O-CG2 3.46Å; I221-V225 PolarHBondContact O-N 2.58Å |
| 222 | Q | 90 | Very high | 87.6 | Confident | 12 Ų | 12 | 65.5 Ų | 65.5 | 6% | 0.056 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -52.8 | -47.8 | 175.8 | 160.8 | -164.2 | -21.6 | 0 | 0 | 112.4 | I184 N185 I188 I218 Q219 M220 H224 V225 T226 | I184-Q222 HydrophobicContact CG2-CB 3.85Å; I184-Q222 HydrophobicContact CG2-CG 3.66Å; N185-Q222 PolarHBondContact ND2-NE2 3.17Å; I188-Q222 HydrophobicContact CD1-CB 3.36Å; I188-Q222 HydrophobicContact CD1-CG 3.96Å; I218-Q222 PolarHBondContact O-N 3.39Å; Q219-Q222 WeakPolarHBondContact O-CB 3.32Å; Q219-Q222 PolarHBondContact O-N 3.07Å; M220-Q222 VanDerWaalsContact C-N 3.32Å; M220-Q222 PolarHBondContact O-N 2.95Å; Q222-H224 PolarHBondContact O-N 2.72Å; Q222-V225 PolarHBondContact O-N 3.24Å; Q222-T226 WeakPolarHBondContact O-CB 3.36Å; Q222-T226 PolarHBondContact O-N 3.28Å; Q222-T226 PolarHBondContact O-OG1 2.88Å |
| 223 | F | 83.9 | Confident | 87.6 | Confident | 54 Ų | 54 | 59.7 Ų | 59.7 | 24% | 0.237 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61 | -46.7 | -179.5 | -74.4 | -66 | 0 | 0 | 0 | 110.9 | Q219 M220 I221 V225 T226 I227 F255 | Q219-F223 WeakPolarHBondContact O-CD2 3.36Å; Q219-F223 PolarHBondContact O-N 2.93Å; M220-F223 HydrophobicContact CE-CD2 3.8Å; M220-F223 HydrophobicContact CE-CE2 3.92Å; M220-F223 PolarHBondContact O-N 3.44Å; I221-F223 VanDerWaalsContact C-N 3.31Å; I221-F223 PolarHBondContact O-N 2.98Å; F223-V225 PolarHBondContact O-N 3.41Å; F223-T226 PolarHBondContact O-N 3.18Å; F223-I227 WeakPolarHBondContact O-CB 3.47Å; F223-I227 WeakPolarHBondContact O-CD1 3.45Å; F223-I227 WeakPolarHBondContact O-CG1 3.34Å; F223-I227 PolarHBondContact O-N 3.33Å; F223-F255 HydrophobicContact CE1-CE1 4.44Å; F223-F255 HydrophobicContact CZ-CE1 4.24Å |
| 224 | H | 87.5 | Confident | 87.7 | Confident | 137 Ų | 137 | 54.5 Ų | 54.5 | 63% | 0.634 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -63.1 | -42.4 | 178.7 | -68.6 | 81.5 | 0 | 0 | 0 | 112.4 | M220 I221 Q222 I227 G228 | M220-H224 PolarHBondContact O-N 3.19Å; M220-H224 PolarHBondContact O-ND1 2.6Å; I221-H224 PolarHBondContact O-N 2.98Å; Q222-H224 PolarHBondContact O-N 2.72Å; H224-I227 PolarHBondContact O-N 3.27Å; H224-G228 PolarHBondContact O-N 3.46Å |
| 225 | V | 91 | Very high | 87.6 | Confident | 63 Ų | 63 | 58 Ų | 58 | 38% | 0.382 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 177.4 | 169.7 | 0 | 0 | 0 | 0 | 111 | F180 I184 I221 Q222 F223 G228 H229 | F180-V225 HydrophobicContact CE1-CG1 3.85Å; F180-V225 HydrophobicContact CZ-CG1 3.99Å; I184-V225 HydrophobicContact CD1-CG1 4.07Å; I221-V225 HydrophobicContact CG2-CG2 3.96Å; I221-V225 WeakPolarHBondContact O-CB 3.31Å; I221-V225 VanDerWaalsContact O-CG2 3.32Å; I221-V225 WeakPolarHBondContact O-CG2 3.46Å; I221-V225 PolarHBondContact O-N 2.58Å; Q222-V225 PolarHBondContact O-N 3.24Å; F223-V225 PolarHBondContact O-N 3.41Å; V225-G228 PolarHBondContact O-N 3.18Å; V225-H229 VanDerWaalsContact O-CB 3.23Å; V225-H229 WeakPolarHBondContact O-CB 3.15Å; V225-H229 PolarHBondContact O-N 3.02Å |
| 226 | T | 87.8 | Confident | 87.7 | Confident | 22 Ų | 22 | 60.3 Ų | 60.3 | 14% | 0.135 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.8 | -39 | 179.9 | -51.3 | 0 | 0 | 0 | 0 | 111.6 | Q222 F223 A230 L248 | Q222-T226 WeakPolarHBondContact O-CB 3.36Å; Q222-T226 PolarHBondContact O-N 3.28Å; Q222-T226 PolarHBondContact O-OG1 2.88Å; F223-T226 PolarHBondContact O-N 3.18Å; T226-A230 WeakPolarHBondContact O-CB 3.35Å; T226-A230 PolarHBondContact O-N 3.46Å; T226-L248 HydrophobicContact CG2-CD2 4.47Å |
| 227 | I | 86.1 | Confident | 87.7 | Confident | 57 Ų | 57 | 59.9 Ų | 59.9 | 29% | 0.292 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.4 | -46.1 | 175.1 | -67.1 | 163.5 | 0 | 0 | 0 | 110.7 | F223 H224 H229 A230 G231 A252 | F223-I227 WeakPolarHBondContact O-CB 3.47Å; F223-I227 WeakPolarHBondContact O-CD1 3.45Å; F223-I227 WeakPolarHBondContact O-CG1 3.34Å; F223-I227 PolarHBondContact O-N 3.33Å; H224-I227 PolarHBondContact O-N 3.27Å; I227-H229 VanDerWaalsContact C-N 3.32Å; I227-H229 PolarHBondContact O-N 2.74Å; I227-A230 PolarHBondContact O-N 2.88Å; I227-G231 PolarHBondContact O-N 2.93Å; I227-A252 HydrophobicContact CD1-CB 3.58Å; I227-A252 HydrophobicContact CG1-CB 3.56Å |
| 228 | G | 89.1 | Confident | 87.9 | Confident | 45 Ų | 45 | 56.7 Ų | 56.7 | 46% | 0.464 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | H224 V225 G231 Y232 | H224-G228 PolarHBondContact O-N 3.46Å; V225-G228 PolarHBondContact O-N 3.18Å; G228-G231 PolarHBondContact O-N 3.39Å; G228-Y232 WeakPolarHBondContact O-CB 3.44Å; G228-Y232 PolarHBondContact O-N 3.31Å |
| 229 | H | 89.8 | Confident | 87.8 | Confident | 25 Ų | 25 | 58 Ų | 58 | 12% | 0.116 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 174.5 | -177.8 | -109.8 | 0 | 0 | 0 | 112.4 | Y105 Q177 F180 V225 I227 G231 Y232 S233 | Y105-H229 PolarHBondContact O-CD2 3.18Å; Y105-H229 PolarHBondContact O-NE2 3.07Å; Q177-H229 PolarHBondContact NE2-CE1 2.93Å; Q177-H229 VanDerWaalsContact NE2-CE1 3.33Å; Q177-H229 PolarHBondContact NE2-NE2 3.09Å; Q177-H229 PolarHBondContact OE1-CE1 3.33Å; Q177-H229 PolarHBondContact OE1-ND1 2.94Å; Q177-H229 PolarHBondContact OE1-NE2 3.22Å; F180-H229 HydrophobicContact CD1-CB 4.03Å; F180-H229 AromaticContact CD1-CD2 3.82Å; F180-H229 AromaticContact CD1-CE1 3.57Å; F180-H229 AromaticContact CD1-CG 3.5Å; F180-H229 AromaticContact CD1-ND1 3.35Å; F180-H229 VanDerWaalsContact CD1-ND1 3.35Å; F180-H229 WeakPolarHBondContact CD1-ND1 3.43Å; F180-H229 AromaticContact CD1-NE2 3.84Å; F180-H229 HydrophobicContact CE1-CB 3.85Å; F180-H229 AromaticContact CE1-CD2 3.89Å; F180-H229 AromaticContact CE1-CG 3.69Å; F180-H229 AromaticContact CG-CE1 3.67Å; F180-H229 AromaticContact CG-ND1 3.93Å; F180-H229 AromaticContact CG-NE2 3.88Å; V225-H229 VanDerWaalsContact O-CB 3.23Å; V225-H229 WeakPolarHBondContact O-CB 3.15Å; V225-H229 PolarHBondContact O-N 3.02Å; I227-H229 VanDerWaalsContact C-N 3.32Å; I227-H229 PolarHBondContact O-N 2.74Å; H229-G231 PolarHBondContact O-N 3.49Å; H229-Y232 PolarHBondContact O-N 2.77Å; H229-S233 PolarHBondContact O-N 2.95Å |
