| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 32.1 | Very low | 32.8 | Very low | 242 Ų | 242 | 108.6 Ų | 108.6 | 100% | 1.192 | 63% | 0.628 | S | S | * | * | 0 | 66.1 | 0 | -173.7 | 166.4 | 166.3 | 0 | 0 | 107.5 | |||||
| 2 | K | 24.1 | Very low | 35.3 | Very low | 194 Ų | 194 | 100.6 Ų | 100.6 | 84% | 0.843 | 58% | 0.583 | S | S | * | * | 54 | 113.6 | 102.6 | -82.1 | -173.9 | 178 | 177.8 | 0 | 113.7 | |||||
| 3 | L | 27.1 | Very low | 37.5 | Very low | 136 Ų | 136 | 95.9 Ų | 95.9 | 71% | 0.712 | 55% | 0.553 | S | S | * | * | trans | 84.4 | 85.5 | 157 | -69.9 | 144.6 | 0 | 0 | 0 | 118.6 | ||||
| 4 | L | 27.9 | Very low | 39.5 | Very low | 148 Ų | 148 | 89.9 Ų | 89.9 | 78% | 0.775 | 52% | 0.519 | S | S | * | . | trans | -132.8 | 67.5 | 143.1 | -82.8 | 174.7 | 0 | 0 | 0 | 110.9 | ||||
| 5 | V | 26.6 | Very low | 41.1 | Very low | 113 Ų | 113 | 86.9 Ų | 86.9 | 69% | 0.685 | 50% | 0.499 | S | S | * | . | trans | -74.9 | 118.8 | 165.2 | 172.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 6 | G | 26.4 | Very low | 42.8 | Very low | 67 Ų | 67 | 85.2 Ų | 85.2 | 69% | 0.691 | 49% | 0.487 | S | S | * | . | trans | 79.7 | 74.6 | 152.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | S8 | G6-S8 PolarHBondContact O-N 3.31Š| ||
| 7 | V | 28.4 | Very low | 44.5 | Very low | 111 Ų | 111 | 83.2 Ų | 83.2 | 67% | 0.673 | 47% | 0.474 | S | S | * | . | trans | -90.9 | 80.9 | 162.2 | -173.9 | 0 | 0 | 0 | 0 | 109.2 | S9 | V7-S9 PolarHBondContact O-N 2.96Š| ||
| 8 | S | 29.4 | Very low | 46.4 | Very low | 75 Ų | 75 | 82.2 Ų | 82.2 | 52% | 0.524 | 47% | 0.473 | S | S | . | . | trans | -76.8 | 111 | 164.2 | -162 | 0 | 0 | 0 | 0 | 107.8 | G6 A10 | G6-S8 PolarHBondContact O-N 3.31Å; S8-A10 PolarHBondContact O-N 3.49Å | ||
| 9 | S | 39.9 | Very low | 48.1 | Very low | 74 Ų | 74 | 83.9 Ų | 83.9 | 52% | 0.517 | 48% | 0.481 | S | S | . | . | trans | -62.4 | 114.8 | -179.9 | -167.1 | 0 | 0 | 0 | 0 | 109.9 | V7 G11 | V7-S9 PolarHBondContact O-N 2.96Å; S9-G11 PolarHBondContact O-N 3.49Å | ||
| 10 | A | 45.9 | Very low | 49.8 | Very low | 33 Ų | 33 | 88 Ų | 88 | 27% | 0.273 | 49% | 0.493 | S | S | . | . | trans | -69.5 | 111.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | S8 | S8-A10 PolarHBondContact O-N 3.49Š| ||
| 11 | G | 53.1 | Low | 51.5 | Low | 2 Ų | 2 | 90.3 Ų | 90.3 | 2% | 0.021 | 50% | 0.498 | C | S | . | . | trans | -59.3 | 153.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S9 E15 S519 | S9-G11 PolarHBondContact O-N 3.49Å; G11-E15 WeakPolarHBondContact CA-OE2 3.35Å; G11-S519 WeakPolarHBondContact O-CA 3.35Å; G11-S519 WeakPolarHBondContact O-CB 3.14Å; G11-S519 PolarHBondContact O-N 3.11Å | ||
| 12 | S | 62.2 | Low | 53.7 | Low | 12 Ų | 12 | 79.6 Ų | 79.6 | 8% | 0.084 | 45% | 0.445 | C | S | . | . | B | Isolated β-bridge | trans | -70.3 | 166.1 | 171.7 | 107.6 | 0 | 0 | 0 | 0 | 111.4 | V14 E15 N16 R451 M515 A517 | S12-V14 PolarHBondContact O-N 2.62Å; S12-V14 PolarHBondContact OG-N 3.02Å; S12-E15 WeakPolarHBondContact O-CB 3.49Å; S12-E15 PolarHBondContact O-N 3.36Å; S12-N16 PolarHBondContact O-ND2 3.15Å; S12-R451 VanDerWaalsContact CB-CZ 3.5Å; S12-R451 PolarHBondContact OG-NE 2.82Å; S12-R451 PolarHBondContact OG-NH2 2.69Å; S12-M515 PolarHBondContact OG-O 3.5Å; S12-A517 WeakPolarHBondContact CA-O 3.43Å; S12-A517 WeakPolarHBondContact CB-O 3.47Å |
| 13 | I | 65 | Low | 56.4 | Low | 40 Ų | 40 | 75.6 Ų | 75.6 | 21% | 0.205 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -54.1 | -35.2 | 176.9 | -70.6 | -179.2 | 0 | 0 | 0 | 112.4 | E15 N16 L17 W271 A517 | I13-E15 VanDerWaalsContact C-N 3.29Å; I13-E15 PolarHBondContact O-N 3.1Å; I13-N16 PolarHBondContact O-N 3.38Å; I13-L17 HydrophobicContact CG2-CD1 3.43Å; I13-L17 VanDerWaalsContact CG2-CD1 3.43Å; I13-L17 HydrophobicContact CG2-CG 3.98Å; I13-L17 PolarHBondContact O-N 3.41Å; I13-W271 HydrophobicContact CD1-CH2 3.72Å; I13-W271 HydrophobicContact CD1-CZ2 4.01Å; I13-A517 HydrophobicContact CD1-CB 3.9Å; I13-A517 HydrophobicContact CG1-CB 4.43Å; I13-A517 PolarHBondContact N-O 3.14Å |
| 14 | V | 65 | Low | 59.3 | Low | 12 Ų | 12 | 74.3 Ų | 74.3 | 7% | 0.073 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62.5 | -32.5 | 176.7 | 174.9 | 0 | 0 | 0 | 0 | 113.4 | S12 N16 Y450 R451 M515 | S12-V14 PolarHBondContact O-N 2.62Å; S12-V14 PolarHBondContact OG-N 3.02Å; V14-N16 PolarHBondContact O-N 3.39Å; V14-Y450 HydrophobicContact CG1-CD1 4.19Å; V14-Y450 HydrophobicContact CG1-CE1 4.31Å; V14-R451 HydrophobicContact CB-CG 4.23Å; V14-R451 HydrophobicContact CG1-CG 3.7Å; V14-M515 HydrophobicContact CB-CE 4.43Å; V14-M515 HydrophobicContact CG1-CE 4.17Å; V14-M515 HydrophobicContact CG2-CB 3.33Å; V14-M515 HydrophobicContact CG2-CE 3.32Å; V14-M515 HydrophobicContact CG2-CG 3.59Å; V14-M515 VanDerWaalsContact CG2-O 3.26Å; V14-M515 WeakPolarHBondContact CG2-O 3.45Å; V14-M515 HydrophobicContact CG2-SD 4.24Å; V14-M515 PolarHBondContact N-O 3.36Å |
| 15 | E | 63.5 | Low | 62 | Low | 45 Ų | 45 | 70 Ų | 70 | 21% | 0.21 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -68.5 | -24.1 | 177.4 | -98.4 | 166.1 | -116.1 | 0 | 0 | 111.7 | G11 S12 I13 A447 R451 Y523 | G11-E15 WeakPolarHBondContact CA-OE2 3.35Å; S12-E15 WeakPolarHBondContact O-CB 3.49Å; S12-E15 PolarHBondContact O-N 3.36Å; I13-E15 VanDerWaalsContact C-N 3.29Å; I13-E15 PolarHBondContact O-N 3.1Å; E15-A447 HydrophobicContact CG-CB 3.41Å; E15-A447 VanDerWaalsContact CG-CB 3.41Å; E15-R451 IonicContact OE1-CZ 3.07Å; E15-R451 IonicContact OE1-NH1 2.74Å; E15-R451 PolarHBondContact OE1-NH1 2.78Å; E15-R451 IonicContact OE1-NH2 2.65Å; E15-R451 PolarHBondContact OE1-NH2 3.14Å; E15-Y523 PolarHBondContact OE2-OH 3.34Å |
| 16 | N | 68.7 | Low | 64.6 | Low | 59 Ų | 59 | 66.8 Ų | 66.8 | 32% | 0.316 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -109.6 | -5.1 | -170.3 | -74.2 | -65.8 | 0 | 0 | 0 | 113.7 | S12 I13 V14 S519 K521 | S12-N16 PolarHBondContact O-ND2 3.15Å; I13-N16 PolarHBondContact O-N 3.38Å; V14-N16 PolarHBondContact O-N 3.39Å; N16-S519 VanDerWaalsContact ND2-CB 3.32Å; N16-S519 WeakPolarHBondContact ND2-CB 3.4Å; N16-S519 PolarHBondContact ND2-OG 3.31Å; N16-K521 HydrophobicContact CB-CD 4.27Å |
| 17 | L | 71.5 | Confident | 67.5 | Low | 51 Ų | 51 | 67.4 Ų | 67.4 | 27% | 0.267 | 37% | 0.368 | S | S | . | . | trans | -82.5 | 126.5 | 178.3 | -91.9 | 160.1 | 0 | 0 | 0 | 109.9 | I13 K21 | I13-L17 HydrophobicContact CG2-CD1 3.43Å; I13-L17 VanDerWaalsContact CG2-CD1 3.43Å; I13-L17 HydrophobicContact CG2-CG 3.98Å; I13-L17 PolarHBondContact O-N 3.41Å; L17-K21 HydrophobicContact CD2-CB 3.4Å; L17-K21 HydrophobicContact CD2-CD 3.95Å; L17-K21 HydrophobicContact CD2-CG 4.32Å | ||
| 18 | S | 78.8 | Confident | 70.5 | Confident | 66 Ų | 66 | 65.5 Ų | 65.5 | 46% | 0.462 | 36% | 0.358 | S | S | . | . | trans | -64.2 | 144.4 | 167.5 | 173.7 | 0 | 0 | 0 | 0 | 110.1 | K20 K21 M22 | S18-K20 PolarHBondContact O-N 2.91Å; S18-K20 PolarHBondContact OG-N 3.18Å; S18-K21 PolarHBondContact O-N 3.48Å; S18-M22 PolarHBondContact O-N 3.41Å; S18-M22 VanDerWaalsContact O-N 3.1Å | ||
| 19 | N | 77.6 | Confident | 73.2 | Confident | 114 Ų | 114 | 63.4 Ų | 63.4 | 61% | 0.61 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -47 | -36.7 | 173.8 | -68.1 | -7 | 0 | 0 | 0 | 112.7 | M22 M23 | N19-M22 PolarHBondContact O-N 2.97Å; N19-M23 WeakPolarHBondContact O-CB 3.47Å; N19-M23 WeakPolarHBondContact O-CG 3.16Å; N19-M23 PolarHBondContact O-N 3.04Å |
| 20 | K | 83.4 | Confident | 75.5 | Confident | 166 Ų | 166 | 62.2 Ų | 62.2 | 72% | 0.722 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -61.4 | -47.8 | 176.4 | -68.8 | -174.5 | 178 | -176.7 | 0 | 112.5 | S18 M22 M23 I24 | S18-K20 PolarHBondContact O-N 2.91Å; S18-K20 PolarHBondContact OG-N 3.18Å; K20-M22 VanDerWaalsContact C-N 3.31Å; K20-M22 PolarHBondContact O-N 3.04Å; K20-M23 PolarHBondContact O-N 3.13Å; K20-I24 VanDerWaalsContact O-CG1 3.28Å; K20-I24 WeakPolarHBondContact O-CG1 3.43Å; K20-I24 PolarHBondContact O-N 2.72Å |
| 21 | K | 84.4 | Confident | 77.8 | Confident | 137 Ų | 137 | 65.8 Ų | 65.8 | 60% | 0.596 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -66.5 | -37.5 | -179.4 | -67.6 | -172.1 | 175.5 | -171.2 | 0 | 111.5 | L17 S18 I24 L25 | L17-K21 HydrophobicContact CD2-CB 3.4Å; L17-K21 HydrophobicContact CD2-CD 3.95Å; L17-K21 HydrophobicContact CD2-CG 4.32Å; S18-K21 PolarHBondContact O-N 3.48Å; K21-I24 PolarHBondContact O-N 3Å; K21-L25 PolarHBondContact O-N 2.82Å |
| 22 | M | 78.6 | Confident | 79.7 | Confident | 17 Ų | 17 | 69.2 Ų | 69.2 | 8% | 0.084 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -68 | -41.9 | 176.9 | -179.1 | -168.2 | 75.2 | 0 | 0 | 111.9 | S18 N19 K20 I24 L25 F26 Y450 | S18-M22 PolarHBondContact O-N 3.41Å; S18-M22 VanDerWaalsContact O-N 3.1Å; N19-M22 PolarHBondContact O-N 2.97Å; K20-M22 VanDerWaalsContact C-N 3.31Å; K20-M22 PolarHBondContact O-N 3.04Å; M22-I24 PolarHBondContact O-N 3.26Å; M22-L25 WeakPolarHBondContact O-CB 3.36Å; M22-L25 PolarHBondContact O-N 3.16Å; M22-F26 HydrophobicContact CE-CE2 3.98Å; M22-F26 HydrophobicContact CG-CD2 4.03Å; M22-F26 HydrophobicContact CG-CE2 3.27Å; M22-F26 HydrophobicContact CG-CZ 3.56Å; M22-F26 VanDerWaalsContact O-CD2 3.26Å; M22-F26 WeakPolarHBondContact O-CD2 2.84Å; M22-F26 WeakPolarHBondContact O-CG 3.44Å; M22-F26 PolarHBondContact O-N 3.42Å; M22-F26 HydrophobicContact SD-CE2 3.81Å; M22-F26 HydrophobicContact SD-CZ 4.16Å; M22-Y450 WeakPolarHBondContact CE-OH 3.45Å; M22-Y450 HydrophobicContact SD-CE1 3.87Å; M22-Y450 PolarHBondContact SD-OH 2.84Å |
| 23 | M | 82.1 | Confident | 81.1 | Confident | 109 Ų | 109 | 69.7 Ų | 69.7 | 54% | 0.537 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 172.9 | -75.1 | -57.8 | -60.7 | 0 | 0 | 112.2 | N19 K20 L25 F26 V27 | N19-M23 WeakPolarHBondContact O-CB 3.47Å; N19-M23 WeakPolarHBondContact O-CG 3.16Å; N19-M23 PolarHBondContact O-N 3.04Å; K20-M23 PolarHBondContact O-N 3.13Å; M23-L25 VanDerWaalsContact C-N 3.32Å; M23-L25 PolarHBondContact O-N 3.31Å; M23-F26 PolarHBondContact O-N 3.03Å; M23-V27 WeakPolarHBondContact O-CG2 3.47Å; M23-V27 PolarHBondContact O-N 3.4Å |
| 24 | I | 86.6 | Confident | 82.4 | Confident | 109 Ų | 109 | 72.2 Ų | 72.2 | 56% | 0.559 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -58.9 | -46.4 | 174.6 | -68.1 | 163.6 | 0 | 0 | 0 | 110.3 | K20 K21 M22 F26 V27 C28 | K20-I24 VanDerWaalsContact O-CG1 3.28Å; K20-I24 WeakPolarHBondContact O-CG1 3.43Å; K20-I24 PolarHBondContact O-N 2.72Å; K21-I24 PolarHBondContact O-N 3Å; M22-I24 PolarHBondContact O-N 3.26Å; I24-F26 VanDerWaalsContact C-N 3.34Å; I24-F26 PolarHBondContact O-N 3.16Å; I24-V27 PolarHBondContact O-N 3.3Å; I24-C28 PolarHBondContact O-N 2.79Å; I24-C28 PolarHBondContact O-SG 3.15Å |