| 230 | A | 86.5 | Confident | 87.8 | Confident | 3 Ų | 3 | 56.7 Ų | 56.7 | 3% | 0.025 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T226 I227 S233 L234 L248 | T226-A230 WeakPolarHBondContact O-CB 3.35Å; T226-A230 PolarHBondContact O-N 3.46Å; I227-A230 PolarHBondContact O-N 2.88Å; A230-S233 PolarHBondContact O-N 3.21Å; A230-L234 PolarHBondContact O-N 3.41Å; A230-L248 HydrophobicContact CB-CD2 3.5Å; A230-L248 VanDerWaalsContact CB-CD2 3.5Å; A230-L248 HydrophobicContact CB-CG 4.25Å |
| 231 | G | 87.1 | Confident | 87.9 | Confident | 31 Ų | 31 | 55.4 Ų | 55.4 | 32% | 0.32 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64 | -41.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I227 G228 H229 L234 Y235 | I227-G231 PolarHBondContact O-N 2.93Å; G228-G231 PolarHBondContact O-N 3.39Å; H229-G231 PolarHBondContact O-N 3.49Å; G231-L234 PolarHBondContact O-N 3.41Å; G231-Y235 PolarHBondContact O-N 3.24Å |
| 232 | Y | 88.9 | Confident | 87.7 | Confident | 101 Ų | 101 | 54.4 Ų | 54.4 | 40% | 0.396 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 174.7 | 178.4 | -96.2 | 0 | 0 | 0 | 111.5 | L106 G228 H229 L234 Y235 T236 | L106-Y232 HydrophobicContact CB-CE1 3.98Å; L106-Y232 HydrophobicContact CD2-CE1 4.06Å; G228-Y232 WeakPolarHBondContact O-CB 3.44Å; G228-Y232 PolarHBondContact O-N 3.31Å; H229-Y232 PolarHBondContact O-N 2.77Å; Y232-L234 VanDerWaalsContact C-N 3.25Å; Y232-L234 PolarHBondContact O-N 2.87Å; Y232-Y235 PolarHBondContact O-N 3.24Å; Y232-Y235 VanDerWaalsContact O-N 3.08Å; Y232-T236 HydrophobicContact CD1-CG2 4.25Å; Y232-T236 HydrophobicContact CD2-CG2 4.15Å; Y232-T236 HydrophobicContact CE1-CG2 3.73Å; Y232-T236 HydrophobicContact CE2-CG2 3.65Å; Y232-T236 HydrophobicContact CG-CG2 4.44Å; Y232-T236 VanDerWaalsContact CZ-CG2 3.43Å; Y232-T236 PolarHBondContact O-N 2.89Å; Y232-T236 PolarHBondContact O-OG1 3.36Å |
| 233 | S | 87.4 | Confident | 87.5 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.007 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.3 | -36.2 | 177.7 | -178.8 | 0 | 0 | 0 | 0 | 112.9 | H229 A230 C238 Q245 | H229-S233 PolarHBondContact O-N 2.95Å; A230-S233 PolarHBondContact O-N 3.21Å; S233-C238 VanDerWaalsContact O-CB 3.3Å; S233-C238 WeakPolarHBondContact O-CB 3.49Å; S233-C238 PolarHBondContact O-N 3.41Å; S233-C238 VanDerWaalsContact OG-CB 3.23Å; S233-C238 WeakPolarHBondContact OG-CB 3.4Å; S233-Q245 PolarHBondContact OG-NE2 3.48Å |
| 234 | L | 87.3 | Confident | 87.6 | Confident | 45 Ų | 45 | 58.8 Ų | 58.8 | 24% | 0.236 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -71.5 | -43.3 | 173.8 | -74.3 | -179.9 | 0 | 0 | 0 | 112 | A230 G231 Y232 T236 G237 Q245 W246 I249 | A230-L234 PolarHBondContact O-N 3.41Å; G231-L234 PolarHBondContact O-N 3.41Å; Y232-L234 VanDerWaalsContact C-N 3.25Å; Y232-L234 PolarHBondContact O-N 2.87Å; L234-T236 VanDerWaalsContact C-N 3.34Å; L234-T236 PolarHBondContact O-N 2.87Å; L234-G237 PolarHBondContact O-N 3.12Å; L234-Q245 HydrophobicContact CD1-CB 4.05Å; L234-Q245 HydrophobicContact CD2-CB 3.58Å; L234-Q245 HydrophobicContact CD2-CG 4.07Å; L234-Q245 HydrophobicContact CG-CB 3.72Å; L234-Q245 HydrophobicContact CG-CG 4.03Å; L234-W246 HydrophobicContact CD1-CD2 4.38Å; L234-W246 HydrophobicContact CD1-CZ2 4.34Å; L234-I249 HydrophobicContact CD1-CD1 3.3Å |
| 235 | Y | 88.8 | Confident | 87.4 | Confident | 202 Ų | 202 | 52.5 Ų | 52.5 | 79% | 0.792 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -61.7 | -40.7 | -179.5 | 176.3 | -104 | 0 | 0 | 0 | 112.4 | G231 Y232 G237 | G231-Y235 PolarHBondContact O-N 3.24Å; Y232-Y235 PolarHBondContact O-N 3.24Å; Y232-Y235 VanDerWaalsContact O-N 3.08Å; Y235-G237 VanDerWaalsContact C-N 3.27Å; Y235-G237 PolarHBondContact O-N 3.35Å |
| 236 | T | 87.9 | Confident | 87.1 | Confident | 60 Ų | 60 | 57.2 Ų | 57.2 | 37% | 0.368 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -0 | 179.7 | 60.1 | 0 | 0 | 0 | 0 | 114.1 | Y232 L234 C238 | Y232-T236 HydrophobicContact CD1-CG2 4.25Å; Y232-T236 HydrophobicContact CD2-CG2 4.15Å; Y232-T236 HydrophobicContact CE1-CG2 3.73Å; Y232-T236 HydrophobicContact CE2-CG2 3.65Å; Y232-T236 HydrophobicContact CG-CG2 4.44Å; Y232-T236 VanDerWaalsContact CZ-CG2 3.43Å; Y232-T236 PolarHBondContact O-N 2.89Å; Y232-T236 PolarHBondContact O-OG1 3.36Å; L234-T236 VanDerWaalsContact C-N 3.34Å; L234-T236 PolarHBondContact O-N 2.87Å; T236-C238 PolarHBondContact O-N 3.32Å |
| 237 | G | 86.5 | Confident | 87 | Confident | 62 Ų | 62 | 58.3 Ų | 58.3 | 64% | 0.639 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 39.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L234 Y235 | L234-G237 PolarHBondContact O-N 3.12Å; Y235-G237 VanDerWaalsContact C-N 3.27Å; Y235-G237 PolarHBondContact O-N 3.35Å |
| 238 | C | 88.2 | Confident | 86.9 | Confident | 9 Ų | 9 | 58.9 Ų | 58.9 | 6% | 0.061 | 33% | 0.325 | C | S | . | . | trans | -59.3 | 137.5 | -178.9 | -169.8 | 0 | 0 | 0 | 0 | 111.1 | C107 Q108 S233 T236 F240 | C107-C238 VanDerWaalsContact C-SG 3.58Å; C107-C238 WeakPolarHBondContact CA-SG 3.5Å; C107-C238 HydrophobicContact CB-CB 3.87Å; C107-C238 WeakPolarHBondContact CB-SG 3.43Å; C107-C238 WeakPolarHBondContact SG-CA 3.43Å; C107-C238 WeakPolarHBondContact SG-CB 3.18Å; C107-C238 CovalentContact SG-SG 2.03Å; C107-C238 PolarHBondContact SG-SG 3.21Å; Q108-C238 PolarHBondContact N-SG 3.49Å; S233-C238 VanDerWaalsContact O-CB 3.3Å; S233-C238 WeakPolarHBondContact O-CB 3.49Å; S233-C238 PolarHBondContact O-N 3.41Å; S233-C238 VanDerWaalsContact OG-CB 3.23Å; S233-C238 WeakPolarHBondContact OG-CB 3.4Å; T236-C238 PolarHBondContact O-N 3.32Å; C238-F240 PolarHBondContact O-N 3Å | ||