| 25 | L | 84.9 | Confident | 83.8 | Confident | 58 Ų | 58 | 73.5 Ų | 73.5 | 30% | 0.304 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -56.5 | -47.3 | 176.3 | -178.2 | 68.2 | 0 | 0 | 0 | 111.2 | K21 M22 M23 V27 C28 L29 | K21-L25 PolarHBondContact O-N 2.82Å; M22-L25 WeakPolarHBondContact O-CB 3.36Å; M22-L25 PolarHBondContact O-N 3.16Å; M23-L25 VanDerWaalsContact C-N 3.32Å; M23-L25 PolarHBondContact O-N 3.31Å; L25-V27 PolarHBondContact O-N 2.93Å; L25-C28 PolarHBondContact O-N 2.97Å; L25-L29 HydrophobicContact CD1-CG 4.42Å; L25-L29 HydrophobicContact CG-CD1 4.23Å; L25-L29 HydrophobicContact CG-CG 4.43Å; L25-L29 VanDerWaalsContact O-CG 3.31Å; L25-L29 WeakPolarHBondContact O-CG 3.12Å; L25-L29 PolarHBondContact O-N 2.62Å |
| 26 | F | 81.8 | Confident | 85.2 | Confident | 46 Ų | 46 | 72 Ų | 72 | 20% | 0.202 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.5 | -39.1 | 179.4 | -64.4 | -39.7 | 0 | 0 | 0 | 113.7 | M22 M23 I24 C28 L29 A30 F454 M515 | M22-F26 HydrophobicContact CE-CE2 3.98Å; M22-F26 HydrophobicContact CG-CD2 4.03Å; M22-F26 HydrophobicContact CG-CE2 3.27Å; M22-F26 HydrophobicContact CG-CZ 3.56Å; M22-F26 VanDerWaalsContact O-CD2 3.26Å; M22-F26 WeakPolarHBondContact O-CD2 2.84Å; M22-F26 WeakPolarHBondContact O-CG 3.44Å; M22-F26 PolarHBondContact O-N 3.42Å; M22-F26 HydrophobicContact SD-CE2 3.81Å; M22-F26 HydrophobicContact SD-CZ 4.16Å; M23-F26 PolarHBondContact O-N 3.03Å; I24-F26 VanDerWaalsContact C-N 3.34Å; I24-F26 PolarHBondContact O-N 3.16Å; F26-C28 VanDerWaalsContact C-N 3.34Å; F26-L29 PolarHBondContact O-N 2.78Å; F26-A30 VanDerWaalsContact O-CB 3.29Å; F26-A30 WeakPolarHBondContact O-CB 3.44Å; F26-A30 PolarHBondContact O-N 2.98Å; F26-F454 HydrophobicContact CD1-CE2 4.33Å; F26-F454 HydrophobicContact CD1-CZ 4.27Å; F26-F454 HydrophobicContact CE1-CE1 4.21Å; F26-F454 AromaticContact CE1-CE2 3.36Å; F26-F454 HydrophobicContact CE1-CE2 3.36Å; F26-F454 AromaticContact CE1-CZ 3.16Å; F26-F454 HydrophobicContact CE1-CZ 3.16Å; F26-F454 HydrophobicContact CE2-CD2 4.16Å; F26-F454 AromaticContact CE2-CE2 3.56Å; F26-F454 HydrophobicContact CE2-CE2 3.56Å; F26-F454 HydrophobicContact CE2-CZ 4.22Å; F26-F454 AromaticContact CZ-CD2 3.71Å; F26-F454 HydrophobicContact CZ-CD2 3.71Å; F26-F454 HydrophobicContact CZ-CE1 4.11Å; F26-F454 AromaticContact CZ-CE2 2.9Å; F26-F454 HydrophobicContact CZ-CE2 2.9Å; F26-F454 AromaticContact CZ-CZ 3.16Å; F26-F454 HydrophobicContact CZ-CZ 3.16Å; F26-M515 HydrophobicContact CZ-CE 4.39Å |
| 27 | V | 87.7 | Confident | 86.3 | Confident | 80 Ų | 80 | 71.9 Ų | 71.9 | 49% | 0.485 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 174.3 | 173 | 0 | 0 | 0 | 0 | 110.2 | M23 I24 L25 L29 A30 L31 | M23-V27 WeakPolarHBondContact O-CG2 3.47Å; M23-V27 PolarHBondContact O-N 3.4Å; I24-V27 PolarHBondContact O-N 3.3Å; L25-V27 PolarHBondContact O-N 2.93Å; V27-L29 PolarHBondContact O-N 3.3Å; V27-A30 PolarHBondContact O-N 2.89Å; V27-L31 HydrophobicContact CG1-CD1 4.14Å; V27-L31 HydrophobicContact CG1-CG 4.47Å; V27-L31 VanDerWaalsContact O-CG 3.32Å; V27-L31 WeakPolarHBondContact O-CG 3.48Å; V27-L31 PolarHBondContact O-N 3.21Å |
| 28 | C | 89.9 | Confident | 87.3 | Confident | 71 Ų | 71 | 73.5 Ų | 73.5 | 48% | 0.48 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.2 | -44.5 | 175.6 | -68.1 | 0 | 0 | 0 | 0 | 112.3 | I24 L25 F26 L31 L32 | I24-C28 PolarHBondContact O-N 2.79Å; I24-C28 PolarHBondContact O-SG 3.15Å; L25-C28 PolarHBondContact O-N 2.97Å; F26-C28 VanDerWaalsContact C-N 3.34Å; C28-L31 PolarHBondContact O-N 3.27Å; C28-L32 WeakPolarHBondContact O-CB 3.43Å; C28-L32 PolarHBondContact O-N 2.91Å |
| 29 | L | 87.8 | Confident | 87.9 | Confident | 30 Ų | 30 | 73.1 Ų | 73.1 | 16% | 0.157 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.6 | -37.5 | 177.4 | -68.2 | -176.6 | 0 | 0 | 0 | 112 | L25 F26 V27 L32 Q33 V507 C511 | L25-L29 HydrophobicContact CD1-CG 4.42Å; L25-L29 HydrophobicContact CG-CD1 4.23Å; L25-L29 HydrophobicContact CG-CG 4.43Å; L25-L29 VanDerWaalsContact O-CG 3.31Å; L25-L29 WeakPolarHBondContact O-CG 3.12Å; L25-L29 PolarHBondContact O-N 2.62Å; F26-L29 PolarHBondContact O-N 2.78Å; V27-L29 PolarHBondContact O-N 3.3Å; L29-L32 PolarHBondContact O-N 3.45Å; L29-Q33 WeakPolarHBondContact O-CB 3.23Å; L29-Q33 PolarHBondContact O-N 3.37Å; L29-V507 HydrophobicContact CB-CG1 3.98Å; L29-V507 HydrophobicContact CD1-CG1 4.13Å; L29-V507 HydrophobicContact CD2-CG1 3.83Å; L29-V507 HydrophobicContact CG-CG1 4.17Å; L29-C511 HydrophobicContact CD1-CB 3.98Å |
| 30 | A | 88 | Confident | 88.4 | Confident | 50 Ų | 50 | 67.7 Ų | 67.7 | 41% | 0.413 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.6 | -42.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F26 V27 L32 Q33 I34 | F26-A30 VanDerWaalsContact O-CB 3.29Å; F26-A30 WeakPolarHBondContact O-CB 3.44Å; F26-A30 PolarHBondContact O-N 2.98Å; V27-A30 PolarHBondContact O-N 2.89Å; A30-L32 VanDerWaalsContact C-N 3.34Å; A30-Q33 WeakPolarHBondContact O-CB 3.42Å; A30-Q33 PolarHBondContact O-N 3.34Å; A30-I34 VanDerWaalsContact O-CG1 3.29Å; A30-I34 WeakPolarHBondContact O-CG1 3.22Å; A30-I34 PolarHBondContact O-N 3.5Å |
| 31 | L | 92.9 | Very high | 88.5 | Confident | 108 Ų | 108 | 59.9 Ų | 59.9 | 57% | 0.565 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -63.1 | -41.3 | 174.4 | -70.7 | 173.8 | 0 | 0 | 0 | 111.7 | V27 C28 Q33 I34 A35 | V27-L31 HydrophobicContact CG1-CD1 4.14Å; V27-L31 HydrophobicContact CG1-CG 4.47Å; V27-L31 VanDerWaalsContact O-CG 3.32Å; V27-L31 WeakPolarHBondContact O-CG 3.48Å; V27-L31 PolarHBondContact O-N 3.21Å; C28-L31 PolarHBondContact O-N 3.27Å; L31-Q33 VanDerWaalsContact C-N 3.33Å; L31-I34 PolarHBondContact O-N 2.9Å; L31-A35 PolarHBondContact O-N 3.42Å |
| 32 | L | 92.6 | Very high | 88.6 | Confident | 74 Ų | 74 | 58.6 Ų | 58.6 | 39% | 0.387 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.2 | -40.8 | 174.6 | -178 | 60.3 | 0 | 0 | 0 | 111.4 | C28 L29 A30 A35 F36 V507 | C28-L32 WeakPolarHBondContact O-CB 3.43Å; C28-L32 PolarHBondContact O-N 2.91Å; L29-L32 PolarHBondContact O-N 3.45Å; A30-L32 VanDerWaalsContact C-N 3.34Å; L32-A35 WeakPolarHBondContact O-CB 3.33Å; L32-A35 PolarHBondContact O-N 2.82Å; L32-F36 HydrophobicContact CD1-CE1 4.5Å; L32-F36 HydrophobicContact CD1-CE2 3.96Å; L32-F36 HydrophobicContact CD1-CZ 3.82Å; L32-F36 HydrophobicContact CD2-CE2 4.2Å; L32-F36 HydrophobicContact CD2-CZ 4.43Å; L32-F36 HydrophobicContact CG-CD2 4.36Å; L32-F36 HydrophobicContact CG-CE2 3.63Å; L32-F36 HydrophobicContact CG-CZ 3.98Å; L32-F36 VanDerWaalsContact O-CD2 3.27Å; L32-F36 WeakPolarHBondContact O-CD2 3.39Å; L32-F36 PolarHBondContact O-N 3.33Å; L32-F36 VanDerWaalsContact O-N 3.1Å; L32-V507 HydrophobicContact CD2-CG2 3.78Å; L32-V507 HydrophobicContact CG-CG2 4.19Å |
| 33 | Q | 92.6 | Very high | 89.1 | Confident | 22 Ų | 22 | 65.1 Ų | 65.1 | 10% | 0.103 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 175.1 | -175.9 | 56.5 | 39.2 | 0 | 0 | 112.3 | L29 A30 L31 A35 F36 F37 G500 M504 | L29-Q33 WeakPolarHBondContact O-CB 3.23Å; L29-Q33 PolarHBondContact O-N 3.37Å; A30-Q33 WeakPolarHBondContact O-CB 3.42Å; A30-Q33 PolarHBondContact O-N 3.34Å; L31-Q33 VanDerWaalsContact C-N 3.33Å; Q33-A35 VanDerWaalsContact C-N 3.28Å; Q33-A35 PolarHBondContact O-N 3.33Å; Q33-F36 PolarHBondContact O-N 3.48Å; Q33-F37 HydrophobicContact CG-CD2 4.19Å; Q33-F37 HydrophobicContact CG-CE2 3.85Å; Q33-F37 VanDerWaalsContact O-CD2 3.26Å; Q33-F37 WeakPolarHBondContact O-CD2 3.39Å; Q33-F37 PolarHBondContact O-N 2.99Å; Q33-G500 PolarHBondContact NE2-O 3.43Å; Q33-M504 VanDerWaalsContact OE1-N 3.16Å |
| 34 | I | 92.3 | Very high | 89.4 | Confident | 93 Ų | 93 | 60.1 Ų | 60.1 | 48% | 0.477 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60 | -42 | 174.7 | -67.9 | 164.6 | 0 | 0 | 0 | 110 | A30 L31 F36 F37 L38 | A30-I34 VanDerWaalsContact O-CG1 3.29Å; A30-I34 WeakPolarHBondContact O-CG1 3.22Å; A30-I34 PolarHBondContact O-N 3.5Å; L31-I34 PolarHBondContact O-N 2.9Å; I34-F36 VanDerWaalsContact C-N 3.31Å; I34-F36 PolarHBondContact O-N 3.28Å; I34-F37 PolarHBondContact O-N 3.41Å; I34-L38 HydrophobicContact CG2-CD1 3.93Å; I34-L38 HydrophobicContact CG2-CG 4.24Å; I34-L38 WeakPolarHBondContact O-CG 3.28Å; I34-L38 PolarHBondContact O-N 3.48Å |
| 35 | A | 93.7 | Very high | 89.5 | Confident | 38 Ų | 38 | 56.4 Ų | 56.4 | 31% | 0.314 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.2 | -39.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L31 L32 Q33 L38 I39 | L31-A35 PolarHBondContact O-N 3.42Å; L32-A35 WeakPolarHBondContact O-CB 3.33Å; L32-A35 PolarHBondContact O-N 2.82Å; Q33-A35 VanDerWaalsContact C-N 3.28Å; Q33-A35 PolarHBondContact O-N 3.33Å; A35-L38 PolarHBondContact O-N 3.29Å; A35-I39 VanDerWaalsContact O-CG1 3.24Å; A35-I39 WeakPolarHBondContact O-CG1 3.38Å; A35-I39 PolarHBondContact O-N 2.98Å |
| 36 | F | 93.9 | Very high | 89.6 | Confident | 14 Ų | 14 | 55.9 Ų | 55.9 | 6% | 0.061 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65 | -38.4 | 176.1 | -67 | -50.3 | 0 | 0 | 0 | 113.7 | L32 Q33 I34 I39 G40 M257 L261 T499 V507 | L32-F36 HydrophobicContact CD1-CE1 4.5Å; L32-F36 HydrophobicContact CD1-CE2 3.96Å; L32-F36 HydrophobicContact CD1-CZ 3.82Å; L32-F36 HydrophobicContact CD2-CE2 4.2Å; L32-F36 HydrophobicContact CD2-CZ 4.43Å; L32-F36 HydrophobicContact CG-CD2 4.36Å; L32-F36 HydrophobicContact CG-CE2 3.63Å; L32-F36 HydrophobicContact CG-CZ 3.98Å; L32-F36 VanDerWaalsContact O-CD2 3.27Å; L32-F36 WeakPolarHBondContact O-CD2 3.39Å; L32-F36 PolarHBondContact O-N 3.33Å; L32-F36 VanDerWaalsContact O-N 3.1Å; Q33-F36 PolarHBondContact O-N 3.48Å; I34-F36 VanDerWaalsContact C-N 3.31Å; I34-F36 PolarHBondContact O-N 3.28Å; F36-I39 HydrophobicContact CD1-CD1 4.37Å; F36-I39 PolarHBondContact O-N 3.03Å; F36-G40 PolarHBondContact O-N 2.88Å; F36-M257 HydrophobicContact CB-CE 4.45Å; F36-M257 HydrophobicContact CD1-CE 3.39Å; F36-M257 HydrophobicContact CD1-SD 4.16Å; F36-M257 HydrophobicContact CE1-CE 3.7Å; F36-M257 HydrophobicContact CG-CE 3.94Å; F36-M257 HydrophobicContact CZ-CE 4.44Å; F36-L261 HydrophobicContact CE1-CD1 4.33Å; F36-L261 HydrophobicContact CE1-CD2 4.27Å; F36-L261 HydrophobicContact CZ-CD1 4.43Å; F36-L261 HydrophobicContact CZ-CD2 3.84Å; F36-T499 WeakPolarHBondContact O-CB 3.44Å; F36-T499 PolarHBondContact O-OG1 3.33Å; F36-V507 HydrophobicContact CE2-CG2 3.91Å |
| 37 | F | 91.3 | Very high | 89.8 | Confident | 56 Ų | 56 | 54.4 Ų | 54.4 | 25% | 0.246 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64 | -43.6 | 172.3 | -76.9 | -69.7 | 0 | 0 | 0 | 111.5 | Q33 I34 I39 G40 G41 A496 F497 | Q33-F37 HydrophobicContact CG-CD2 4.19Å; Q33-F37 HydrophobicContact CG-CE2 3.85Å; Q33-F37 VanDerWaalsContact O-CD2 3.26Å; Q33-F37 WeakPolarHBondContact O-CD2 3.39Å; Q33-F37 PolarHBondContact O-N 2.99Å; I34-F37 PolarHBondContact O-N 3.41Å; F37-I39 PolarHBondContact O-N 3.34Å; F37-G40 PolarHBondContact O-N 3.07Å; F37-G41 PolarHBondContact O-N 3.36Å; F37-A496 VanDerWaalsContact CD1-O 3.26Å; F37-A496 WeakPolarHBondContact CD1-O 3.44Å; F37-F497 HydrophobicContact CE1-CD1 4.01Å; F37-F497 HydrophobicContact CE1-CE1 4.45Å |
| 38 | L | 91.8 | Very high | 89.7 | Confident | 86 Ų | 86 | 53.2 Ų | 53.2 | 45% | 0.45 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.4 | -37.2 | 178.4 | -68 | 175.8 | 0 | 0 | 0 | 112.3 | I34 A35 G40 G41 L42 | I34-L38 HydrophobicContact CG2-CD1 3.93Å; I34-L38 HydrophobicContact CG2-CG 4.24Å; I34-L38 WeakPolarHBondContact O-CG 3.28Å; I34-L38 PolarHBondContact O-N 3.48Å; A35-L38 PolarHBondContact O-N 3.29Å; L38-G40 PolarHBondContact O-N 3.44Å; L38-G41 PolarHBondContact O-N 3.27Å; L38-L42 HydrophobicContact CB-CD1 4.26Å; L38-L42 HydrophobicContact CD2-CD1 4.08Å; L38-L42 VanDerWaalsContact O-CB 3.24Å; L38-L42 WeakPolarHBondContact O-CB 3.31Å; L38-L42 WeakPolarHBondContact O-CG 3.25Å; L38-L42 PolarHBondContact O-N 3.24Å |
| 39 | I | 92 | Very high | 89.6 | Confident | 57 Ų | 57 | 51 Ų | 51 | 29% | 0.292 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.3 | -47.7 | 176.6 | -72.8 | 163.8 | 0 | 0 | 0 | 110.7 | A35 F36 F37 F43 A44 V253 | A35-I39 VanDerWaalsContact O-CG1 3.24Å; A35-I39 WeakPolarHBondContact O-CG1 3.38Å; A35-I39 PolarHBondContact O-N 2.98Å; F36-I39 HydrophobicContact CD1-CD1 4.37Å; F36-I39 PolarHBondContact O-N 3.03Å; F37-I39 PolarHBondContact O-N 3.34Å; I39-F43 WeakPolarHBondContact O-CB 2.99Å; I39-F43 PolarHBondContact O-N 3.3Å; I39-F43 VanDerWaalsContact O-N 3.12Å; I39-A44 PolarHBondContact O-N 3.49Å; I39-V253 HydrophobicContact CG2-CG1 3.61Å |
| 40 | G | 87.1 | Confident | 89.6 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.9 | -46.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F36 F37 L38 L42 A44 S495 T499 | F36-G40 PolarHBondContact O-N 2.88Å; F37-G40 PolarHBondContact O-N 3.07Å; L38-G40 PolarHBondContact O-N 3.44Å; G40-L42 PolarHBondContact O-N 3Å; G40-A44 WeakPolarHBondContact O-CB 3.34Å; G40-A44 PolarHBondContact O-N 3.36Å; G40-A44 VanDerWaalsContact O-O 3.06Å; G40-S495 PolarHBondContact O-OG 2.9Å; G40-T499 WeakPolarHBondContact CA-OG1 3.5Å; G40-T499 PolarHBondContact N-OG1 3.14Å |
| 41 | G | 86 | Confident | 89.7 | Confident | 3 Ų | 3 | 53 Ų | 53 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -73 | -27.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | F37 L38 Q492 | F37-G41 PolarHBondContact O-N 3.36Å; L38-G41 PolarHBondContact O-N 3.27Å; G41-Q492 PolarHBondContact O-N 3.13Å |
| 42 | L | 87.5 | Confident | 89.6 | Confident | 110 Ų | 110 | 51.4 Ų | 51.4 | 58% | 0.576 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -105.6 | -31.3 | -176.4 | -60.3 | 177.1 | 0 | 0 | 0 | 114.1 | L38 G40 L491 | L38-L42 HydrophobicContact CB-CD1 4.26Å; L38-L42 HydrophobicContact CD2-CD1 4.08Å; L38-L42 VanDerWaalsContact O-CB 3.24Å; L38-L42 WeakPolarHBondContact O-CB 3.31Å; L38-L42 WeakPolarHBondContact O-CG 3.25Å; L38-L42 PolarHBondContact O-N 3.24Å; G40-L42 PolarHBondContact O-N 3Å; L42-L491 HydrophobicContact CD2-CD1 3.91Å |
| 43 | F | 89 | Confident | 89.5 | Confident | 154 Ų | 154 | 48 Ų | 48 | 68% | 0.675 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -112.1 | -30.8 | -173.4 | -62.6 | -87 | 0 | 0 | 0 | 113.9 | I39 | I39-F43 WeakPolarHBondContact O-CB 2.99Å; I39-F43 PolarHBondContact O-N 3.3Å; I39-F43 VanDerWaalsContact O-N 3.12Å |
| 44 | A | 88.1 | Confident | 89.6 | Confident | 3 Ų | 3 | 51.7 Ų | 51.7 | 3% | 0.025 | 28% | 0.276 | C | S | . | . | trans | -89.8 | 129.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | I39 G40 F250 V253 Q492 S495 | I39-A44 PolarHBondContact O-N 3.49Å; G40-A44 WeakPolarHBondContact O-CB 3.34Å; G40-A44 PolarHBondContact O-N 3.36Å; G40-A44 VanDerWaalsContact O-O 3.06Å; A44-F250 HydrophobicContact CB-CD2 3.95Å; A44-V253 HydrophobicContact CB-CB 3.92Å; A44-V253 HydrophobicContact CB-CG1 3.96Å; A44-V253 HydrophobicContact CB-CG2 3.99Å; A44-Q492 PolarHBondContact O-OE1 3.15Å; A44-S495 PolarHBondContact O-OG 3.25Å | ||
| 45 | P | 88.6 | Confident | 89.7 | Confident | 31 Ų | 31 | 47.6 Ų | 47.6 | 20% | 0.201 | 26% | 0.255 | C | S | . | . | trans | -69.1 | 178 | 169.4 | 35.3 | -38.6 | 0 | 0 | 0 | 111.1 | N247 G249 F250 Q492 S495 | P45-N247 WeakPolarHBondContact CB-ND2 3.27Å; P45-N247 HydrophobicContact CG-CB 4.32Å; P45-N247 WeakPolarHBondContact CG-OD1 3.29Å; P45-G249 VanDerWaalsContact CG-C 3.46Å; P45-F250 VanDerWaalsContact CD-N 3.35Å; P45-F250 HydrophobicContact CG-CB 4.21Å; P45-Q492 PolarHBondContact O-OE1 3.36Å; P45-S495 WeakPolarHBondContact O-CB 3.32Å | ||
| 46 | S | 86.2 | Confident | 89.7 | Confident | 47 Ų | 47 | 50.7 Ų | 50.7 | 33% | 0.329 | 26% | 0.259 | S | S | . | . | trans | -57.6 | 140.4 | -175.2 | 57.2 | 0 | 0 | 0 | 0 | 108.7 | S48 N247 | S46-S48 WeakPolarHBondContact CB-O 3.43Å; S46-S48 PolarHBondContact O-N 3.08Å; S46-S48 PolarHBondContact OG-O 2.93Å; S46-N247 WeakPolarHBondContact O-CB 3.43Å | ||
| 47 | P | 86.1 | Confident | 89.7 | Confident | 16 Ų | 16 | 50.5 Ų | 50.5 | 10% | 0.104 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -57.5 | -38.7 | -174.2 | -26.7 | 36.3 | 0 | 0 | 0 | 112.9 | Q246 N247 F250 L498 | P47-Q246 WeakPolarHBondContact O-CA 3.36Å; P47-Q246 VanDerWaalsContact O-CG 3.28Å; P47-Q246 WeakPolarHBondContact O-CG 3.37Å; P47-N247 PolarHBondContact O-N 3.2Å; P47-F250 HydrophobicContact CB-CD1 4.2Å; P47-F250 HydrophobicContact CB-CD2 4.23Å; P47-F250 HydrophobicContact CB-CE1 4.14Å; P47-F250 HydrophobicContact CB-CE2 4.17Å; P47-F250 HydrophobicContact CB-CG 4.26Å; P47-F250 HydrophobicContact CB-CZ 4.13Å; P47-F250 HydrophobicContact CG-CD2 4.15Å; P47-F250 HydrophobicContact CG-CE2 3.97Å; P47-F250 HydrophobicContact CG-CZ 4.3Å; P47-L498 HydrophobicContact CB-CD1 3.66Å; P47-L498 HydrophobicContact CG-CD1 3.41Å; P47-L498 VanDerWaalsContact CG-CD1 3.41Å |
| 48 | S | 87.1 | Confident | 89.8 | Confident | 54 Ų | 54 | 47.9 Ų | 47.9 | 38% | 0.378 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 154.3 | 173.5 | 50.9 | 0 | 0 | 0 | 0 | 111.1 | S46 H245 | S46-S48 WeakPolarHBondContact CB-O 3.43Å; S46-S48 PolarHBondContact O-N 3.08Å; S46-S48 PolarHBondContact OG-O 2.93Å; S48-H245 VanDerWaalsContact CA-O 3.31Å; S48-H245 WeakPolarHBondContact CA-O 3.48Å |
| 49 | A | 86.4 | Confident | 89.8 | Confident | 25 Ų | 25 | 44.1 Ų | 44.1 | 21% | 0.207 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 162.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | I244 H245 | A49-I244 WeakPolarHBondContact O-CA 3.36Å; A49-H245 PolarHBondContact N-O 3.38Å; A49-H245 PolarHBondContact O-N 2.96Å |
| 50 | W | 88.3 | Confident | 89.8 | Confident | 78 Ų | 78 | 41.4 Ų | 41.4 | 30% | 0.295 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 157.9 | -178.3 | 64.4 | -88.1 | 0 | 0 | 0 | 111.1 | N52 I242 E243 I244 L480 Y485 | W50-N52 HydrophobicContact CZ3-CB 4.01Å; W50-I242 HydrophobicContact CB-CG2 4.34Å; W50-I242 HydrophobicContact CE3-CG2 4.17Å; W50-E243 CarbonylContact C-O 3.42Å; W50-E243 WeakPolarHBondContact CA-O 3.46Å; W50-E243 VanDerWaalsContact CB-O 3.25Å; W50-E243 WeakPolarHBondContact CB-O 3.33Å; W50-I244 HydrophobicContact CB-CG1 3.99Å; W50-L480 HydrophobicContact CZ2-CD1 4.5Å; W50-L480 VanDerWaalsContact NE1-CD1 3.32Å; W50-Y485 AromaticContact CH2-CE1 3.79Å; W50-Y485 HydrophobicContact CH2-CE1 3.79Å; W50-Y485 AromaticContact CH2-CZ 3.68Å; W50-Y485 WeakPolarHBondContact CH2-OH 3.49Å; W50-Y485 AromaticContact CZ2-CE1 3.37Å; W50-Y485 HydrophobicContact CZ2-CE1 3.37Å; W50-Y485 AromaticContact CZ2-CZ 3.55Å; W50-Y485 WeakPolarHBondContact CZ2-OH 3.21Å |
| 51 | M | 90 | Very high | 89.8 | Confident | 45 Ų | 45 | 48.6 Ų | 48.6 | 22% | 0.222 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 136.1 | 177.9 | -68.1 | -176.2 | 68.5 | 0 | 0 | 109.2 | F53 P110 N111 L118 E243 | M51-F53 HydrophobicContact CB-CD2 4.37Å; M51-F53 HydrophobicContact CB-CE2 3.54Å; M51-F53 HydrophobicContact CB-CZ 3.93Å; M51-F53 HydrophobicContact CE-CZ 4.15Å; M51-F53 HydrophobicContact SD-CZ 4.41Å; M51-P110 HydrophobicContact CE-CB 4.37Å; M51-P110 HydrophobicContact SD-CB 4.33Å; M51-N111 HydrophobicContact CE-CB 3.93Å; M51-L118 HydrophobicContact CE-CD1 4.22Å; M51-E243 PolarHBondContact N-O 3.26Å; M51-E243 PolarHBondContact O-N 3.31Å |
| 52 | N | 90.8 | Very high | 89.9 | Confident | 74 Ų | 74 | 49.4 Ų | 49.4 | 40% | 0.396 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 137.8 | 173.5 | -169.2 | 13.2 | 0 | 0 | 0 | 110.4 | W50 N111 I241 | W50-N52 HydrophobicContact CZ3-CB 4.01Å; N52-N111 PolarHBondContact O-ND2 3.39Å; N52-I241 CarbonylContact C-O 3.51Å; N52-I241 WeakPolarHBondContact CA-O 3.42Å; N52-I241 PolarHBondContact OD1-O 3.47Å |
| 53 | F | 91.7 | Very high | 89.8 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.009 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 107.3 | -179.3 | -64.1 | -91.9 | 0 | 0 | 0 | 109.1 | M51 M55 M109 N111 N240 I241 E243 | M51-F53 HydrophobicContact CB-CD2 4.37Å; M51-F53 HydrophobicContact CB-CE2 3.54Å; M51-F53 HydrophobicContact CB-CZ 3.93Å; M51-F53 HydrophobicContact CE-CZ 4.15Å; M51-F53 HydrophobicContact SD-CZ 4.41Å; F53-M55 PolarHBondContact O-N 2.95Å; F53-M109 HydrophobicContact CD1-CG 3.95Å; F53-M109 HydrophobicContact CD2-CG 4.17Å; F53-M109 HydrophobicContact CD2-SD 4.45Å; F53-M109 HydrophobicContact CE1-CB 4.02Å; F53-M109 HydrophobicContact CE1-CG 3.69Å; F53-M109 HydrophobicContact CE2-CG 3.93Å; F53-M109 HydrophobicContact CE2-SD 4.31Å; F53-M109 HydrophobicContact CG-CG 4.19Å; F53-M109 HydrophobicContact CZ-CB 3.94Å; F53-M109 HydrophobicContact CZ-CG 3.7Å; F53-N111 HydrophobicContact CD1-CB 4.41Å; F53-N111 VanDerWaalsContact CD1-CG 3.41Å; F53-N111 VanDerWaalsContact CD1-ND2 3.28Å; F53-N111 WeakPolarHBondContact CD1-ND2 3.2Å; F53-N111 WeakPolarHBondContact CD1-OD1 3.37Å; F53-N111 HydrophobicContact CE1-CB 3.86Å; F53-N111 VanDerWaalsContact CE1-N 3.31Å; F53-N111 WeakPolarHBondContact CE1-OD1 3.41Å; F53-N240 CarbonylContact O-C 3.57Å; F53-N240 WeakPolarHBondContact O-CA 3.43Å; F53-I241 HydrophobicContact CB-CB 4.33Å; F53-I241 PolarHBondContact N-O 2.76Å; F53-I241 PolarHBondContact O-N 3.16Å; F53-E243 HydrophobicContact CD2-CB 4.07Å; F53-E243 HydrophobicContact CE2-CB 3.65Å; F53-E243 HydrophobicContact CE2-CG 4.39Å |