| 239 | P | 88.4 | Confident | 86.5 | Confident | 97 Ų | 97 | 58.8 Ų | 58.8 | 63% | 0.63 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -74.2 | 51 | 178.5 | 30.2 | -35.4 | 0 | 0 | 0 | 112.8 | P109 | P109-P239 WeakPolarHBondContact CA-O 3.33Å; P109-P239 HydrophobicContact CB-CB 4.46Å; P109-P239 HydrophobicContact CB-CG 4.09Å; P109-P239 VanDerWaalsContact CB-O 3.31Å; P109-P239 WeakPolarHBondContact CB-O 3.47Å; P109-P239 HydrophobicContact CG-CG 4.43Å |
| 240 | F | 88 | Confident | 86.3 | Confident | 11 Ų | 11 | 59.4 Ų | 59.4 | 5% | 0.048 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -109.5 | 150.5 | 169.9 | -174.2 | -90.6 | 0 | 0 | 0 | 108.5 | V110 V173 G175 Q177 C238 C242 M244 | V110-F240 HydrophobicContact CG2-CD2 3.6Å; V110-F240 HydrophobicContact CG2-CE2 3.42Å; V110-F240 VanDerWaalsContact CG2-CE2 3.42Å; V110-F240 HydrophobicContact CG2-CZ 4.45Å; V173-F240 HydrophobicContact CG1-CE1 4.38Å; V173-F240 HydrophobicContact CG1-CE2 3.7Å; V173-F240 HydrophobicContact CG1-CZ 3.59Å; G175-F240 WeakPolarHBondContact O-CE2 3.41Å; Q177-F240 HydrophobicContact CB-CD1 4.39Å; Q177-F240 HydrophobicContact CB-CD2 3.71Å; Q177-F240 HydrophobicContact CB-CE1 4.4Å; Q177-F240 HydrophobicContact CB-CE2 3.83Å; Q177-F240 HydrophobicContact CB-CG 3.98Å; Q177-F240 HydrophobicContact CB-CZ 4.15Å; Q177-F240 HydrophobicContact CG-CB 4.38Å; Q177-F240 HydrophobicContact CG-CD2 4.22Å; Q177-F240 HydrophobicContact CG-CG 4.29Å; Q177-F240 VanDerWaalsContact N-CE2 3.34Å; C238-F240 PolarHBondContact O-N 3Å; F240-C242 PolarHBondContact O-N 2.97Å; F240-M244 HydrophobicContact CD1-CB 4.45Å; F240-M244 HydrophobicContact CE1-CB 3.7Å; F240-M244 HydrophobicContact CE1-CG 3.61Å; F240-M244 HydrophobicContact CZ-CB 4.45Å; F240-M244 HydrophobicContact CZ-CG 4.03Å |
| 241 | P | 86.9 | Confident | 86.3 | Confident | 32 Ų | 32 | 60.2 Ų | 60.2 | 21% | 0.208 | 33% | 0.328 | C | S | . | . | trans | -58 | 110.7 | -175.9 | -25.8 | 34.8 | 0 | 0 | 0 | 113 | V173 W243 M244 Q245 | V173-P241 HydrophobicContact CG1-CG 4.04Å; V173-P241 HydrophobicContact CG2-CG 4.1Å; P241-W243 HydrophobicContact CB-CG 4.49Å; P241-W243 PolarHBondContact O-N 3.17Å; P241-W243 VanDerWaalsContact O-N 3.11Å; P241-M244 WeakPolarHBondContact O-CB 3.28Å; P241-M244 PolarHBondContact O-N 2.91Å; P241-Q245 PolarHBondContact O-OE1 2.84Å | ||
| 242 | C | 85.1 | Confident | 86.1 | Confident | 74 Ų | 74 | 59.1 Ų | 59.1 | 50% | 0.5 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -55.4 | -35.7 | -175.3 | -61.9 | 0 | 0 | 0 | 0 | 113 | F240 M244 Q245 W246 | F240-C242 PolarHBondContact O-N 2.97Å; C242-M244 PolarHBondContact O-N 2.93Å; C242-Q245 PolarHBondContact O-N 3.24Å; C242-W246 PolarHBondContact O-N 3.34Å |
| 243 | W | 86 | Confident | 85.9 | Confident | 123 Ų | 123 | 57.8 Ų | 57.8 | 47% | 0.466 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.2 | -32.8 | 178.5 | 68.1 | -100.6 | 0 | 0 | 0 | 112.1 | I168 W172 V173 P241 A247 | I168-W243 HydrophobicContact CG2-CH2 4.08Å; I168-W243 HydrophobicContact CG2-CZ3 4.15Å; W172-W243 HydrophobicContact CB-CH2 4.37Å; W172-W243 HydrophobicContact CB-CZ2 4.1Å; V173-W243 HydrophobicContact CG2-CH2 3.87Å; V173-W243 HydrophobicContact CG2-CZ2 3.37Å; P241-W243 HydrophobicContact CB-CG 4.49Å; P241-W243 PolarHBondContact O-N 3.17Å; P241-W243 VanDerWaalsContact O-N 3.11Å; W243-A247 VanDerWaalsContact O-CB 3.28Å; W243-A247 WeakPolarHBondContact O-CB 3.3Å; W243-A247 PolarHBondContact O-N 2.97Å |
| 244 | M | 84.9 | Confident | 85.8 | Confident | 34 Ų | 34 | 59.9 Ų | 59.9 | 17% | 0.167 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -73.8 | -40.3 | 178.5 | -176.8 | 67.2 | 80.8 | 0 | 0 | 111.1 | V173 F240 P241 C242 A247 L248 | V173-M244 HydrophobicContact CB-CE 3.77Å; V173-M244 HydrophobicContact CG1-CE 4.46Å; V173-M244 HydrophobicContact CG2-CE 3.74Å; F240-M244 HydrophobicContact CD1-CB 4.45Å; F240-M244 HydrophobicContact CE1-CB 3.7Å; F240-M244 HydrophobicContact CE1-CG 3.61Å; F240-M244 HydrophobicContact CZ-CB 4.45Å; F240-M244 HydrophobicContact CZ-CG 4.03Å; P241-M244 WeakPolarHBondContact O-CB 3.28Å; P241-M244 PolarHBondContact O-N 2.91Å; C242-M244 PolarHBondContact O-N 2.93Å; M244-A247 PolarHBondContact O-N 3.13Å; M244-L248 WeakPolarHBondContact O-CB 3.35Å; M244-L248 PolarHBondContact O-N 3.49Å |
| 245 | Q | 83.2 | Confident | 85.4 | Confident | 6 Ų | 6 | 58.5 Ų | 58.5 | 3% | 0.028 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 171.7 | -86.2 | 102.4 | 12.9 | 0 | 0 | 112 | S233 L234 P241 C242 A247 L248 I249 | S233-Q245 PolarHBondContact OG-NE2 3.48Å; L234-Q245 HydrophobicContact CD1-CB 4.05Å; L234-Q245 HydrophobicContact CD2-CB 3.58Å; L234-Q245 HydrophobicContact CD2-CG 4.07Å; L234-Q245 HydrophobicContact CG-CB 3.72Å; L234-Q245 HydrophobicContact CG-CG 4.03Å; P241-Q245 PolarHBondContact O-OE1 2.84Å; C242-Q245 PolarHBondContact O-N 3.24Å; Q245-A247 VanDerWaalsContact C-N 3.33Å; Q245-A247 PolarHBondContact O-N 3.46Å; Q245-L248 WeakPolarHBondContact O-CB 3.31Å; Q245-L248 PolarHBondContact O-N 3.37Å; Q245-I249 WeakPolarHBondContact O-CG1 3.45Å; Q245-I249 PolarHBondContact O-N 3.39Å |
| 246 | W | 84.8 | Confident | 85 | Confident | 161 Ų | 161 | 53.8 Ų | 53.8 | 61% | 0.61 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -63.6 | -38.5 | 176.7 | -77.2 | 116.9 | 0 | 0 | 0 | 112.3 | L234 C242 I249 G250 | L234-W246 HydrophobicContact CD1-CD2 4.38Å; L234-W246 HydrophobicContact CD1-CZ2 4.34Å; C242-W246 PolarHBondContact O-N 3.34Å; W246-I249 PolarHBondContact O-N 2.89Å; W246-G250 PolarHBondContact O-N 3.28Å |