| 54 | L | 93.1 | Very high | 89.4 | Confident | 99 Ų | 99 | 40.2 Ų | 40.2 | 52% | 0.518 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 121.1 | 162.9 | 179.1 | 64.1 | 0 | 0 | 0 | 108.6 | E238 N240 | L54-E238 HydrophobicContact CD1-CB 4.15Å; L54-E238 HydrophobicContact CD1-CG 4.39Å; L54-E238 VanDerWaalsContact CD1-OE2 3.32Å; L54-E238 WeakPolarHBondContact CD1-OE2 3.45Å; L54-N240 VanDerWaalsContact CA-OD1 3.26Å; L54-N240 WeakPolarHBondContact CA-OD1 3.42Å; L54-N240 WeakPolarHBondContact CD1-OD1 3.28Å |
| 55 | M | 94.1 | Very high | 89.2 | Confident | 7 Ų | 7 | 48.1 Ų | 48.1 | 3% | 0.034 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -73.2 | 129.9 | 179.3 | -60 | -167.4 | 79.6 | 0 | 0 | 109.8 | F53 F105 V106 A107 L131 I218 L239 I241 | F53-M55 PolarHBondContact O-N 2.95Å; M55-F105 HydrophobicContact CB-CB 4.09Å; M55-F105 HydrophobicContact CB-CD1 4.44Å; M55-F105 VanDerWaalsContact CE-C 3.42Å; M55-F105 HydrophobicContact CE-CB 3.6Å; M55-F105 WeakPolarHBondContact CE-O 3.45Å; M55-F105 HydrophobicContact SD-CB 3.88Å; M55-V106 WeakPolarHBondContact CA-O 3.36Å; M55-A107 HydrophobicContact CE-CB 4.08Å; M55-A107 HydrophobicContact CG-CB 4.25Å; M55-L131 HydrophobicContact SD-CD1 4.22Å; M55-I218 HydrophobicContact CE-CB 4.12Å; M55-I218 HydrophobicContact CE-CD1 3.64Å; M55-I218 HydrophobicContact CE-CG1 3.73Å; M55-I218 HydrophobicContact SD-CD1 3.92Å; M55-L239 HydrophobicContact CB-CB 4.12Å; M55-L239 VanDerWaalsContact CB-O 3.29Å; M55-L239 WeakPolarHBondContact CB-O 3.46Å; M55-L239 HydrophobicContact CG-CB 3.98Å; M55-L239 VanDerWaalsContact CG-O 3.28Å; M55-L239 WeakPolarHBondContact CG-O 3.4Å; M55-L239 PolarHBondContact N-O 3.48Å; M55-L239 HydrophobicContact SD-CB 3.59Å; M55-L239 VanDerWaalsContact SD-CB 3.59Å; M55-L239 HydrophobicContact SD-CD1 4.02Å; M55-L239 HydrophobicContact SD-CG 4.48Å; M55-I241 HydrophobicContact CE-CD1 3.82Å; M55-I241 HydrophobicContact CG-CD1 4.04Å; M55-I241 HydrophobicContact CG-CG1 4.07Å; M55-I241 HydrophobicContact SD-CD1 3.57Å; M55-I241 VanDerWaalsContact SD-CD1 3.57Å; M55-I241 HydrophobicContact SD-CG1 3.9Å |
| 56 | R | 94 | Very high | 89 | Confident | 104 Ų | 104 | 52 Ų | 52 | 39% | 0.392 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 146.5 | 175.1 | -72.8 | 169.2 | 171.2 | -129.4 | 13.6 | 110.3 | V72 E82 F105 V106 | R56-V72 HydrophobicContact CB-CG2 3.95Å; R56-V72 VanDerWaalsContact CD-CG1 3.48Å; R56-V72 HydrophobicContact CG-CG2 4.4Å; R56-E82 WeakPolarHBondContact CD-OE1 3.28Å; R56-E82 WeakPolarHBondContact CG-OE1 3.4Å; R56-E82 IonicContact CZ-OE1 3.34Å; R56-E82 IonicContact NE-OE1 3.62Å; R56-E82 IonicContact NH1-OE1 3.52Å; R56-E82 PolarHBondContact NH1-OE1 3.09Å; R56-E82 IonicContact NH1-OE2 2.83Å; R56-E82 PolarHBondContact NH1-OE2 2.89Å; R56-F105 CarbonylContact O-C 3.5Å; R56-F105 WeakPolarHBondContact O-CA 3.3Å; R56-V106 PolarHBondContact N-O 2.95Å; R56-V106 PolarHBondContact O-N 3.49Å |
| 57 | I | 94.1 | Very high | 88.9 | Confident | 10 Ų | 10 | 51.4 Ų | 51.4 | 5% | 0.051 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 115.8 | -172.2 | -52.3 | 174.8 | 0 | 0 | 0 | 108.6 | E82 L83 L86 L103 F105 | I57-E82 CarbonylContact O-C 3.55Å; I57-E82 WeakPolarHBondContact O-CA 3.36Å; I57-L83 HydrophobicContact CB-CB 3.96Å; I57-L83 HydrophobicContact CG2-CB 4.03Å; I57-L83 HydrophobicContact CG2-CD1 3.81Å; I57-L83 PolarHBondContact O-N 3.25Å; I57-L86 HydrophobicContact CD1-CD1 4.48Å; I57-L86 HydrophobicContact CD1-CD2 3.84Å; I57-L86 HydrophobicContact CD1-CG 3.8Å; I57-L86 HydrophobicContact CG2-CD2 4.42Å; I57-L103 HydrophobicContact CG2-CB 4.44Å; I57-L103 HydrophobicContact CG2-CD2 4.26Å; I57-F105 HydrophobicContact CD1-CD1 4.41Å; I57-F105 HydrophobicContact CD1-CE1 3.82Å; I57-F105 HydrophobicContact CG1-CD1 3.8Å; I57-F105 HydrophobicContact CG1-CE1 3.7Å |
| 58 | C | 93.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 141.7 | 177.6 | -61.4 | 0 | 0 | 0 | 0 | 110.9 | F70 C79 V104 V106 | C58-F70 HydrophobicContact CB-CB 4.24Å; C58-F70 HydrophobicContact CB-CD1 3.69Å; C58-F70 HydrophobicContact CB-CE1 4.44Å; C58-F70 HydrophobicContact CB-CG 4.2Å; C58-C79 VanDerWaalsContact CA-SG 3.5Å; C58-C79 HydrophobicContact CB-CB 4.1Å; C58-C79 WeakPolarHBondContact CB-SG 3.49Å; C58-C79 WeakPolarHBondContact SG-CB 3.48Å; C58-C79 CovalentContact SG-SG 2.03Å; C58-C79 PolarHBondContact SG-SG 2.91Å; C58-V104 HydrophobicContact CB-CB 4.43Å; C58-V104 PolarHBondContact N-O 2.98Å; C58-V104 PolarHBondContact O-N 2.74Å; C58-V106 HydrophobicContact CB-CG2 4.24Å |
| 59 | V | 92.4 | Very high | 89.3 | Confident | 8 Ų | 8 | 54.1 Ų | 54.1 | 5% | 0.048 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 121.8 | 178.1 | -177 | 0 | 0 | 0 | 0 | 111.1 | R61 E81 L83 E102 | V59-R61 HydrophobicContact CG1-CG 4.23Å; V59-E81 HydrophobicContact CB-CB 4.02Å; V59-E81 HydrophobicContact CB-CG 3.84Å; V59-E81 HydrophobicContact CG2-CB 4.35Å; V59-E81 HydrophobicContact CG2-CG 3.74Å; V59-E81 PolarHBondContact N-O 3.3Å; V59-L83 HydrophobicContact CG2-CD1 3.27Å; V59-L83 HydrophobicContact CG2-CG 4.08Å; V59-E102 CarbonylContact C-O 3.45Å; V59-E102 WeakPolarHBondContact CA-O 3.24Å; V59-E102 HydrophobicContact CG1-CG 3.73Å |
| 60 | D | 91.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -112.4 | 90.6 | 176.3 | -170.7 | 14.3 | 0 | 0 | 0 | 112.9 | S62 L63 G64 R68 F70 E102 V104 R219 | D60-S62 VanDerWaalsContact CG-OG 3.3Å; D60-S62 PolarHBondContact O-N 3.48Å; D60-S62 VanDerWaalsContact O-N 3.13Å; D60-S62 WeakPolarHBondContact OD1-CB 3.48Å; D60-S62 PolarHBondContact OD1-N 3.38Å; D60-S62 VanDerWaalsContact OD1-N 3.11Å; D60-S62 PolarHBondContact OD1-OG 3.31Å; D60-S62 PolarHBondContact OD2-OG 3.47Å; D60-L63 PolarHBondContact O-N 3.5Å; D60-G64 WeakPolarHBondContact OD2-CA 3.32Å; D60-G64 PolarHBondContact OD2-N 2.97Å; D60-R68 IonicContact OD1-CZ 3.49Å; D60-R68 IonicContact OD1-NE 3.4Å; D60-R68 PolarHBondContact OD1-NE 3.03Å; D60-R68 IonicContact OD1-NH2 3.96Å; D60-R68 PolarHBondContact OD1-NH2 3.36Å; D60-F70 HydrophobicContact CB-CE1 4.03Å; D60-F70 HydrophobicContact CB-CE2 3.8Å; D60-F70 HydrophobicContact CB-CZ 3.29Å; D60-F70 WeakPolarHBondContact OD1-CZ 3.23Å; D60-F70 WeakPolarHBondContact OD2-CE2 3.35Å; D60-E102 PolarHBondContact N-O 2.87Å; D60-V104 HydrophobicContact CB-CG2 3.72Å; D60-R219 IonicContact OD2-CZ 3.34Å; D60-R219 IonicContact OD2-NE 3.73Å; D60-R219 IonicContact OD2-NH2 3.07Å; D60-R219 PolarHBondContact OD2-NH2 2.95Å | ||
| 61 | R | 88.1 | Confident | 89.9 | Confident | 150 Ų | 150 | 50.3 Ų | 50.3 | 57% | 0.566 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -16 | 176.5 | -56.5 | -177.8 | -173.5 | -170.3 | -2.7 | 114.1 | V59 L63 E81 | V59-R61 HydrophobicContact CG1-CG 4.23Å; R61-L63 VanDerWaalsContact C-N 3.29Å; R61-E81 IonicContact CZ-OE2 3.31Å; R61-E81 VanDerWaalsContact CZ-OE2 3.31Å; R61-E81 IonicContact NE-OE2 3.1Å; R61-E81 PolarHBondContact NE-OE2 3Å; R61-E81 VanDerWaalsContact NE-OE2 3.1Å; R61-E81 IonicContact NH2-OE1 3.36Å; R61-E81 PolarHBondContact NH2-OE1 2.96Å; R61-E81 IonicContact NH2-OE2 2.74Å; R61-E81 PolarHBondContact NH2-OE2 3.1Å |
| 62 | S | 87.6 | Confident | 89.8 | Confident | 20 Ų | 20 | 48.3 Ų | 48.3 | 14% | 0.14 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -6 | 176.1 | 77.1 | 0 | 0 | 0 | 0 | 113.3 | D60 G64 Q65 D66 | D60-S62 VanDerWaalsContact CG-OG 3.3Å; D60-S62 PolarHBondContact O-N 3.48Å; D60-S62 VanDerWaalsContact O-N 3.13Å; D60-S62 WeakPolarHBondContact OD1-CB 3.48Å; D60-S62 PolarHBondContact OD1-N 3.38Å; D60-S62 VanDerWaalsContact OD1-N 3.11Å; D60-S62 PolarHBondContact OD1-OG 3.31Å; D60-S62 PolarHBondContact OD2-OG 3.47Å; S62-G64 PolarHBondContact O-N 2.87Å; S62-G64 VanDerWaalsContact O-N 3.14Å; S62-G64 PolarHBondContact OG-N 2.9Å; S62-Q65 WeakPolarHBondContact O-CB 3.43Å; S62-Q65 VanDerWaalsContact O-CG 3.28Å; S62-Q65 WeakPolarHBondContact O-CG 3.4Å; S62-Q65 PolarHBondContact O-N 2.96Å; S62-D66 WeakPolarHBondContact CB-OD2 3.41Å |
| 63 | L | 84.3 | Confident | 89.6 | Confident | 50 Ų | 50 | 47.3 Ų | 47.3 | 26% | 0.262 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 32.1 | -175.4 | -59 | 176.3 | 0 | 0 | 0 | 113.2 | D60 R61 Q65 T97 D99 R101 E102 | D60-L63 PolarHBondContact O-N 3.5Å; R61-L63 VanDerWaalsContact C-N 3.29Å; L63-Q65 VanDerWaalsContact C-N 3.35Å; L63-Q65 PolarHBondContact O-N 3.49Å; L63-T97 HydrophobicContact CD1-CG2 4.19Å; L63-T97 HydrophobicContact CD2-CG2 3.96Å; L63-T97 HydrophobicContact CG-CG2 4.09Å; L63-D99 HydrophobicContact CD1-CB 4.36Å; L63-D99 HydrophobicContact CD2-CB 4.04Å; L63-R101 HydrophobicContact CD2-CB 4.18Å; L63-E102 HydrophobicContact CD2-CB 3.94Å |
| 64 | G | 82.5 | Confident | 89 | Confident | 22 Ų | 22 | 49.7 Ų | 49.7 | 23% | 0.227 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 4.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | D60 S62 D66 G67 | D60-G64 WeakPolarHBondContact OD2-CA 3.32Å; D60-G64 PolarHBondContact OD2-N 2.97Å; S62-G64 PolarHBondContact O-N 2.87Å; S62-G64 VanDerWaalsContact O-N 3.14Å; S62-G64 PolarHBondContact OG-N 2.9Å; G64-D66 VanDerWaalsContact C-N 3.26Å; G64-D66 PolarHBondContact O-N 3.31Å; G64-G67 PolarHBondContact O-N 2.88Å |
| 65 | Q | 82.1 | Confident | 88.3 | Confident | 168 Ų | 168 | 51.8 Ų | 51.8 | 79% | 0.785 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -32.1 | 179.4 | -67.9 | -179.4 | 8.9 | 0 | 0 | 112.8 | S62 L63 G67 | S62-Q65 WeakPolarHBondContact O-CB 3.43Å; S62-Q65 VanDerWaalsContact O-CG 3.28Å; S62-Q65 WeakPolarHBondContact O-CG 3.4Å; S62-Q65 PolarHBondContact O-N 2.96Å; L63-Q65 VanDerWaalsContact C-N 3.35Å; L63-Q65 PolarHBondContact O-N 3.49Å; Q65-G67 VanDerWaalsContact C-N 3.28Å; Q65-G67 PolarHBondContact O-N 3.3Å |
| 66 | D | 84.7 | Confident | 87.6 | Confident | 114 Ų | 114 | 54.3 Ų | 54.3 | 61% | 0.61 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -9.8 | -176.8 | -62.7 | -18.4 | 0 | 0 | 0 | 113.2 | S62 G64 R68 | S62-D66 WeakPolarHBondContact CB-OD2 3.41Å; G64-D66 VanDerWaalsContact C-N 3.26Å; G64-D66 PolarHBondContact O-N 3.31Å; D66-R68 HydrophobicContact CB-CG 4.41Å; D66-R68 PolarHBondContact O-N 3.4Å |
| 67 | G | 85.1 | Confident | 87.1 | Confident | 33 Ų | 33 | 54.8 Ų | 54.8 | 34% | 0.34 | 28% | 0.275 | S | S | . | . | trans | 64.5 | 2.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | G64 Q65 R156 | G64-G67 PolarHBondContact O-N 2.88Å; Q65-G67 VanDerWaalsContact C-N 3.28Å; Q65-G67 PolarHBondContact O-N 3.3Å; G67-R156 PolarHBondContact O-NH1 3Å; G67-R156 PolarHBondContact O-NH2 3.23Å | ||
| 68 | R | 89.9 | Confident | 86.7 | Confident | 90 Ų | 90 | 54.9 Ų | 54.9 | 34% | 0.34 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -58 | 149 | -177.1 | 66 | -179.4 | 174.2 | 155.6 | 4.5 | 113.5 | D60 D66 F70 | D60-R68 IonicContact OD1-CZ 3.49Å; D60-R68 IonicContact OD1-NE 3.4Å; D60-R68 PolarHBondContact OD1-NE 3.03Å; D60-R68 IonicContact OD1-NH2 3.96Å; D60-R68 PolarHBondContact OD1-NH2 3.36Å; D66-R68 HydrophobicContact CB-CG 4.41Å; D66-R68 PolarHBondContact O-N 3.4Å; R68-F70 HydrophobicContact CG-CE2 3.82Å; R68-F70 HydrophobicContact CG-CZ 3.91Å; R68-F70 VanDerWaalsContact CZ-CZ 3.45Å |
| 69 | W | 92 | Very high | 86.5 | Confident | 37 Ų | 37 | 55 Ų | 55 | 14% | 0.14 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -88.6 | 126.2 | 172.6 | -71.6 | 106.4 | 0 | 0 | 0 | 110.2 | R156 W169 E171 L215 | W69-R156 HydrophobicContact CH2-CB 3.77Å; W69-R156 HydrophobicContact CZ3-CB 3.75Å; W69-W169 HydrophobicContact CB-CB 4.12Å; W69-W169 HydrophobicContact CB-CG 4.41Å; W69-W169 HydrophobicContact CD2-CB 4.09Å; W69-W169 HydrophobicContact CG-CB 3.7Å; W69-W169 HydrophobicContact CG-CG 4.44Å; W69-W169 PolarHBondContact NE1-O 3.24Å; W69-E171 HydrophobicContact CH2-CG 4.3Å; W69-E171 HydrophobicContact CZ2-CB 3.77Å; W69-E171 HydrophobicContact CZ2-CG 3.87Å; W69-L215 HydrophobicContact CB-CD2 4.15Å; W69-L215 HydrophobicContact CD2-CD2 4.32Å; W69-L215 HydrophobicContact CE3-CD2 3.76Å; W69-L215 HydrophobicContact CE3-CG 4.46Å |
| 70 | F | 93.4 | Very high | 86.1 | Confident | 3 Ų | 3 | 62.8 Ų | 62.8 | 1% | 0.013 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -88.1 | 124.3 | 168.6 | -66.1 | -89.6 | 0 | 0 | 0 | 109.4 | C58 D60 R68 G78 V104 V106 L215 N217 | C58-F70 HydrophobicContact CB-CB 4.24Å; C58-F70 HydrophobicContact CB-CD1 3.69Å; C58-F70 HydrophobicContact CB-CE1 4.44Å; C58-F70 HydrophobicContact CB-CG 4.2Å; D60-F70 HydrophobicContact CB-CE1 4.03Å; D60-F70 HydrophobicContact CB-CE2 3.8Å; D60-F70 HydrophobicContact CB-CZ 3.29Å; D60-F70 WeakPolarHBondContact OD1-CZ 3.23Å; D60-F70 WeakPolarHBondContact OD2-CE2 3.35Å; R68-F70 HydrophobicContact CG-CE2 3.82Å; R68-F70 HydrophobicContact CG-CZ 3.91Å; R68-F70 VanDerWaalsContact CZ-CZ 3.45Å; F70-G78 WeakPolarHBondContact CA-O 3.43Å; F70-G78 WeakPolarHBondContact CD1-O 3.32Å; F70-V104 HydrophobicContact CB-CG1 4.33Å; F70-V104 HydrophobicContact CD2-CB 4.23Å; F70-V104 HydrophobicContact CD2-CG1 3.98Å; F70-V104 HydrophobicContact CD2-CG2 3.98Å; F70-V104 HydrophobicContact CE2-CG2 3.97Å; F70-V104 HydrophobicContact CG-CB 4.36Å; F70-V104 HydrophobicContact CG-CG1 4.26Å; F70-V104 HydrophobicContact CG-CG2 4.47Å; F70-V104 HydrophobicContact CZ-CG2 4.43Å; F70-V106 HydrophobicContact CB-CG2 3.61Å; F70-V106 WeakPolarHBondContact O-CG1 3.34Å; F70-L215 WeakPolarHBondContact O-CD2 3.32Å; F70-N217 PolarHBondContact N-ND2 3.34Å; F70-N217 VanDerWaalsContact N-ND2 3.11Å; F70-N217 PolarHBondContact O-ND2 2.87Å; F70-N217 PolarHBondContact O-OD1 3.32Å; F70-N217 VanDerWaalsContact O-OD1 3.12Å |
| 71 | Y | 92.4 | Very high | 86 | Confident | 21 Ų | 21 | 66 Ų | 66 | 8% | 0.082 | 33% | 0.33 | C | S | . | . | trans | -141.8 | 152.9 | 176.2 | 61.5 | -91.2 | 0 | 0 | 0 | 109.1 | R73 E77 G78 C79 D167 W169 | Y71-R73 WeakPolarHBondContact CD2-O 3.37Å; Y71-E77 HydrophobicContact CE2-CB 4.28Å; Y71-G78 CarbonylContact O-C 3.27Å; Y71-G78 VanDerWaalsContact O-C 3.27Å; Y71-G78 WeakPolarHBondContact O-CA 3.17Å; Y71-C79 WeakPolarHBondContact O-CB 3.29Å; Y71-C79 PolarHBondContact O-N 3.36Å; Y71-D167 HydrophobicContact CE1-CB 4.32Å; Y71-D167 WeakPolarHBondContact OH-CB 3.5Å; Y71-W169 AromaticContact CD1-CD1 3.74Å; Y71-W169 AromaticContact CD1-NE1 3.64Å; Y71-W169 AromaticContact CG-NE1 3.61Å | ||
| 72 | V | 88.2 | Confident | 86 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.012 | 32% | 0.317 | C | S | . | . | trans | -98.5 | -39.1 | -172.2 | 176 | 0 | 0 | 0 | 0 | 110.4 | R56 N76 V106 | R56-V72 HydrophobicContact CB-CG2 3.95Å; R56-V72 VanDerWaalsContact CD-CG1 3.48Å; R56-V72 HydrophobicContact CG-CG2 4.4Å; V72-N76 WeakPolarHBondContact CG1-OD1 3.15Å; V72-N76 WeakPolarHBondContact O-CA 3.31Å; V72-N76 PolarHBondContact O-N 3.03Å; V72-N76 PolarHBondContact O-OD1 2.79Å; V72-V106 HydrophobicContact CG2-CG1 4.23Å | ||
| 73 | R | 87 | Confident | 86.1 | Confident | 53 Ų | 53 | 62.2 Ų | 62.2 | 20% | 0.2 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | 137.4 | -176.8 | -59 | -178 | -67 | -84.4 | 4.2 | 111.1 | Y71 Q108 P110 | Y71-R73 WeakPolarHBondContact CD2-O 3.37Å; R73-Q108 PolarHBondContact NH2-O 3.4Å; R73-Q108 PolarHBondContact O-NE2 3.46Å; R73-Q108 VanDerWaalsContact O-NE2 3.16Å; R73-P110 PolarHBondContact NH2-O 2.93Å |
| 74 | P | 79.7 | Confident | 86.1 | Confident | 53 Ų | 53 | 69.6 Ų | 69.6 | 34% | 0.344 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -84.5 | 151.9 | 0.1 | 33.5 | -33.3 | 0 | 0 | 0 | 113.9 | N76 E77 P166 | P74-N76 VanDerWaalsContact C-N 3.3Å; P74-N76 PolarHBondContact O-N 3.28Å; P74-N76 VanDerWaalsContact O-N 3.1Å; P74-E77 PolarHBondContact O-N 2.73Å; P74-P166 VanDerWaalsContact CD-CB 3.44Å; P74-P166 HydrophobicContact CG-CB 3.68Å; P74-P166 HydrophobicContact CG-CG 4.1Å |
| 75 | N | 78.2 | Confident | 86.2 | Confident | 143 Ų | 143 | 72.7 Ų | 72.7 | 77% | 0.765 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 27.3 | 168.5 | -62.9 | -14.9 | 0 | 0 | 0 | 117.9 | E77 | N75-E77 HydrophobicContact CB-CG 4.3Å; N75-E77 PolarHBondContact O-N 3.18Å |
| 76 | N | 79.6 | Confident | 86.4 | Confident | 59 Ų | 59 | 66 Ų | 66 | 32% | 0.316 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 21.1 | 180 | -68.2 | 1.4 | 0 | 0 | 0 | 114.3 | V72 P74 G78 C79 Q80 E82 | V72-N76 WeakPolarHBondContact CG1-OD1 3.15Å; V72-N76 WeakPolarHBondContact O-CA 3.31Å; V72-N76 PolarHBondContact O-N 3.03Å; V72-N76 PolarHBondContact O-OD1 2.79Å; P74-N76 VanDerWaalsContact C-N 3.3Å; P74-N76 PolarHBondContact O-N 3.28Å; P74-N76 VanDerWaalsContact O-N 3.1Å; N76-G78 VanDerWaalsContact C-N 3.26Å; N76-G78 PolarHBondContact O-N 2.79Å; N76-C79 CarbonylContact O-C 3.1Å; N76-C79 PolarHBondContact O-N 2.91Å; N76-Q80 PolarHBondContact O-N 3.03Å; N76-E82 PolarHBondContact ND2-OE2 3.28Å |
| 77 | E | 83.1 | Confident | 86.1 | Confident | 115 Ų | 115 | 61.5 Ų | 61.5 | 54% | 0.537 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -37.2 | -177 | -68.6 | -178.4 | 171.9 | 0 | 0 | 112.1 | Y71 P74 N75 C79 | Y71-E77 HydrophobicContact CE2-CB 4.28Å; P74-E77 PolarHBondContact O-N 2.73Å; N75-E77 HydrophobicContact CB-CG 4.3Å; N75-E77 PolarHBondContact O-N 3.18Å; E77-C79 VanDerWaalsContact C-N 3.33Å |
| 78 | G | 84.7 | Confident | 85.6 | Confident | 11 Ų | 11 | 68.3 Ų | 68.3 | 11% | 0.113 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -9.4 | 176 | 0 | 0 | 0 | 0 | 0 | 114.6 | F70 Y71 N76 | F70-G78 WeakPolarHBondContact CA-O 3.43Å; F70-G78 WeakPolarHBondContact CD1-O 3.32Å; Y71-G78 CarbonylContact O-C 3.27Å; Y71-G78 VanDerWaalsContact O-C 3.27Å; Y71-G78 WeakPolarHBondContact O-CA 3.17Å; N76-G78 VanDerWaalsContact C-N 3.26Å; N76-G78 PolarHBondContact O-N 2.79Å |
| 79 | C | 90 | Very high | 84.6 | Confident | 2 Ų | 2 | 67.1 Ų | 67.1 | 1% | 0.014 | 33% | 0.331 | C | S | . | . | trans | -137 | 67.8 | -176.3 | -173.4 | 0 | 0 | 0 | 0 | 109.2 | C58 Y71 N76 E77 E81 | C58-C79 VanDerWaalsContact CA-SG 3.5Å; C58-C79 HydrophobicContact CB-CB 4.1Å; C58-C79 WeakPolarHBondContact CB-SG 3.49Å; C58-C79 WeakPolarHBondContact SG-CB 3.48Å; C58-C79 CovalentContact SG-SG 2.03Å; C58-C79 PolarHBondContact SG-SG 2.91Å; Y71-C79 WeakPolarHBondContact O-CB 3.29Å; Y71-C79 PolarHBondContact O-N 3.36Å; N76-C79 CarbonylContact O-C 3.1Å; N76-C79 PolarHBondContact O-N 2.91Å; E77-C79 VanDerWaalsContact C-N 3.33Å; C79-E81 PolarHBondContact O-N 3.49Å | ||
| 80 | Q | 84.9 | Confident | 83.6 | Confident | 173 Ų | 173 | 73.4 Ų | 73.4 | 81% | 0.808 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -59.5 | -31.4 | -174 | -65.7 | 179.8 | -12.3 | 0 | 0 | 113.3 | N76 | N76-Q80 PolarHBondContact O-N 3.03Š|
| 81 | E | 88.5 | Confident | 82.8 | Confident | 67 Ų | 67 | 78.4 Ų | 78.4 | 31% | 0.313 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -122.3 | 96.7 | 177.9 | -174.9 | 171.8 | -162.8 | 0 | 0 | 107.7 | V59 R61 C79 | V59-E81 HydrophobicContact CB-CB 4.02Å; V59-E81 HydrophobicContact CB-CG 3.84Å; V59-E81 HydrophobicContact CG2-CB 4.35Å; V59-E81 HydrophobicContact CG2-CG 3.74Å; V59-E81 PolarHBondContact N-O 3.3Å; R61-E81 IonicContact CZ-OE2 3.31Å; R61-E81 VanDerWaalsContact CZ-OE2 3.31Å; R61-E81 IonicContact NE-OE2 3.1Å; R61-E81 PolarHBondContact NE-OE2 3Å; R61-E81 VanDerWaalsContact NE-OE2 3.1Å; R61-E81 IonicContact NH2-OE1 3.36Å; R61-E81 PolarHBondContact NH2-OE1 2.96Å; R61-E81 IonicContact NH2-OE2 2.74Å; R61-E81 PolarHBondContact NH2-OE2 3.1Å; C79-E81 PolarHBondContact O-N 3.49Å |
| 82 | E | 88.1 | Confident | 82 | Confident | 65 Ų | 65 | 80.6 Ų | 80.6 | 30% | 0.304 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 134.4 | 176.8 | -174.8 | 176.9 | -170.4 | 0 | 0 | 109.5 | R56 I57 N76 | R56-E82 WeakPolarHBondContact CD-OE1 3.28Å; R56-E82 WeakPolarHBondContact CG-OE1 3.4Å; R56-E82 IonicContact CZ-OE1 3.34Å; R56-E82 IonicContact NE-OE1 3.62Å; R56-E82 IonicContact NH1-OE1 3.52Å; R56-E82 PolarHBondContact NH1-OE1 3.09Å; R56-E82 IonicContact NH1-OE2 2.83Å; R56-E82 PolarHBondContact NH1-OE2 2.89Å; I57-E82 CarbonylContact O-C 3.55Å; I57-E82 WeakPolarHBondContact O-CA 3.36Å; N76-E82 PolarHBondContact ND2-OE2 3.28Å |
| 83 | L | 88.9 | Confident | 81.6 | Confident | 26 Ų | 26 | 83.4 Ų | 83.4 | 14% | 0.136 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 130.7 | 175.3 | -76.5 | 143.2 | 0 | 0 | 0 | 109.7 | I57 V59 H93 L103 | I57-L83 HydrophobicContact CB-CB 3.96Å; I57-L83 HydrophobicContact CG2-CB 4.03Å; I57-L83 HydrophobicContact CG2-CD1 3.81Å; I57-L83 PolarHBondContact O-N 3.25Å; V59-L83 HydrophobicContact CG2-CD1 3.27Å; V59-L83 HydrophobicContact CG2-CG 4.08Å; L83-H93 VanDerWaalsContact CD2-CE1 3.43Å; L83-H93 WeakPolarHBondContact CD2-CE1 3.41Å; L83-H93 VanDerWaalsContact CD2-ND1 3.35Å; L83-H93 WeakPolarHBondContact CD2-ND1 3.4Å; L83-L103 HydrophobicContact CD1-CD2 3.81Å |