| 247 | A | 85.4 | Confident | 84.9 | Confident | 46 Ų | 46 | 55.9 Ų | 55.9 | 38% | 0.38 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62 | -43 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | W243 M244 Q245 G250 Y251 | W243-A247 VanDerWaalsContact O-CB 3.28Å; W243-A247 WeakPolarHBondContact O-CB 3.3Å; W243-A247 PolarHBondContact O-N 2.97Å; M244-A247 PolarHBondContact O-N 3.13Å; Q245-A247 VanDerWaalsContact C-N 3.33Å; Q245-A247 PolarHBondContact O-N 3.46Å; A247-G250 PolarHBondContact O-N 3.38Å; A247-Y251 WeakPolarHBondContact O-CB 3.36Å; A247-Y251 PolarHBondContact O-N 3.47Å |
| 248 | L | 84 | Confident | 84.6 | Confident | 68 Ų | 68 | 54.4 Ų | 54.4 | 36% | 0.356 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64 | -42.1 | 176.4 | 179.3 | 62.1 | 0 | 0 | 0 | 112.2 | T226 A230 M244 Q245 Y251 A252 | T226-L248 HydrophobicContact CG2-CD2 4.47Å; A230-L248 HydrophobicContact CB-CD2 3.5Å; A230-L248 VanDerWaalsContact CB-CD2 3.5Å; A230-L248 HydrophobicContact CB-CG 4.25Å; M244-L248 WeakPolarHBondContact O-CB 3.35Å; M244-L248 PolarHBondContact O-N 3.49Å; Q245-L248 WeakPolarHBondContact O-CB 3.31Å; Q245-L248 PolarHBondContact O-N 3.37Å; L248-Y251 WeakPolarHBondContact O-CB 3.32Å; L248-Y251 PolarHBondContact O-N 3.39Å; L248-A252 WeakPolarHBondContact O-CB 3.27Å; L248-A252 PolarHBondContact O-N 3.48Å |
| 249 | I | 82.1 | Confident | 83.9 | Confident | 44 Ų | 44 | 57.4 Ų | 57.4 | 23% | 0.226 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.1 | -45.6 | 175.3 | -69.7 | 175.1 | 0 | 0 | 0 | 110.7 | L234 Q245 W246 Y251 A252 V253 | L234-I249 HydrophobicContact CD1-CD1 3.3Å; Q245-I249 WeakPolarHBondContact O-CG1 3.45Å; Q245-I249 PolarHBondContact O-N 3.39Å; W246-I249 PolarHBondContact O-N 2.89Å; I249-Y251 VanDerWaalsContact C-N 3.27Å; I249-Y251 PolarHBondContact O-N 3.37Å; I249-A252 WeakPolarHBondContact O-CB 3.47Å; I249-A252 PolarHBondContact O-N 3.47Å; I249-A252 VanDerWaalsContact O-N 3.13Å; I249-V253 HydrophobicContact CG2-CG2 4.48Å; I249-V253 WeakPolarHBondContact O-CG2 3.46Å; I249-V253 PolarHBondContact O-N 3.33Å |
| 250 | G | 85.6 | Confident | 83.4 | Confident | 37 Ų | 37 | 55.5 Ų | 55.5 | 38% | 0.381 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -55.8 | -45.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | W246 A247 V253 T254 | W246-G250 PolarHBondContact O-N 3.28Å; A247-G250 PolarHBondContact O-N 3.38Å; G250-V253 PolarHBondContact O-N 2.87Å; G250-T254 WeakPolarHBondContact O-CG2 3.25Å; G250-T254 PolarHBondContact O-N 2.76Å; G250-T254 VanDerWaalsContact O-N 3.12Å |
| 251 | Y | 86 | Confident | 83.1 | Confident | 20 Ų | 20 | 58.8 Ų | 58.8 | 8% | 0.078 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.8 | -47.3 | 174.2 | -172.7 | -98.9 | 0 | 0 | 0 | 112.6 | Y157 H158 T161 M162 L165 A247 L248 I249 V253 T254 F255 | Y157-Y251 HydrophobicContact CE1-CE2 4.13Å; H158-Y251 PolarHBondContact CD2-OH 2.86Å; H158-Y251 VanDerWaalsContact CD2-OH 3.25Å; T161-Y251 WeakPolarHBondContact OG1-CE2 3.3Å; T161-Y251 PolarHBondContact OG1-OH 3.05Å; M162-Y251 HydrophobicContact CE-CD1 3.94Å; M162-Y251 HydrophobicContact CE-CE1 3.12Å; M162-Y251 HydrophobicContact CE-CE2 4.45Å; M162-Y251 VanDerWaalsContact CE-OH 3.3Å; M162-Y251 WeakPolarHBondContact CE-OH 3.38Å; M162-Y251 WeakPolarHBondContact CG-OH 3.26Å; L165-Y251 HydrophobicContact CD1-CD2 3.61Å; L165-Y251 HydrophobicContact CD1-CE2 3.89Å; L165-Y251 HydrophobicContact CD1-CG 4.32Å; A247-Y251 WeakPolarHBondContact O-CB 3.36Å; A247-Y251 PolarHBondContact O-N 3.47Å; L248-Y251 WeakPolarHBondContact O-CB 3.32Å; L248-Y251 PolarHBondContact O-N 3.39Å; I249-Y251 VanDerWaalsContact C-N 3.27Å; I249-Y251 PolarHBondContact O-N 3.37Å; Y251-V253 VanDerWaalsContact C-N 3.3Å; Y251-V253 PolarHBondContact O-N 3.29Å; Y251-T254 PolarHBondContact O-N 3.33Å; Y251-T254 PolarHBondContact O-OG1 3.05Å; Y251-F255 HydrophobicContact CD1-CD2 4.03Å; Y251-F255 AromaticContact CE1-CD2 3.37Å; Y251-F255 HydrophobicContact CE1-CD2 3.37Å; Y251-F255 AromaticContact CE1-CE2 3.46Å; Y251-F255 HydrophobicContact CE1-CE2 3.46Å; Y251-F255 VanDerWaalsContact CE1-CE2 3.46Å; Y251-F255 HydrophobicContact CE1-CG 4.23Å; Y251-F255 HydrophobicContact CE1-CZ 4.32Å; Y251-F255 HydrophobicContact CE2-CD2 4.18Å; Y251-F255 HydrophobicContact CE2-CE2 4.05Å; Y251-F255 AromaticContact CZ-CD2 3.53Å; Y251-F255 AromaticContact CZ-CE2 3.23Å; Y251-F255 PolarHBondContact O-N 3.45Å; Y251-F255 WeakPolarHBondContact OH-CE2 3.23Å |
| 252 | A | 82.3 | Confident | 82.6 | Confident | 8 Ų | 8 | 63 Ų | 63 | 7% | 0.066 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.7 | -41.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I227 L248 I249 F255 I256 | I227-A252 HydrophobicContact CD1-CB 3.58Å; I227-A252 HydrophobicContact CG1-CB 3.56Å; L248-A252 WeakPolarHBondContact O-CB 3.27Å; L248-A252 PolarHBondContact O-N 3.48Å; I249-A252 WeakPolarHBondContact O-CB 3.47Å; I249-A252 PolarHBondContact O-N 3.47Å; I249-A252 VanDerWaalsContact O-N 3.13Å; A252-F255 VanDerWaalsContact O-CB 3.3Å; A252-F255 WeakPolarHBondContact O-CB 3.4Å; A252-F255 PolarHBondContact O-N 2.89Å; A252-I256 WeakPolarHBondContact O-CG1 3.36Å; A252-I256 PolarHBondContact O-N 2.81Å |