| 84 | E | 85.5 | Confident | 81.1 | Confident | 204 Ų | 204 | 85.2 Ų | 85.2 | 95% | 0.953 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -72.2 | -40.1 | 172.6 | -67.5 | -175.1 | 171.5 | 0 | 0 | 111.5 | ||
| 85 | D | 84.9 | Confident | 81.2 | Confident | 87 Ų | 87 | 85.3 Ų | 85.3 | 47% | 0.465 | 44% | 0.44 | S | S | . | . | trans | -143.9 | 170.2 | 177.4 | 69.5 | 19.4 | 0 | 0 | 0 | 111.6 | G87 | D85-G87 PolarHBondContact O-N 3.32Å; D85-G87 VanDerWaalsContact OD1-CA 3.3Å; D85-G87 WeakPolarHBondContact OD1-CA 3.32Å; D85-G87 PolarHBondContact OD1-N 3.42Å | ||
| 86 | L | 84.9 | Confident | 81.3 | Confident | 27 Ų | 27 | 84.1 Ų | 84.1 | 14% | 0.141 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -82.6 | 16.2 | 174 | -67.7 | 173.3 | 0 | 0 | 0 | 112.9 | I57 H93 L103 F105 L236 | I57-L86 HydrophobicContact CD1-CD1 4.48Å; I57-L86 HydrophobicContact CD1-CD2 3.84Å; I57-L86 HydrophobicContact CD1-CG 3.8Å; I57-L86 HydrophobicContact CG2-CD2 4.42Å; L86-H93 PolarHBondContact O-N 3.32Å; L86-H93 VanDerWaalsContact O-N 3.14Å; L86-L103 HydrophobicContact CD2-CD1 3.57Å; L86-F105 HydrophobicContact CD1-CZ 4.31Å; L86-L236 HydrophobicContact CD1-CB 4.36Å; L86-L236 HydrophobicContact CD1-CD2 4.31Å; L86-L236 HydrophobicContact CD1-CG 4.16Å; L86-L236 VanDerWaalsContact CD1-O 3.31Å; L86-L236 WeakPolarHBondContact CD1-O 3.46Å |
| 87 | G | 79.5 | Confident | 81.1 | Confident | 20 Ų | 20 | 84 Ų | 84 | 21% | 0.206 | 43% | 0.434 | C | S | . | . | B | Isolated β-bridge | trans | 79.4 | 177.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D85 R235 | D85-G87 PolarHBondContact O-N 3.32Å; D85-G87 VanDerWaalsContact OD1-CA 3.3Å; D85-G87 WeakPolarHBondContact OD1-CA 3.32Å; D85-G87 PolarHBondContact OD1-N 3.42Å; G87-R235 PolarHBondContact O-NH2 3.33Å |
| 88 | R | 75.2 | Confident | 80.9 | Confident | 177 Ų | 177 | 81.3 Ų | 81.3 | 67% | 0.668 | 44% | 0.438 | S | S | * | . | trans | -89.1 | 163.6 | 178 | -68.6 | -175.3 | -174.6 | 171.7 | 2.3 | 112 | E90 V91 R235 | R88-E90 PolarHBondContact O-N 2.97Å; R88-V91 PolarHBondContact N-O 3.44Å; R88-V91 CarbonylContact O-C 3.59Å; R88-V91 PolarHBondContact O-N 3.26Å; R88-V91 VanDerWaalsContact O-N 3.15Å; R88-R235 PolarHBondContact O-NH2 3.19Å; R88-R235 VanDerWaalsContact O-NH2 3.16Å | ||
| 89 | P | 68.4 | Low | 80.8 | Confident | 65 Ų | 65 | 81.4 Ų | 81.4 | 42% | 0.422 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -51.6 | -36.8 | 175.2 | -29.9 | 36.6 | 0 | 0 | 0 | 114.6 | R235 | P89-R235 VanDerWaalsContact CA-NH1 3.28Š|
| 90 | E | 69.7 | Low | 80.6 | Confident | 169 Ų | 169 | 83.4 Ų | 83.4 | 79% | 0.79 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -78.2 | -29.6 | -177.4 | -64.2 | 156.7 | -171 | 0 | 0 | 113 | R88 | R88-E90 PolarHBondContact O-N 2.97Š|
| 91 | V | 77.9 | Confident | 80.7 | Confident | 107 Ų | 107 | 78.8 Ų | 78.8 | 65% | 0.648 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -138.6 | 77.4 | -176.3 | -170.1 | 0 | 0 | 0 | 0 | 107.7 | R88 | R88-V91 PolarHBondContact N-O 3.44Å; R88-V91 CarbonylContact O-C 3.59Å; R88-V91 PolarHBondContact O-N 3.26Å; R88-V91 VanDerWaalsContact O-N 3.15Å |
| 92 | P | 76.4 | Confident | 80.8 | Confident | 67 Ų | 67 | 75.6 Ų | 75.6 | 44% | 0.435 | 41% | 0.409 | S | S | . | . | B | Isolated β-bridge | trans | -65.4 | 151.6 | 175.6 | 28.6 | -34.1 | 0 | 0 | 0 | 109.8 | S94 | P92-S94 PolarHBondContact O-N 3.45Å |
| 93 | H | 79.4 | Confident | 81 | Confident | 61 Ų | 61 | 73.5 Ų | 73.5 | 28% | 0.282 | 40% | 0.4 | S | S | . | . | trans | -58 | 128.2 | 173.9 | -174.7 | 69.6 | 0 | 0 | 0 | 110.8 | L83 L86 L95 | L83-H93 VanDerWaalsContact CD2-CE1 3.43Å; L83-H93 WeakPolarHBondContact CD2-CE1 3.41Å; L83-H93 VanDerWaalsContact CD2-ND1 3.35Å; L83-H93 WeakPolarHBondContact CD2-ND1 3.4Å; L86-H93 PolarHBondContact O-N 3.32Å; L86-H93 VanDerWaalsContact O-N 3.14Å; H93-L95 PolarHBondContact O-N 3.01Å | ||
| 94 | S | 76.8 | Confident | 81.2 | Confident | 92 Ų | 92 | 72.3 Ų | 72.3 | 64% | 0.643 | 39% | 0.393 | S | S | * | . | trans | -83.7 | 109 | -178.2 | 58.6 | 0 | 0 | 0 | 0 | 110.6 | P92 I96 | P92-S94 PolarHBondContact O-N 3.45Å; S94-I96 PolarHBondContact O-N 3.4Å | ||
| 95 | L | 81.2 | Confident | 81.7 | Confident | 54 Ų | 54 | 62.8 Ų | 62.8 | 28% | 0.283 | 35% | 0.349 | S | S | . | . | trans | -67 | 119 | 172.5 | -62.8 | 163.4 | 0 | 0 | 0 | 109.6 | H93 T97 G98 P100 E102 L103 | H93-L95 PolarHBondContact O-N 3.01Å; L95-T97 VanDerWaalsContact C-N 3.31Å; L95-T97 PolarHBondContact O-N 2.84Å; L95-G98 PolarHBondContact O-N 3.5Å; L95-P100 HydrophobicContact CD1-CG 4.18Å; L95-E102 HydrophobicContact CD2-CB 4.11Å; L95-E102 HydrophobicContact CD2-CG 4.48Å; L95-L103 HydrophobicContact CD2-CD1 4.1Å; L95-L103 HydrophobicContact CD2-CD2 4.06Å; L95-L103 HydrophobicContact CD2-CG 3.82Å | ||
| 96 | I | 79.1 | Confident | 82.2 | Confident | 118 Ų | 118 | 58.8 Ų | 58.8 | 61% | 0.605 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -66.1 | -40.8 | -178.4 | -62.7 | 174.2 | 0 | 0 | 0 | 110 | S94 G98 E102 | S94-I96 PolarHBondContact O-N 3.4Å; I96-G98 VanDerWaalsContact C-N 3.32Å; I96-E102 PolarHBondContact N-OE2 2.65Å |
| 97 | T | 76.2 | Confident | 82.7 | Confident | 57 Ų | 57 | 57.6 Ų | 57.6 | 35% | 0.35 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -79.3 | -18.4 | -179.4 | 61.8 | 0 | 0 | 0 | 0 | 112.9 | L63 L95 D99 E102 | L63-T97 HydrophobicContact CD1-CG2 4.19Å; L63-T97 HydrophobicContact CD2-CG2 3.96Å; L63-T97 HydrophobicContact CG-CG2 4.09Å; L95-T97 VanDerWaalsContact C-N 3.31Å; L95-T97 PolarHBondContact O-N 2.84Å; T97-D99 PolarHBondContact O-N 2.9Å; T97-D99 PolarHBondContact OG1-N 3.48Å; T97-D99 PolarHBondContact OG1-O 3.43Å; T97-E102 WeakPolarHBondContact CB-OE2 3.35Å; T97-E102 WeakPolarHBondContact CG2-OE2 3.41Å; T97-E102 PolarHBondContact N-OE2 2.7Å; T97-E102 PolarHBondContact OG1-OE2 3.29Å |
| 98 | G | 78.7 | Confident | 83.4 | Confident | 59 Ų | 59 | 57.3 Ų | 57.3 | 61% | 0.608 | 32% | 0.315 | S | S | * | . | S | Bend | trans | 72.8 | -0.6 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L95 I96 | L95-G98 PolarHBondContact O-N 3.5Å; I96-G98 VanDerWaalsContact C-N 3.32Å |
| 99 | D | 82.8 | Confident | 84.2 | Confident | 13 Ų | 13 | 48.9 Ų | 48.9 | 7% | 0.07 | 28% | 0.283 | C | S | . | . | trans | -104 | 123.7 | 176.7 | -169.6 | -22.2 | 0 | 0 | 0 | 109.9 | L63 T97 R101 E102 N224 | L63-D99 HydrophobicContact CD1-CB 4.36Å; L63-D99 HydrophobicContact CD2-CB 4.04Å; T97-D99 PolarHBondContact O-N 2.9Å; T97-D99 PolarHBondContact OG1-N 3.48Å; T97-D99 PolarHBondContact OG1-O 3.43Å; D99-R101 PolarHBondContact O-N 2.84Å; D99-R101 WeakPolarHBondContact OD1-CB 3.49Å; D99-R101 WeakPolarHBondContact OD1-CG 3.35Å; D99-R101 PolarHBondContact OD1-N 3.23Å; D99-E102 VanDerWaalsContact O-CB 3.28Å; D99-E102 WeakPolarHBondContact O-CB 2.88Å; D99-E102 PolarHBondContact O-N 2.97Å; D99-N224 PolarHBondContact OD2-ND2 2.91Å; D99-N224 PolarHBondContact OD2-OD1 3.4Å | ||
| 100 | P | 85.4 | Confident | 85.4 | Confident | 44 Ų | 44 | 46 Ų | 46 | 29% | 0.286 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -55.8 | -17.8 | 174 | -28.5 | 37.5 | 0 | 0 | 0 | 115.2 | L95 E102 L103 | L95-P100 HydrophobicContact CD1-CG 4.18Å; P100-E102 PolarHBondContact O-N 3.15Å; P100-E102 VanDerWaalsContact O-N 3.15Å; P100-L103 PolarHBondContact O-N 3.43Å |
| 101 | R | 87.2 | Confident | 86.3 | Confident | 75 Ų | 75 | 40.1 Ų | 40.1 | 28% | 0.283 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -60.9 | -16.1 | 171.8 | -71.3 | -179.5 | 171.3 | -165.5 | -4.2 | 114.2 | L63 D99 L103 E154 P221 | L63-R101 HydrophobicContact CD2-CB 4.18Å; D99-R101 PolarHBondContact O-N 2.84Å; D99-R101 WeakPolarHBondContact OD1-CB 3.49Å; D99-R101 WeakPolarHBondContact OD1-CG 3.35Å; D99-R101 PolarHBondContact OD1-N 3.23Å; R101-L103 PolarHBondContact O-N 2.79Å; R101-E154 IonicContact CZ-OE1 3.53Å; R101-E154 IonicContact NE-OE1 3.87Å; R101-E154 PolarHBondContact NE-OE1 3.18Å; R101-E154 IonicContact NE-OE2 3.71Å; R101-E154 IonicContact NH2-OE1 2.71Å; R101-E154 PolarHBondContact NH2-OE1 3.22Å; R101-P221 HydrophobicContact CG-CB 4.1Å |
| 102 | E | 90.5 | Very high | 86.7 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -60.9 | -23.2 | 171.1 | -180 | 169.6 | -177.8 | 0 | 0 | 112 | V59 D60 L63 L95 I96 T97 D99 P100 | V59-E102 CarbonylContact C-O 3.45Å; V59-E102 WeakPolarHBondContact CA-O 3.24Å; V59-E102 HydrophobicContact CG1-CG 3.73Å; D60-E102 PolarHBondContact N-O 2.87Å; L63-E102 HydrophobicContact CD2-CB 3.94Å; L95-E102 HydrophobicContact CD2-CB 4.11Å; L95-E102 HydrophobicContact CD2-CG 4.48Å; I96-E102 PolarHBondContact N-OE2 2.65Å; T97-E102 WeakPolarHBondContact CB-OE2 3.35Å; T97-E102 WeakPolarHBondContact CG2-OE2 3.41Å; T97-E102 PolarHBondContact N-OE2 2.7Å; T97-E102 PolarHBondContact OG1-OE2 3.29Å; D99-E102 VanDerWaalsContact O-CB 3.28Å; D99-E102 WeakPolarHBondContact O-CB 2.88Å; D99-E102 PolarHBondContact O-N 2.97Å; P100-E102 PolarHBondContact O-N 3.15Å; P100-E102 VanDerWaalsContact O-N 3.15Å |
| 103 | L | 92.3 | Very high | 87.1 | Confident | 21 Ų | 21 | 43 Ų | 43 | 11% | 0.11 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 126.5 | 177.2 | -53.1 | 178.9 | 0 | 0 | 0 | 110.9 | I57 L83 L86 L95 P100 R101 F105 | I57-L103 HydrophobicContact CG2-CB 4.44Å; I57-L103 HydrophobicContact CG2-CD2 4.26Å; L83-L103 HydrophobicContact CD1-CD2 3.81Å; L86-L103 HydrophobicContact CD2-CD1 3.57Å; L95-L103 HydrophobicContact CD2-CD1 4.1Å; L95-L103 HydrophobicContact CD2-CD2 4.06Å; L95-L103 HydrophobicContact CD2-CG 3.82Å; P100-L103 PolarHBondContact O-N 3.43Å; R101-L103 PolarHBondContact O-N 2.79Å; L103-F105 HydrophobicContact CB-CE2 4.48Å |
| 104 | V | 94.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 114.9 | 175.2 | -170.3 | 0 | 0 | 0 | 0 | 108.9 | C58 D60 F70 V106 N217 R219 | C58-V104 HydrophobicContact CB-CB 4.43Å; C58-V104 PolarHBondContact N-O 2.98Å; C58-V104 PolarHBondContact O-N 2.74Å; D60-V104 HydrophobicContact CB-CG2 3.72Å; F70-V104 HydrophobicContact CB-CG1 4.33Å; F70-V104 HydrophobicContact CD2-CB 4.23Å; F70-V104 HydrophobicContact CD2-CG1 3.98Å; F70-V104 HydrophobicContact CD2-CG2 3.98Å; F70-V104 HydrophobicContact CE2-CG2 3.97Å; F70-V104 HydrophobicContact CG-CB 4.36Å; F70-V104 HydrophobicContact CG-CG1 4.26Å; F70-V104 HydrophobicContact CG-CG2 4.47Å; F70-V104 HydrophobicContact CZ-CG2 4.43Å; V104-V106 HydrophobicContact CG1-CG2 4.04Å; V104-N217 HydrophobicContact CG1-CB 3.93Å; V104-R219 HydrophobicContact CG1-CG 4.39Å; V104-R219 HydrophobicContact CG2-CG 4.02Å |