| 253 | V | 84.3 | Confident | 82.1 | Confident | 74 Ų | 74 | 65.9 Ų | 65.9 | 45% | 0.448 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.1 | -46 | 176.2 | 170.8 | 0 | 0 | 0 | 0 | 111 | I249 G250 Y251 F255 I256 I257 | I249-V253 HydrophobicContact CG2-CG2 4.48Å; I249-V253 WeakPolarHBondContact O-CG2 3.46Å; I249-V253 PolarHBondContact O-N 3.33Å; G250-V253 PolarHBondContact O-N 2.87Å; Y251-V253 VanDerWaalsContact C-N 3.3Å; Y251-V253 PolarHBondContact O-N 3.29Å; V253-F255 PolarHBondContact O-N 2.9Å; V253-I256 PolarHBondContact O-N 3.39Å; V253-I257 HydrophobicContact CG1-CD1 3.8Å; V253-I257 HydrophobicContact CG1-CG1 4.45Å; V253-I257 VanDerWaalsContact O-CG1 3.31Å; V253-I257 WeakPolarHBondContact O-CG1 3.31Å; V253-I257 PolarHBondContact O-N 3.05Å |
| 254 | T | 85.7 | Confident | 81.8 | Confident | 45 Ų | 45 | 65.6 Ų | 65.6 | 28% | 0.276 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59 | -39.6 | 175.7 | 65.5 | 0 | 0 | 0 | 0 | 111.5 | Y157 G250 Y251 I257 L258 | Y157-T254 WeakPolarHBondContact OH-CB 3.22Å; Y157-T254 PolarHBondContact OH-OG1 3.29Å; G250-T254 WeakPolarHBondContact O-CG2 3.25Å; G250-T254 PolarHBondContact O-N 2.76Å; G250-T254 VanDerWaalsContact O-N 3.12Å; Y251-T254 PolarHBondContact O-N 3.33Å; Y251-T254 PolarHBondContact O-OG1 3.05Å; T254-I257 PolarHBondContact O-N 3.25Å; T254-L258 WeakPolarHBondContact O-CB 3.41Å; T254-L258 VanDerWaalsContact O-CG 3.25Å; T254-L258 WeakPolarHBondContact O-CG 3.49Å; T254-L258 PolarHBondContact O-N 2.94Å |
| 255 | F | 79.8 | Confident | 81.2 | Confident | 15 Ų | 15 | 68.6 Ų | 68.6 | 7% | 0.066 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.6 | -48.2 | 176.3 | -111.5 | -102.5 | 0 | 0 | 0 | 112.8 | L154 Y157 H158 F223 Y251 A252 V253 I257 L258 F259 | L154-F255 HydrophobicContact CD1-CD1 4.4Å; L154-F255 HydrophobicContact CD1-CE1 4.05Å; L154-F255 HydrophobicContact CD1-CZ 4.15Å; Y157-F255 HydrophobicContact CD1-CE2 4.03Å; Y157-F255 HydrophobicContact CE1-CD2 4.19Å; Y157-F255 HydrophobicContact CE1-CE2 4.04Å; H158-F255 HydrophobicContact CB-CE2 4.23Å; H158-F255 HydrophobicContact CB-CZ 3.66Å; H158-F255 AromaticContact CD2-CE2 3.89Å; H158-F255 AromaticContact CD2-CZ 3.26Å; H158-F255 WeakPolarHBondContact CD2-CZ 3.48Å; H158-F255 AromaticContact CG-CZ 3.73Å; F223-F255 HydrophobicContact CE1-CE1 4.44Å; F223-F255 HydrophobicContact CZ-CE1 4.24Å; Y251-F255 HydrophobicContact CD1-CD2 4.03Å; Y251-F255 AromaticContact CE1-CD2 3.37Å; Y251-F255 HydrophobicContact CE1-CD2 3.37Å; Y251-F255 AromaticContact CE1-CE2 3.46Å; Y251-F255 HydrophobicContact CE1-CE2 3.46Å; Y251-F255 VanDerWaalsContact CE1-CE2 3.46Å; Y251-F255 HydrophobicContact CE1-CG 4.23Å; Y251-F255 HydrophobicContact CE1-CZ 4.32Å; Y251-F255 HydrophobicContact CE2-CD2 4.18Å; Y251-F255 HydrophobicContact CE2-CE2 4.05Å; Y251-F255 AromaticContact CZ-CD2 3.53Å; Y251-F255 AromaticContact CZ-CE2 3.23Å; Y251-F255 PolarHBondContact O-N 3.45Å; Y251-F255 WeakPolarHBondContact OH-CE2 3.23Å; A252-F255 VanDerWaalsContact O-CB 3.3Å; A252-F255 WeakPolarHBondContact O-CB 3.4Å; A252-F255 PolarHBondContact O-N 2.89Å; V253-F255 PolarHBondContact O-N 2.9Å; F255-I257 VanDerWaalsContact C-N 3.33Å; F255-I257 PolarHBondContact O-N 3.25Å; F255-L258 PolarHBondContact O-N 3.42Å; F255-F259 HydrophobicContact CD1-CD2 4.02Å; F255-F259 AromaticContact CD1-CE2 3.81Å; F255-F259 HydrophobicContact CD1-CE2 3.81Å; F255-F259 AromaticContact CE1-CE2 3.97Å; F255-F259 HydrophobicContact CE1-CE2 3.97Å; F255-F259 WeakPolarHBondContact O-CB 3.35Å; F255-F259 WeakPolarHBondContact O-CD2 3.23Å; F255-F259 PolarHBondContact O-N 3.2Å |
| 256 | I | 80.8 | Confident | 80.8 | Confident | 104 Ų | 104 | 71 Ų | 71 | 53% | 0.533 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 177.9 | -68 | 167.9 | 0 | 0 | 0 | 110.5 | A252 V253 L258 F259 A260 | A252-I256 WeakPolarHBondContact O-CG1 3.36Å; A252-I256 PolarHBondContact O-N 2.81Å; V253-I256 PolarHBondContact O-N 3.39Å; I256-L258 PolarHBondContact O-N 2.87Å; I256-F259 PolarHBondContact O-N 2.97Å; I256-A260 VanDerWaalsContact O-CB 3.27Å; I256-A260 WeakPolarHBondContact O-CB 3.48Å; I256-A260 PolarHBondContact O-N 3.46Å |
| 257 | I | 84.2 | Confident | 80.2 | Confident | 104 Ų | 104 | 71 Ų | 71 | 53% | 0.533 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 177.6 | -68.5 | 167.4 | 0 | 0 | 0 | 110.7 | V253 T254 F255 A260 N261 | V253-I257 HydrophobicContact CG1-CD1 3.8Å; V253-I257 HydrophobicContact CG1-CG1 4.45Å; V253-I257 VanDerWaalsContact O-CG1 3.31Å; V253-I257 WeakPolarHBondContact O-CG1 3.31Å; V253-I257 PolarHBondContact O-N 3.05Å; T254-I257 PolarHBondContact O-N 3.25Å; F255-I257 VanDerWaalsContact C-N 3.33Å; F255-I257 PolarHBondContact O-N 3.25Å; I257-A260 PolarHBondContact O-N 2.88Å; I257-N261 WeakPolarHBondContact O-CB 3.37Å; I257-N261 PolarHBondContact O-N 2.82Å |
| 258 | L | 81.3 | Confident | 79.5 | Confident | 31 Ų | 31 | 77.1 Ų | 77.1 | 16% | 0.162 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67.5 | -39.5 | -179.8 | -68.8 | 174.8 | 0 | 0 | 0 | 112.5 | F153 L154 Y157 T254 F255 I256 N261 F262 | F153-L258 HydrophobicContact CD1-CD1 4.4Å; F153-L258 HydrophobicContact CD1-CD2 3.83Å; F153-L258 HydrophobicContact CE1-CD1 3.91Å; F153-L258 HydrophobicContact CE1-CD2 3.45Å; F153-L258 VanDerWaalsContact CE1-CD2 3.45Å; F153-L258 HydrophobicContact CE1-CG 4.33Å; L154-L258 HydrophobicContact CD1-CB 3.75Å; L154-L258 HydrophobicContact CD1-CD1 4.14Å; Y157-L258 HydrophobicContact CD1-CD1 3.42Å; Y157-L258 VanDerWaalsContact CD1-CD1 3.42Å; Y157-L258 HydrophobicContact CD2-CD1 4.41Å; Y157-L258 HydrophobicContact CE1-CD1 3.76Å; Y157-L258 HydrophobicContact CG-CD1 3.8Å; T254-L258 WeakPolarHBondContact O-CB 3.41Å; T254-L258 VanDerWaalsContact O-CG 3.25Å; T254-L258 WeakPolarHBondContact O-CG 3.49Å; T254-L258 PolarHBondContact O-N 2.94Å; F255-L258 PolarHBondContact O-N 3.42Å; I256-L258 PolarHBondContact O-N 2.87Å; L258-N261 PolarHBondContact O-N 2.92Å; L258-F262 WeakPolarHBondContact O-CB 2.97Å; L258-F262 PolarHBondContact O-N 2.92Å |
| 259 | F | 73.3 | Confident | 78.3 | Confident | 71 Ų | 71 | 81.8 Ų | 81.8 | 31% | 0.311 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 173.4 | -96.7 | -78 | 0 | 0 | 0 | 112.2 | L154 M220 F255 I256 N261 F262 Y263 | L154-F259 HydrophobicContact CD1-CD2 4.24Å; L154-F259 HydrophobicContact CD1-CE2 4.26Å; L154-F259 HydrophobicContact CD2-CD1 4.28Å; L154-F259 HydrophobicContact CD2-CD2 3.95Å; L154-F259 HydrophobicContact CD2-CE1 3.93Å; L154-F259 HydrophobicContact CD2-CE2 3.57Å; L154-F259 HydrophobicContact CD2-CG 4.3Å; L154-F259 HydrophobicContact CD2-CZ 3.56Å; L154-F259 HydrophobicContact CG-CE2 4.46Å; M220-F259 HydrophobicContact CE-CE1 4.4Å; M220-F259 HydrophobicContact CE-CZ 3.87Å; M220-F259 HydrophobicContact SD-CE1 4.39Å; M220-F259 HydrophobicContact SD-CZ 4.3Å; F255-F259 HydrophobicContact CD1-CD2 4.02Å; F255-F259 AromaticContact CD1-CE2 3.81Å; F255-F259 HydrophobicContact CD1-CE2 3.81Å; F255-F259 AromaticContact CE1-CE2 3.97Å; F255-F259 HydrophobicContact CE1-CE2 3.97Å; F255-F259 WeakPolarHBondContact O-CB 3.35Å; F255-F259 WeakPolarHBondContact O-CD2 3.23Å; F255-F259 PolarHBondContact O-N 3.2Å; I256-F259 PolarHBondContact O-N 2.97Å; F259-N261 VanDerWaalsContact C-N 3.33Å; F259-N261 PolarHBondContact O-N 3.11Å; F259-F262 PolarHBondContact O-N 3.47Å; F259-Y263 WeakPolarHBondContact O-CB 3.38Å; F259-Y263 PolarHBondContact O-N 3.02Å |
| 260 | A | 78.3 | Confident | 76.7 | Confident | 58 Ų | 58 | 88.6 Ų | 88.6 | 48% | 0.479 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.7 | -41.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I256 I257 Y263 Y264 | I256-A260 VanDerWaalsContact O-CB 3.27Å; I256-A260 WeakPolarHBondContact O-CB 3.48Å; I256-A260 PolarHBondContact O-N 3.46Å; I257-A260 PolarHBondContact O-N 2.88Å; A260-Y263 PolarHBondContact O-N 3.27Å; A260-Y264 WeakPolarHBondContact O-CB 3.07Å; A260-Y264 PolarHBondContact O-N 3.4Å |
| 261 | N | 81 | Confident | 74.9 | Confident | 79 Ų | 79 | 92.8 Ų | 92.8 | 42% | 0.422 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.5 | -47.6 | 175.5 | -170.4 | 8.3 | 0 | 0 | 0 | 111.6 | I257 L258 F259 Y263 Y264 H265 | I257-N261 WeakPolarHBondContact O-CB 3.37Å; I257-N261 PolarHBondContact O-N 2.82Å; L258-N261 PolarHBondContact O-N 2.92Å; F259-N261 VanDerWaalsContact C-N 3.33Å; F259-N261 PolarHBondContact O-N 3.11Å; N261-Y263 PolarHBondContact O-N 3.32Å; N261-Y264 PolarHBondContact O-N 3.35Å; N261-H265 PolarHBondContact O-CD2 2.85Å; N261-H265 PolarHBondContact O-N 3.35Å; N261-H265 PolarHBondContact OD1-CD2 3.37Å; N261-H265 PolarHBondContact OD1-NE2 3.37Å |
| 262 | F | 76.4 | Confident | 72.8 | Confident | 120 Ų | 120 | 96.1 Ų | 96.1 | 53% | 0.526 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -57 | -48.5 | 173.4 | 171.8 | -97.7 | 0 | 0 | 0 | 111.8 | L258 F259 Y264 H265 A266 | L258-F262 WeakPolarHBondContact O-CB 2.97Å; L258-F262 PolarHBondContact O-N 2.92Å; F259-F262 PolarHBondContact O-N 3.47Å; F262-Y264 PolarHBondContact O-N 2.03Å; F262-H265 PolarHBondContact O-N 2.75Å; F262-A266 HydrophobicContact CE1-CB 4.44Å; F262-A266 HydrophobicContact CZ-CB 4.35Å; F262-A266 VanDerWaalsContact O-CB 3.23Å; F262-A266 WeakPolarHBondContact O-CB 3.3Å; F262-A266 PolarHBondContact O-N 3.46Å |
| 263 | Y | 74.9 | Confident | 70.9 | Confident | 135 Ų | 135 | 101.2 Ų | 101.2 | 53% | 0.529 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 179.6 | -177.9 | -91.7 | 0 | 0 | 0 | 112 | F259 A260 N261 H265 A266 Y267 R268 | F259-Y263 WeakPolarHBondContact O-CB 3.38Å; F259-Y263 PolarHBondContact O-N 3.02Å; A260-Y263 PolarHBondContact O-N 3.27Å; N261-Y263 PolarHBondContact O-N 3.32Å; Y263-H265 PolarHBondContact O-N 3.18Å; Y263-A266 PolarHBondContact O-N 3.39Å; Y263-Y267 AromaticContact CD2-CD2 3.41Å; Y263-Y267 HydrophobicContact CD2-CD2 3.41Å; Y263-Y267 VanDerWaalsContact CD2-CD2 3.41Å; Y263-Y267 AromaticContact CD2-CE2 3.84Å; Y263-Y267 HydrophobicContact CD2-CE2 3.84Å; Y263-Y267 HydrophobicContact CD2-CG 4.32Å; Y263-Y267 AromaticContact CE2-CD2 3.59Å; Y263-Y267 HydrophobicContact CE2-CD2 3.59Å; Y263-Y267 HydrophobicContact CE2-CE2 4.11Å; Y263-Y267 HydrophobicContact CE2-CG 4.11Å; Y263-Y267 AromaticContact CG-CD2 3.99Å; Y263-Y267 HydrophobicContact CG-CD2 3.99Å; Y263-Y267 WeakPolarHBondContact O-CB 3.42Å; Y263-Y267 WeakPolarHBondContact O-CD2 3.37Å; Y263-Y267 PolarHBondContact O-N 3.49Å; Y263-R268 HydrophobicContact CE1-CG 4.41Å |
| 264 | Y | 78.6 | Confident | 68.8 | Low | 117 Ų | 117 | 106 Ų | 106 | 46% | 0.459 | 52% | 0.524 | S | S | . | . | I | π-helix | trans | -60.4 | -46.7 | 178.2 | -178.4 | -94.7 | 0 | 0 | 0 | 111.6 | A260 N261 F262 R268 R269 | A260-Y264 WeakPolarHBondContact O-CB 3.07Å; A260-Y264 PolarHBondContact O-N 3.4Å; N261-Y264 PolarHBondContact O-N 3.35Å; F262-Y264 PolarHBondContact O-N 2.03Å; Y264-R268 HydrophobicContact CD2-CB 3.91Å; Y264-R268 HydrophobicContact CE2-CB 4.16Å; Y264-R268 HydrophobicContact CG-CB 4.49Å; Y264-R268 WeakPolarHBondContact O-CA 3.23Å; Y264-R268 PolarHBondContact O-N 2.97Å; Y264-R269 PolarHBondContact O-N 3.35Å; Y264-R269 VanDerWaalsContact O-N 3.17Å |
| 265 | H | 74.3 | Confident | 66.8 | Low | 98 Ų | 98 | 113.7 Ų | 113.7 | 45% | 0.454 | 55% | 0.553 | S | S | . | * | I | π-helix | trans | -70.3 | -34.6 | 178.6 | -79.2 | -55.1 | 0 | 0 | 0 | 113.9 | N261 F262 Y263 | N261-H265 PolarHBondContact O-CD2 2.85Å; N261-H265 PolarHBondContact O-N 3.35Å; N261-H265 PolarHBondContact OD1-CD2 3.37Å; N261-H265 PolarHBondContact OD1-NE2 3.37Å; F262-H265 PolarHBondContact O-N 2.75Å; Y263-H265 PolarHBondContact O-N 3.18Å |
| 266 | A | 73.2 | Confident | 64.9 | Low | 55 Ų | 55 | 117 Ų | 117 | 46% | 0.455 | 59% | 0.592 | S | S | . | * | I | π-helix | trans | -78.4 | -33.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | F262 Y263 | F262-A266 HydrophobicContact CE1-CB 4.44Å; F262-A266 HydrophobicContact CZ-CB 4.35Å; F262-A266 VanDerWaalsContact O-CB 3.23Å; F262-A266 WeakPolarHBondContact O-CB 3.3Å; F262-A266 PolarHBondContact O-N 3.46Å; Y263-A266 PolarHBondContact O-N 3.39Å |