| 105 | F | 95.5 | Very high | 87.2 | Confident | 5 Ų | 5 | 50.5 Ų | 50.5 | 2% | 0.022 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 124.1 | 173.1 | -62.4 | -93 | 0 | 0 | 0 | 108.9 | M55 R56 I57 L86 L103 N217 I218 I220 L236 L239 | M55-F105 HydrophobicContact CB-CB 4.09Å; M55-F105 HydrophobicContact CB-CD1 4.44Å; M55-F105 VanDerWaalsContact CE-C 3.42Å; M55-F105 HydrophobicContact CE-CB 3.6Å; M55-F105 WeakPolarHBondContact CE-O 3.45Å; M55-F105 HydrophobicContact SD-CB 3.88Å; R56-F105 CarbonylContact O-C 3.5Å; R56-F105 WeakPolarHBondContact O-CA 3.3Å; I57-F105 HydrophobicContact CD1-CD1 4.41Å; I57-F105 HydrophobicContact CD1-CE1 3.82Å; I57-F105 HydrophobicContact CG1-CD1 3.8Å; I57-F105 HydrophobicContact CG1-CE1 3.7Å; L86-F105 HydrophobicContact CD1-CZ 4.31Å; L103-F105 HydrophobicContact CB-CE2 4.48Å; F105-N217 CarbonylContact O-C 3.59Å; F105-N217 WeakPolarHBondContact O-CA 3.22Å; F105-I218 HydrophobicContact CB-CB 4.34Å; F105-I218 PolarHBondContact N-O 3.4Å; F105-I218 PolarHBondContact O-N 3.21Å; F105-I220 HydrophobicContact CD2-CD1 4.45Å; F105-I220 HydrophobicContact CD2-CG1 4.5Å; F105-I220 HydrophobicContact CE2-CD1 3.98Å; F105-I220 HydrophobicContact CE2-CG1 4.26Å; F105-L236 HydrophobicContact CE1-CD2 4.32Å; F105-L236 HydrophobicContact CE2-CD2 4.14Å; F105-L236 HydrophobicContact CZ-CD2 3.59Å; F105-L239 HydrophobicContact CB-CD1 3.89Å; F105-L239 HydrophobicContact CD1-CB 4.17Å; F105-L239 HydrophobicContact CD1-CD1 3.59Å; F105-L239 HydrophobicContact CD1-CG 3.93Å; F105-L239 HydrophobicContact CD2-CD1 3.66Å; F105-L239 HydrophobicContact CE1-CD1 3.98Å; F105-L239 HydrophobicContact CE1-CG 4.05Å; F105-L239 HydrophobicContact CE2-CD1 4.05Å; F105-L239 HydrophobicContact CG-CD1 3.43Å; F105-L239 VanDerWaalsContact CG-CD1 3.43Å; F105-L239 HydrophobicContact CG-CG 4.29Å; F105-L239 HydrophobicContact CZ-CD1 4.2Å |
| 106 | V | 95.4 | Very high | 87.4 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 123.7 | -171.7 | -178.3 | 0 | 0 | 0 | 0 | 110.2 | M55 R56 C58 F70 V72 V104 L215 L216 | M55-V106 WeakPolarHBondContact CA-O 3.36Å; R56-V106 PolarHBondContact N-O 2.95Å; R56-V106 PolarHBondContact O-N 3.49Å; C58-V106 HydrophobicContact CB-CG2 4.24Å; F70-V106 HydrophobicContact CB-CG2 3.61Å; F70-V106 WeakPolarHBondContact O-CG1 3.34Å; V72-V106 HydrophobicContact CG2-CG1 4.23Å; V104-V106 HydrophobicContact CG1-CG2 4.04Å; V106-L215 HydrophobicContact CG1-CD1 3.65Å; V106-L216 WeakPolarHBondContact CA-O 3.38Å |
| 107 | A | 95.1 | Very high | 87.7 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 2% | 0.017 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 116.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | M55 L216 I241 | M55-A107 HydrophobicContact CE-CB 4.08Å; M55-A107 HydrophobicContact CG-CB 4.25Å; A107-L216 HydrophobicContact CB-CB 4.32Å; A107-L216 PolarHBondContact N-O 3.2Å; A107-L216 PolarHBondContact O-N 2.87Å; A107-I241 HydrophobicContact CB-CD1 4.02Å |
| 108 | Q | 93.3 | Very high | 88.3 | Confident | 13 Ų | 13 | 50.3 Ų | 50.3 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 111.5 | 175.8 | -173.9 | 175 | -1.8 | 0 | 0 | 109.3 | R73 W169 L215 | R73-Q108 PolarHBondContact NH2-O 3.4Å; R73-Q108 PolarHBondContact O-NE2 3.46Å; R73-Q108 VanDerWaalsContact O-NE2 3.16Å; Q108-W169 HydrophobicContact CG-CH2 4.22Å; Q108-W169 HydrophobicContact CG-CZ2 4.23Å; Q108-L215 HydrophobicContact CB-CD1 4.06Å; Q108-L215 HydrophobicContact CG-CD1 4.37Å |
| 109 | M | 93.3 | Very high | 89 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 136.1 | -171.6 | -59 | 178.4 | -81.7 | 0 | 0 | 111 | F53 Y120 F204 F213 Y214 L216 E243 | F53-M109 HydrophobicContact CD1-CG 3.95Å; F53-M109 HydrophobicContact CD2-CG 4.17Å; F53-M109 HydrophobicContact CD2-SD 4.45Å; F53-M109 HydrophobicContact CE1-CB 4.02Å; F53-M109 HydrophobicContact CE1-CG 3.69Å; F53-M109 HydrophobicContact CE2-CG 3.93Å; F53-M109 HydrophobicContact CE2-SD 4.31Å; F53-M109 HydrophobicContact CG-CG 4.19Å; F53-M109 HydrophobicContact CZ-CB 3.94Å; F53-M109 HydrophobicContact CZ-CG 3.7Å; M109-Y120 HydrophobicContact CB-CE2 3.69Å; M109-F204 HydrophobicContact CE-CE1 4.31Å; M109-F204 HydrophobicContact CE-CZ 4.11Å; M109-F204 HydrophobicContact SD-CZ 4.49Å; M109-F213 WeakPolarHBondContact O-CA 3.42Å; M109-Y214 PolarHBondContact N-O 3.48Å; M109-Y214 PolarHBondContact O-N 3.02Å; M109-Y214 VanDerWaalsContact O-O 3.13Å; M109-L216 HydrophobicContact CE-CB 4.06Å; M109-L216 HydrophobicContact CE-CD2 4.43Å; M109-E243 HydrophobicContact SD-CB 4.32Å; M109-E243 HydrophobicContact SD-CG 4.25Å |
| 110 | P | 93.3 | Very high | 89.5 | Confident | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.019 | 26% | 0.256 | C | S | . | . | S | Bend | cis | -84 | 165.6 | -1.8 | 35.6 | -35.7 | 0 | 0 | 0 | 112.9 | M51 R73 Q117 L118 Y120 | M51-P110 HydrophobicContact CE-CB 4.37Å; M51-P110 HydrophobicContact SD-CB 4.33Å; R73-P110 PolarHBondContact NH2-O 2.93Å; P110-Q117 PolarHBondContact O-NE2 3.49Å; P110-L118 HydrophobicContact CB-CB 4.1Å; P110-L118 HydrophobicContact CG-CB 3.74Å; P110-L118 WeakPolarHBondContact CG-O 3.12Å; P110-Y120 HydrophobicContact CB-CD2 4.45Å; P110-Y120 HydrophobicContact CB-CE1 4.27Å; P110-Y120 HydrophobicContact CB-CE2 3.95Å; P110-Y120 HydrophobicContact CG-CD2 4.25Å; P110-Y120 HydrophobicContact CG-CE2 4.19Å |
| 111 | N | 87.9 | Confident | 89.9 | Confident | 47 Ų | 47 | 50.9 Ų | 50.9 | 25% | 0.251 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 143.9 | 175.8 | -86 | -20.8 | 0 | 0 | 0 | 110.1 | M51 N52 F53 L118 | M51-N111 HydrophobicContact CE-CB 3.93Å; N52-N111 PolarHBondContact O-ND2 3.39Å; F53-N111 HydrophobicContact CD1-CB 4.41Å; F53-N111 VanDerWaalsContact CD1-CG 3.41Å; F53-N111 VanDerWaalsContact CD1-ND2 3.28Å; F53-N111 WeakPolarHBondContact CD1-ND2 3.2Å; F53-N111 WeakPolarHBondContact CD1-OD1 3.37Å; F53-N111 HydrophobicContact CE1-CB 3.86Å; F53-N111 VanDerWaalsContact CE1-N 3.31Å; F53-N111 WeakPolarHBondContact CE1-OD1 3.41Å; N111-L118 WeakPolarHBondContact O-CD1 3.44Å; N111-L118 WeakPolarHBondContact O-CG 3.36Å |
| 112 | P | 87.2 | Confident | 90.2 | Very high | 58 Ų | 58 | 51.6 Ų | 51.6 | 38% | 0.377 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 148.6 | 169.8 | 30.2 | -34.2 | 0 | 0 | 0 | 110 | V116 | P112-V116 WeakPolarHBondContact CA-O 3.36Š|
| 113 | R | 83.9 | Confident | 90.3 | Very high | 175 Ų | 175 | 55.1 Ų | 55.1 | 66% | 0.66 | 27% | 0.273 | S | S | * | . | B | Isolated β-bridge | trans | -135.1 | 130.5 | 176.2 | -178 | 177.5 | 178.8 | 166.1 | 5.9 | 108.7 | D115 V116 L118 | R113-D115 VanDerWaalsContact C-N 3.3Å; R113-D115 PolarHBondContact O-N 3.37Å; R113-V116 PolarHBondContact N-O 3.48Å; R113-V116 WeakPolarHBondContact O-CB 3.41Å; R113-V116 PolarHBondContact O-N 2.87Å; R113-L118 HydrophobicContact CB-CD1 3.96Å; R113-L118 HydrophobicContact CB-CG 4.27Å |
| 114 | D | 82.1 | Confident | 90.3 | Very high | 136 Ų | 136 | 56 Ų | 56 | 73% | 0.727 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 46.7 | 178 | -53.5 | -40.5 | 0 | 0 | 0 | 112.9 | V116 | D114-V116 PolarHBondContact O-N 3.18Š|
| 115 | D | 77.8 | Confident | 90.2 | Very high | 176 Ų | 176 | 56.9 Ų | 56.9 | 94% | 0.941 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 10.1 | -175.2 | -62.8 | -40 | 0 | 0 | 0 | 115.9 | R113 | R113-D115 VanDerWaalsContact C-N 3.3Å; R113-D115 PolarHBondContact O-N 3.37Å |
| 116 | V | 85.4 | Confident | 90 | Very high | 90 Ų | 90 | 58 Ų | 58 | 55% | 0.545 | 29% | 0.289 | S | S | . | . | B | Isolated β-bridge | trans | -100.6 | 123.6 | 173.3 | -176.2 | 0 | 0 | 0 | 0 | 109.6 | P112 R113 D114 L118 | P112-V116 WeakPolarHBondContact CA-O 3.36Å; R113-V116 PolarHBondContact N-O 3.48Å; R113-V116 WeakPolarHBondContact O-CB 3.41Å; R113-V116 PolarHBondContact O-N 2.87Å; D114-V116 PolarHBondContact O-N 3.18Å; V116-L118 PolarHBondContact O-N 3.34Å; V116-L118 VanDerWaalsContact O-N 3.14Å |
| 117 | Q | 83.9 | Confident | 89.8 | Confident | 76 Ų | 76 | 57.9 Ų | 57.9 | 36% | 0.355 | 29% | 0.288 | S | S | . | . | trans | -69.6 | 109.9 | 170 | -179.1 | 57.9 | 46.8 | 0 | 0 | 108.8 | P110 F213 | P110-Q117 PolarHBondContact O-NE2 3.49Å; Q117-F213 HydrophobicContact CG-CE1 3.87Å; Q117-F213 HydrophobicContact CG-CZ 4.38Å | ||
| 118 | L | 90.1 | Very high | 89.7 | Confident | 59 Ų | 59 | 60.1 Ų | 60.1 | 31% | 0.309 | 30% | 0.3 | S | S | . | . | trans | -69.8 | 156.7 | 173.6 | -60.1 | -176.8 | 0 | 0 | 0 | 110.1 | M51 P110 N111 R113 V116 F213 | M51-L118 HydrophobicContact CE-CD1 4.22Å; P110-L118 HydrophobicContact CB-CB 4.1Å; P110-L118 HydrophobicContact CG-CB 3.74Å; P110-L118 WeakPolarHBondContact CG-O 3.12Å; N111-L118 WeakPolarHBondContact O-CD1 3.44Å; N111-L118 WeakPolarHBondContact O-CG 3.36Å; R113-L118 HydrophobicContact CB-CD1 3.96Å; R113-L118 HydrophobicContact CB-CG 4.27Å; V116-L118 PolarHBondContact O-N 3.34Å; V116-L118 VanDerWaalsContact O-N 3.14Å; L118-F213 WeakPolarHBondContact O-CE1 3.09Å | ||
| 119 | E | 92.4 | Very high | 89.7 | Confident | 75 Ų | 75 | 59.5 Ų | 59.5 | 35% | 0.35 | 30% | 0.297 | S | S | . | . | trans | -135.9 | 140.3 | 175.8 | -55.9 | -169.7 | 161.1 | 0 | 0 | 109.6 | R162 P212 F213 | E119-R162 IonicContact OE1-NE 3.93Å; E119-R162 IonicContact OE2-CZ 3.17Å; E119-R162 IonicContact OE2-NE 2.64Å; E119-R162 PolarHBondContact OE2-NE 2.94Å; E119-R162 IonicContact OE2-NH2 3.19Å; E119-R162 PolarHBondContact OE2-NH2 3.23Å; E119-P212 HydrophobicContact CB-CB 4.05Å; E119-F213 HydrophobicContact CB-CE1 4.48Å; E119-F213 HydrophobicContact CB-CZ 4.49Å; E119-F213 HydrophobicContact CG-CE1 3.83Å; E119-F213 HydrophobicContact CG-CE2 4.49Å; E119-F213 HydrophobicContact CG-CZ 3.58Å; E119-F213 WeakPolarHBondContact OE1-CZ 3.31Å | ||
| 120 | Y | 93.6 | Very high | 89.7 | Confident | 7 Ų | 7 | 61 Ų | 61 | 3% | 0.027 | 30% | 0.304 | C | S | . | . | trans | -69.3 | 150.9 | 168.3 | -68.8 | -64.6 | 0 | 0 | 0 | 111.3 | M109 P110 F124 L127 P212 Y214 E243 | M109-Y120 HydrophobicContact CB-CE2 3.69Å; P110-Y120 HydrophobicContact CB-CD2 4.45Å; P110-Y120 HydrophobicContact CB-CE1 4.27Å; P110-Y120 HydrophobicContact CB-CE2 3.95Å; P110-Y120 HydrophobicContact CG-CD2 4.25Å; P110-Y120 HydrophobicContact CG-CE2 4.19Å; Y120-F124 AromaticContact CD1-CD2 3.61Å; Y120-F124 HydrophobicContact CD1-CD2 3.61Å; Y120-F124 AromaticContact CD1-CE2 3.65Å; Y120-F124 HydrophobicContact CD1-CE2 3.65Å; Y120-F124 HydrophobicContact CG-CD2 4.39Å; Y120-F124 HydrophobicContact CG-CE2 4.49Å; Y120-L127 HydrophobicContact CD1-CD1 4.48Å; Y120-L127 HydrophobicContact CE1-CD1 3.98Å; Y120-P212 PolarHBondContact N-O 2.95Å; Y120-P212 WeakPolarHBondContact O-CA 3.47Å; Y120-Y214 AromaticContact CD2-CD2 3.67Å; Y120-Y214 HydrophobicContact CD2-CD2 3.67Å; Y120-Y214 HydrophobicContact CD2-CE2 4.01Å; Y120-Y214 AromaticContact CE2-CD2 3.96Å; Y120-Y214 HydrophobicContact CE2-CD2 3.96Å; Y120-E243 WeakPolarHBondContact CE1-OE2 3.46Å; Y120-E243 VanDerWaalsContact OH-CD 3.27Å; Y120-E243 PolarHBondContact OH-OE2 2.95Å | ||