| 267 | Y | 72.5 | Confident | 62.6 | Low | 163 Ų | 163 | 115.5 Ų | 115.5 | 64% | 0.639 | 60% | 0.602 | S | S | * | * | I | π-helix | trans | -123.1 | -27 | -168.4 | -61.7 | -76.6 | 0 | 0 | 0 | 115.5 | Y263 | Y263-Y267 AromaticContact CD2-CD2 3.41Å; Y263-Y267 HydrophobicContact CD2-CD2 3.41Å; Y263-Y267 VanDerWaalsContact CD2-CD2 3.41Å; Y263-Y267 AromaticContact CD2-CE2 3.84Å; Y263-Y267 HydrophobicContact CD2-CE2 3.84Å; Y263-Y267 HydrophobicContact CD2-CG 4.32Å; Y263-Y267 AromaticContact CE2-CD2 3.59Å; Y263-Y267 HydrophobicContact CE2-CD2 3.59Å; Y263-Y267 HydrophobicContact CE2-CE2 4.11Å; Y263-Y267 HydrophobicContact CE2-CG 4.11Å; Y263-Y267 AromaticContact CG-CD2 3.99Å; Y263-Y267 HydrophobicContact CG-CD2 3.99Å; Y263-Y267 WeakPolarHBondContact O-CB 3.42Å; Y263-Y267 WeakPolarHBondContact O-CD2 3.37Å; Y263-Y267 PolarHBondContact O-N 3.49Å |
| 268 | R | 71.3 | Confident | 60 | Low | 173 Ų | 173 | 120.1 Ų | 120.1 | 65% | 0.653 | 62% | 0.618 | S | S | * | * | I | π-helix | trans | -103.9 | -17.6 | -174.1 | -67.6 | -175 | 70.3 | 177.5 | 3 | 114.1 | Y263 Y264 K270 | Y263-R268 HydrophobicContact CE1-CG 4.41Å; Y264-R268 HydrophobicContact CD2-CB 3.91Å; Y264-R268 HydrophobicContact CE2-CB 4.16Å; Y264-R268 HydrophobicContact CG-CB 4.49Å; Y264-R268 WeakPolarHBondContact O-CA 3.23Å; Y264-R268 PolarHBondContact O-N 2.97Å; R268-K270 PolarHBondContact O-N 2.99Å; R268-K270 VanDerWaalsContact O-N 3.08Å |
| 269 | R | 58.9 | Low | 57.6 | Low | 166 Ų | 166 | 124.8 Ų | 124.8 | 63% | 0.626 | 65% | 0.651 | S | S | * | * | trans | -75.7 | 99 | 174.1 | -157.1 | 172.3 | 178.4 | 170.8 | 1.7 | 108.8 | Y264 | Y264-R269 PolarHBondContact O-N 3.35Å; Y264-R269 VanDerWaalsContact O-N 3.17Å | ||
| 270 | K | 48.7 | Very low | 55.8 | Low | 187 Ų | 187 | 128.1 Ų | 128.1 | 81% | 0.813 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 136.6 | 164.7 | -73.3 | -178.2 | 178.2 | -178.8 | 0 | 108 | R268 S272 | R268-K270 PolarHBondContact O-N 2.99Å; R268-K270 VanDerWaalsContact O-N 3.08Å; K270-S272 PolarHBondContact O-N 3.42Å |
| 271 | P | 48.2 | Very low | 53.5 | Low | 125 Ų | 125 | 129.9 Ų | 129.9 | 81% | 0.812 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 117.6 | 173.2 | 22.9 | -30.7 | 0 | 0 | 0 | 107.5 | S273 | P271-S273 PolarHBondContact O-N 3.22Å; P271-S273 VanDerWaalsContact O-N 3.11Å |
| 272 | S | 41.7 | Very low | 51.3 | Low | 90 Ų | 90 | 133.6 Ų | 133.6 | 63% | 0.629 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 119 | 176.7 | 53.2 | 0 | 0 | 0 | 0 | 107.6 | K270 H274 | K270-S272 PolarHBondContact O-N 3.42Å; S272-H274 PolarHBondContact O-N 3.17Å |
| 273 | S | 42.6 | Very low | 49 | Very low | 116 Ų | 116 | 131.9 Ų | 131.9 | 81% | 0.811 | 73% | 0.727 | S | S | * | * | trans | -61.4 | 88 | 166.6 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | P271 | P271-S273 PolarHBondContact O-N 3.22Å; P271-S273 VanDerWaalsContact O-N 3.11Å | ||
| 274 | H | 39.6 | Very low | 47 | Very low | 175 Ų | 175 | 131 Ų | 131 | 81% | 0.81 | 74% | 0.736 | S | S | * | * | trans | -104.9 | 112.6 | 159.3 | -95.1 | -14.2 | 0 | 0 | 0 | 108 | S272 | S272-H274 PolarHBondContact O-N 3.17Š| ||
| 275 | K | 42.3 | Very low | 44.7 | Very low | 205 Ų | 205 | 130 Ų | 130 | 89% | 0.891 | 75% | 0.747 | S | S | * | * | trans | -54.1 | 135.8 | 174.9 | -75.8 | 174.3 | 170.5 | 176.9 | 0 | 110.6 | ||||
| 276 | G | 40.4 | Very low | 42.6 | Very low | 86 Ų | 86 | 130.3 Ų | 130.3 | 89% | 0.887 | 77% | 0.766 | S | S | * | * | trans | 95.3 | 65.9 | 150.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 277 | G | 32.4 | Very low | 40.5 | Very low | 72 Ų | 72 | 133.7 Ų | 133.7 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | trans | -168.5 | 126.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 278 | K | 30.8 | Very low | 38.3 | Very low | 200 Ų | 200 | 131.5 Ų | 131.5 | 87% | 0.87 | 78% | 0.784 | S | S | * | * | trans | -48.9 | 139.4 | -170.4 | -65.7 | 175.4 | 179.1 | 177.1 | 0 | 112.6 | V280 | K278-V280 PolarHBondContact O-N 2.94Š| ||
| 279 | P | 30.4 | Very low | 36.3 | Very low | 130 Ų | 130 | 131.2 Ų | 131.2 | 84% | 0.844 | 80% | 0.795 | S | S | * | * | trans | -70.5 | 115.7 | -179.5 | 29.3 | -31.7 | 0 | 0 | 0 | 109.8 | ||||
| 280 | V | 35.1 | Very low | 34.6 | Very low | 140 Ų | 140 | 127 Ų | 127 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 118.7 | 157.6 | 178.7 | 0 | 0 | 0 | 0 | 106.1 | K278 N282 | K278-V280 PolarHBondContact O-N 2.94Å; V280-N282 PolarHBondContact O-N 3.44Å |
| 281 | A | 30 | Very low | 33.4 | Very low | 96 Ų | 96 | 126.7 Ų | 126.7 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 125.1 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 282 | N | 34.7 | Very low | 32.3 | Very low | 156 Ų | 156 | 126.2 Ų | 126.2 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 124.1 | 162.7 | -95.4 | -22.3 | 0 | 0 | 0 | 109.6 | V280 | V280-N282 PolarHBondContact O-N 3.44Š|
| 283 | G | 28.8 | Very low | 31.4 | Very low | 85 Ų | 85 | 128.8 Ų | 128.8 | 88% | 0.876 | 81% | 0.812 | S | S | * | * | trans | -94.7 | 86.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 284 | T | 31.7 | Very low | 30.5 | Very low | 115 Ų | 115 | 132.5 Ų | 132.5 | 71% | 0.706 | 82% | 0.818 | S | S | * | * | trans | -77.4 | 146.9 | 159.7 | -27.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 285 | S | 31.8 | Very low | 29.7 | Very low | 98 Ų | 98 | 133.4 Ų | 133.4 | 69% | 0.685 | 82% | 0.823 | S | S | * | * | 165.4 | 121.8 | 114.9 | -72.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 286 | A | 29.6 | Very low | 28.8 | Very low | 103 Ų | 103 | 132.9 Ų | 132.9 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | trans | -71.7 | 118.1 | 131.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 287 | V | 29.1 | Very low | 28 | Very low | 127 Ų | 127 | 135.3 Ų | 135.3 | 77% | 0.77 | 82% | 0.821 | S | S | * | * | trans | -151.6 | 141.3 | 145.7 | -176 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 288 | T | 27.2 | Very low | 27.6 | Very low | 116 Ų | 116 | 141.3 Ų | 141.3 | 71% | 0.712 | 83% | 0.83 | S | S | * | * | trans | -56.5 | 154.1 | 174.8 | 40 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 289 | N | 27.9 | Very low | 27.4 | Very low | 167 Ų | 167 | 140.8 Ų | 140.8 | 89% | 0.893 | 83% | 0.83 | S | S | * | * | trans | 53.5 | 126.8 | 152.9 | -72.1 | -6 | 0 | 0 | 0 | 121.2 | ||||
| 290 | G | 23.9 | Very low | 27.2 | Very low | 78 Ų | 78 | 142.6 Ų | 142.6 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | trans | 130.2 | 107.4 | 147.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 291 | H | 23.4 | Very low | 26.8 | Very low | 180 Ų | 180 | 139 Ų | 139 | 83% | 0.833 | 83% | 0.825 | S | S | * | * | trans | 44.4 | 103.7 | 147.3 | -133.8 | 60.4 | 0 | 0 | 0 | 119.1 | ||||
| 292 | S | 24.5 | Very low | 26.6 | Very low | 116 Ų | 116 | 144.3 Ų | 144.3 | 81% | 0.811 | 83% | 0.829 | S | S | * | * | trans | -86 | 112.8 | 167 | 54.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 293 | N | 22.8 | Very low | 26.3 | Very low | 144 Ų | 144 | 148.8 Ų | 148.8 | 77% | 0.77 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 142.1 | 152.7 | -100.6 | -10.6 | 0 | 0 | 0 | 109.2 | ||
| 294 | M | 23.8 | Very low | 26.3 | Very low | 193 Ų | 193 | 153.2 Ų | 153.2 | 95% | 0.951 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 138.3 | -172.1 | -67.4 | 165.3 | 173.1 | 0 | 0 | 112.8 | ||
| 295 | E | 22.9 | Very low | 26.1 | Very low | 195 Ų | 195 | 157.8 Ų | 157.8 | 91% | 0.911 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 122.3 | 162.5 | -86.2 | -179.7 | 156.8 | 0 | 0 | 109.7 | ||
| 296 | E | 22.8 | Very low | 26 | Very low | 193 Ų | 193 | 162.5 Ų | 162.5 | 90% | 0.902 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 146.1 | 162.4 | -98.5 | 176.6 | 151.2 | 0 | 0 | 110.8 | ||
| 297 | V | 25.3 | Very low | 25.9 | Very low | 138 Ų | 138 | 161.2 Ų | 161.2 | 84% | 0.836 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 117.5 | 178 | 174.4 | 0 | 0 | 0 | 0 | 109 | ||
| 298 | E | 24.1 | Very low | 25.8 | Very low | 197 Ų | 197 | 167 Ų | 167 | 92% | 0.921 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 117.6 | 165.7 | -100.1 | -169.4 | 160.2 | 0 | 0 | 110.9 | ||
| 299 | E | 25.2 | Very low | 26 | Very low | 189 Ų | 189 | 166.5 Ų | 166.5 | 88% | 0.883 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 136.8 | 172.5 | -163.9 | 177.4 | -171.6 | 0 | 0 | 110.2 | ||
| 300 | N | 26.8 | Very low | 26.2 | Very low | 169 Ų | 169 | 167.8 Ų | 167.8 | 90% | 0.904 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -74 | 134.2 | -171.4 | -164.5 | 5.9 | 0 | 0 | 0 | 112.2 | ||
| 301 | G | 26.4 | Very low | 26.6 | Very low | 65 Ų | 65 | 174.4 Ų | 174.4 | 67% | 0.67 | 86% | 0.861 | S | S | * | * | trans | 175.7 | 118.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 302 | K | 26.7 | Very low | 27.1 | Very low | 206 Ų | 206 | 177.5 Ų | 177.5 | 90% | 0.896 | 88% | 0.876 | S | S | * | * | trans | 85.3 | 103.3 | 155.4 | -63 | -179.8 | 180 | 173.5 | 0 | 118.8 | Q304 | K302-Q304 PolarHBondContact O-N 3.08Š| ||
| 303 | R | 28.7 | Very low | 27.3 | Very low | 251 Ų | 251 | 180.6 Ų | 180.6 | 95% | 0.947 | 88% | 0.88 | S | S | * | * | trans | -44.9 | 125.3 | 147.9 | -82.3 | 174.4 | 161.9 | 175.2 | -5 | 111.2 | ||||
| 304 | Q | 26.8 | Very low | 27.5 | Very low | 178 Ų | 178 | 182.5 Ų | 182.5 | 83% | 0.832 | 89% | 0.886 | S | S | * | * | trans | -129.7 | 124.2 | 153.6 | -104.8 | -172.9 | 3.2 | 0 | 0 | 110.8 | K302 | K302-Q304 PolarHBondContact O-N 3.08Š| ||
| 305 | K | 29.5 | Very low | 27.7 | Very low | 210 Ų | 210 | 181.9 Ų | 181.9 | 91% | 0.913 | 88% | 0.882 | S | S | * | * | trans | -66.2 | 125.6 | 161.6 | -93.5 | 175.3 | 166.1 | 177.5 | 0 | 109.5 | ||||
| 306 | K | 28.3 | Very low | 28 | Very low | 198 Ų | 198 | 181.2 Ų | 181.2 | 86% | 0.861 | 88% | 0.88 | S | S | * | * | trans | -149.1 | 132.2 | 144.2 | -74.1 | -171.3 | 179.9 | 175.9 | 0 | 105 | ||||
| 307 | G | 27.9 | Very low | 28.3 | Very low | 76 Ų | 76 | 180.4 Ų | 180.4 | 78% | 0.784 | 88% | 0.879 | S | S | * | * | cis | 113.9 | 84.5 | 38.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 308 | R | 28 | Very low | 28.5 | Very low | 249 Ų | 249 | 183.3 Ų | 183.3 | 94% | 0.94 | 88% | 0.882 | S | S | * | * | trans | 22.2 | 123.5 | 150.9 | -169.5 | 178.9 | -176.7 | 178.1 | 0.7 | 119 | ||||
| 309 | A | 29.8 | Very low | 28.9 | Very low | 105 Ų | 105 | 182.3 Ų | 182.3 | 87% | 0.868 | 88% | 0.879 | S | S | * | * | trans | -158.4 | 145.1 | 130.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 310 | K | 33.7 | Very low | 29.1 | Very low | 193 Ų | 193 | 181.8 Ų | 181.8 | 84% | 0.839 | 88% | 0.879 | S | S | * | * | trans | -117.9 | 160.9 | -173.6 | -168.9 | -172.8 | -173.3 | -174.1 | 0 | 106.9 | ||||
| 311 | R | 31.3 | Very low | 29.3 | Very low | 217 Ų | 217 | 182.8 Ų | 182.8 | 82% | 0.819 | 88% | 0.876 | S | S | * | * | trans | 98.5 | 133.7 | 174.2 | -63.9 | -179.9 | 173.1 | 175.2 | -4.4 | 112.5 | ||||
| 312 | E | 35 | Very low | 29.6 | Very low | 246 Ų | 246 | 193.5 Ų | 193.5 | 100% | 1.15 | 90% | 0.895 | S | S | * | * | cis | -150.6 | 0 | 8 | -118.6 | 156.8 | -148.1 | 0 | 0 | 108.2 |
Retrieved 312 of 312 residues in 646.1 ms
(Link to these results)