| 121 | S | 93 | Very high | 89.8 | Confident | 46 Ų | 46 | 60.8 Ų | 60.8 | 32% | 0.322 | 30% | 0.303 | S | S | . | . | trans | -124.3 | 149.6 | 177.4 | -167.1 | 0 | 0 | 0 | 0 | 110.5 | W123 F124 | S121-W123 PolarHBondContact O-N 3.01Å; S121-F124 WeakPolarHBondContact O-CB 3.39Å; S121-F124 WeakPolarHBondContact O-CG 3.47Å; S121-F124 PolarHBondContact O-N 3.39Å | ||
| 122 | R | 93.3 | Very high | 90 | Very high | 90 Ų | 90 | 60.7 Ų | 60.7 | 34% | 0.34 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -59.9 | -18 | 174.1 | -64 | -177.4 | 176.1 | -168.8 | -4.3 | 113.5 | F124 Q125 C209 D210 L309 W310 | R122-F124 PolarHBondContact O-N 3.18Å; R122-Q125 PolarHBondContact O-N 3.06Å; R122-C209 WeakPolarHBondContact CA-O 3.22Å; R122-C209 WeakPolarHBondContact CG-O 3.24Å; R122-D210 PolarHBondContact NE-O 3.46Å; R122-L309 HydrophobicContact CB-CD2 3.99Å; R122-L309 WeakPolarHBondContact CD-O 3.44Å; R122-L309 PolarHBondContact NH1-O 2.96Å; R122-W310 PolarHBondContact NH1-O 3.18Å |
| 123 | W | 93.7 | Very high | 90.2 | Very high | 75 Ų | 75 | 58.4 Ų | 58.4 | 28% | 0.284 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -61.5 | -18.8 | 170.6 | -71.2 | 104.7 | 0 | 0 | 0 | 114.1 | S121 Q125 T251 K252 L255 W306 L309 | S121-W123 PolarHBondContact O-N 3.01Å; W123-Q125 VanDerWaalsContact C-N 3.3Å; W123-T251 HydrophobicContact CE3-CG2 3.99Å; W123-T251 WeakPolarHBondContact O-CB 3.2Å; W123-T251 WeakPolarHBondContact O-CG2 3.5Å; W123-T251 PolarHBondContact O-OG1 3.34Å; W123-K252 HydrophobicContact CE3-CB 4.34Å; W123-K252 HydrophobicContact CH2-CG 4.4Å; W123-K252 HydrophobicContact CZ3-CB 4Å; W123-K252 HydrophobicContact CZ3-CG 4.28Å; W123-L255 HydrophobicContact CZ3-CD1 4.02Å; W123-W306 AromaticContact CH2-CH2 3.76Å; W123-W306 HydrophobicContact CH2-CH2 3.76Å; W123-W306 AromaticContact CH2-CZ3 3.52Å; W123-W306 HydrophobicContact CH2-CZ3 3.52Å; W123-W306 HydrophobicContact CZ2-CZ3 4.34Å; W123-W306 HydrophobicContact CZ3-CH2 4.34Å; W123-W306 HydrophobicContact CZ3-CZ3 4.22Å; W123-L309 HydrophobicContact CD2-CD1 4.31Å; W123-L309 HydrophobicContact CD2-CD2 4Å; W123-L309 HydrophobicContact CE3-CD1 4.28Å; W123-L309 HydrophobicContact CE3-CD2 4.22Å; W123-L309 HydrophobicContact CG-CD2 4.27Å; W123-L309 HydrophobicContact CH2-CD1 3.66Å; W123-L309 HydrophobicContact CZ2-CD1 3.66Å; W123-L309 HydrophobicContact CZ3-CD1 3.97Å |
| 124 | F | 92.6 | Very high | 90.5 | Very high | 38 Ų | 38 | 53.1 Ų | 53.1 | 17% | 0.167 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -78 | -14.6 | 178.6 | -62.3 | -25.2 | 0 | 0 | 0 | 114.2 | Y120 S121 R122 S126 C209 H245 Q246 | Y120-F124 AromaticContact CD1-CD2 3.61Å; Y120-F124 HydrophobicContact CD1-CD2 3.61Å; Y120-F124 AromaticContact CD1-CE2 3.65Å; Y120-F124 HydrophobicContact CD1-CE2 3.65Å; Y120-F124 HydrophobicContact CG-CD2 4.39Å; Y120-F124 HydrophobicContact CG-CE2 4.49Å; S121-F124 WeakPolarHBondContact O-CB 3.39Å; S121-F124 WeakPolarHBondContact O-CG 3.47Å; S121-F124 PolarHBondContact O-N 3.39Å; R122-F124 PolarHBondContact O-N 3.18Å; F124-S126 PolarHBondContact O-N 2.93Å; F124-C209 HydrophobicContact CB-CB 4.25Å; F124-H245 HydrophobicContact CB-CB 4.16Å; F124-H245 AromaticContact CD1-CD2 3.83Å; F124-H245 AromaticContact CE1-CD2 3.98Å; F124-H245 HydrophobicContact CG-CB 4.43Å; F124-H245 AromaticContact CG-CD2 3.85Å; F124-Q246 VanDerWaalsContact CA-O 3.26Å; F124-Q246 WeakPolarHBondContact CA-O 3.46Å; F124-Q246 WeakPolarHBondContact CD1-O 3.29Å; F124-Q246 WeakPolarHBondContact O-CB 3.38Å; F124-Q246 PolarHBondContact O-N 3.43Å |
| 125 | Q | 90.5 | Very high | 90.8 | Very high | 20 Ų | 20 | 46.7 Ų | 46.7 | 9% | 0.093 | 24% | 0.236 | C | C | . | . | trans | 59.1 | -49.9 | 173.6 | -58.1 | -168.6 | -44.4 | 0 | 0 | 116.5 | R122 W123 G207 S208 C209 T251 | R122-Q125 PolarHBondContact O-N 3.06Å; W123-Q125 VanDerWaalsContact C-N 3.3Å; Q125-G207 CarbonylContact O-C 3.59Å; Q125-S208 CarbonylContact O-C 3.53Å; Q125-S208 WeakPolarHBondContact O-CA 2.96Å; Q125-S208 PolarHBondContact O-N 3.31Å; Q125-C209 PolarHBondContact O-N 3.03Å; Q125-C209 VanDerWaalsContact O-N 3.13Å; Q125-T251 HydrophobicContact CG-CG2 3.79Å; Q125-T251 VanDerWaalsContact NE2-CG2 3.34Å | ||
| 126 | S | 91.6 | Very high | 91.3 | Very high | 29 Ų | 29 | 39.5 Ų | 39.5 | 20% | 0.203 | 20% | 0.196 | C | C | . | . | trans | -135.9 | 156.2 | 179.6 | 58.7 | 0 | 0 | 0 | 0 | 111.3 | F124 L206 | F124-S126 PolarHBondContact O-N 2.93Å; S126-L206 VanDerWaalsContact CA-O 3.24Å; S126-L206 WeakPolarHBondContact CA-O 3.49Å; S126-L206 WeakPolarHBondContact CB-O 3.5Å | ||
| 127 | L | 92.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 119.7 | 177.8 | -164 | 76.2 | 0 | 0 | 0 | 109.3 | Y120 F204 L206 Y214 E243 H245 | Y120-L127 HydrophobicContact CD1-CD1 4.48Å; Y120-L127 HydrophobicContact CE1-CD1 3.98Å; L127-F204 HydrophobicContact CB-CE2 4.44Å; L127-F204 HydrophobicContact CD2-CE2 3.87Å; L127-F204 HydrophobicContact CD2-CZ 4.18Å; L127-F204 HydrophobicContact CG-CE2 4.02Å; L127-F204 HydrophobicContact CG-CZ 4.49Å; L127-L206 HydrophobicContact CB-CB 4.1Å; L127-L206 HydrophobicContact CB-CD1 4.21Å; L127-L206 HydrophobicContact CB-CG 4.49Å; L127-L206 HydrophobicContact CD2-CD1 4.02Å; L127-L206 PolarHBondContact N-O 3.49Å; L127-L206 PolarHBondContact O-N 3.25Å; L127-Y214 HydrophobicContact CD2-CD2 4.14Å; L127-Y214 HydrophobicContact CD2-CE2 4.26Å; L127-E243 HydrophobicContact CD1-CG 3.51Å; L127-E243 WeakPolarHBondContact CD1-OE1 3.24Å; L127-E243 HydrophobicContact CD2-CG 4.49Å; L127-E243 HydrophobicContact CG-CG 3.97Å; L127-H245 HydrophobicContact CD1-CB 4.05Å |
| 128 | L | 92.6 | Very high | 91.3 | Very high | 49 Ų | 49 | 35 Ų | 35 | 26% | 0.257 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 132.8 | 176.8 | 175.5 | 71.7 | 0 | 0 | 0 | 109 | L130 E205 E243 I244 | L128-L130 HydrophobicContact CD2-CD2 4.39Å; L128-L130 HydrophobicContact CG-CD2 4.38Å; L128-E205 HydrophobicContact CD1-CB 3.99Å; L128-E205 HydrophobicContact CD1-CG 4.17Å; L128-E243 CarbonylContact O-C 3.55Å; L128-E243 VanDerWaalsContact O-CA 3.32Å; L128-E243 WeakPolarHBondContact O-CA 3.46Å; L128-I244 HydrophobicContact CB-CB 4.3Å; L128-I244 HydrophobicContact CD2-CD1 4.26Å; L128-I244 PolarHBondContact N-O 2.93Å; L128-I244 PolarHBondContact O-N 3.42Å |
| 129 | G | 92.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 123.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L203 F204 | G129-L203 WeakPolarHBondContact O-CA 3.49Å; G129-L203 WeakPolarHBondContact O-CB 3.3Å; G129-L203 PolarHBondContact O-N 3Å; G129-F204 PolarHBondContact N-O 3.38Å; G129-F204 PolarHBondContact O-N 3.41Å |
| 130 | L | 93.7 | Very high | 90.3 | Very high | 31 Ų | 31 | 38.4 Ų | 38.4 | 16% | 0.162 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 126.6 | 172.1 | -56.2 | 179.1 | 0 | 0 | 0 | 109.3 | L128 I201 E202 I241 I242 I244 | L128-L130 HydrophobicContact CD2-CD2 4.39Å; L128-L130 HydrophobicContact CG-CD2 4.38Å; L130-I201 CarbonylContact C-O 3.47Å; L130-I201 WeakPolarHBondContact CA-O 3.48Å; L130-E202 HydrophobicContact CD2-CB 4.45Å; L130-E202 HydrophobicContact CD2-CG 3.87Å; L130-I241 CarbonylContact O-C 3.5Å; L130-I241 VanDerWaalsContact O-CA 3.32Å; L130-I241 WeakPolarHBondContact O-CA 3.48Å; L130-I242 HydrophobicContact CB-CB 4.37Å; L130-I242 PolarHBondContact N-O 3.4Å; L130-I242 PolarHBondContact O-N 3.4Å; L130-I244 HydrophobicContact CD1-CD1 3.92Å |
| 131 | L | 94.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 121.6 | 175.1 | -178 | 70.1 | 0 | 0 | 0 | 109.9 | M55 I133 L153 I201 L203 I218 L239 I241 | M55-L131 HydrophobicContact SD-CD1 4.22Å; L131-I133 HydrophobicContact CD2-CD1 3.92Å; L131-I133 HydrophobicContact CD2-CG1 4.07Å; L131-I133 HydrophobicContact CG-CD1 4.36Å; L131-I133 HydrophobicContact CG-CG1 3.96Å; L131-L153 HydrophobicContact CD2-CD1 3.57Å; L131-I201 HydrophobicContact CB-CB 4.34Å; L131-I201 PolarHBondContact N-O 3.29Å; L131-I201 PolarHBondContact O-N 3.49Å; L131-L203 HydrophobicContact CB-CB 4.17Å; L131-L203 HydrophobicContact CB-CD2 4.38Å; L131-I218 HydrophobicContact CD1-CD1 4.33Å; L131-L239 HydrophobicContact CD1-CB 4.36Å; L131-L239 HydrophobicContact CD1-CD2 4.41Å; L131-I241 HydrophobicContact CD1-CD1 4.27Å; L131-I241 HydrophobicContact CD1-CG1 3.74Å |
| 132 | L | 93 | Very high | 89 | Confident | 45 Ų | 45 | 48.4 Ų | 48.4 | 24% | 0.236 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 127.7 | 169.8 | -69.3 | 176 | 0 | 0 | 0 | 108.7 | P200 N240 I242 | L132-P200 HydrophobicContact CD2-CB 3.73Å; L132-N240 HydrophobicContact CB-CB 3.91Å; L132-N240 HydrophobicContact CD1-CB 4.48Å; L132-N240 PolarHBondContact N-O 3.07Å; L132-N240 PolarHBondContact O-N 2.9Å; L132-I242 HydrophobicContact CD1-CD1 3.44Å; L132-I242 VanDerWaalsContact CD1-CD1 3.44Å; L132-I242 HydrophobicContact CD1-CG1 3.83Å; L132-I242 HydrophobicContact CG-CD1 4.29Å |
| 133 | I | 91.5 | Very high | 88.4 | Confident | 10 Ų | 10 | 48.3 Ų | 48.3 | 5% | 0.051 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 119.8 | -177.6 | -54.3 | -169.9 | 0 | 0 | 0 | 108 | L131 T135 L151 L181 I201 L236 L239 | L131-I133 HydrophobicContact CD2-CD1 3.92Å; L131-I133 HydrophobicContact CD2-CG1 4.07Å; L131-I133 HydrophobicContact CG-CD1 4.36Å; L131-I133 HydrophobicContact CG-CG1 3.96Å; I133-T135 HydrophobicContact CG2-CG2 3.88Å; I133-L151 HydrophobicContact CD1-CD2 3.05Å; I133-L151 HydrophobicContact CD1-CG 4.5Å; I133-L181 HydrophobicContact CB-CD1 4.27Å; I133-L181 HydrophobicContact CD1-CD1 4.14Å; I133-I201 HydrophobicContact CD1-CD1 3.78Å; I133-I201 HydrophobicContact CG1-CD1 4.42Å; I133-L236 HydrophobicContact CG2-CD1 3.49Å; I133-L236 VanDerWaalsContact CG2-CD1 3.49Å; I133-L239 HydrophobicContact CB-CD2 4.14Å; I133-L239 HydrophobicContact CD1-CD2 4.28Å; I133-L239 HydrophobicContact CG1-CD2 3.77Å; I133-L239 HydrophobicContact CG2-CD2 3.87Å |
| 134 | E | 90.1 | Very high | 88 | Confident | 64 Ų | 64 | 51.4 Ų | 51.4 | 30% | 0.299 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 120.5 | 176.9 | -65.1 | -173.4 | -168.4 | 0 | 0 | 109 | T237 E238 N240 | E134-T237 PolarHBondContact O-N 2.93Å; E134-T237 PolarHBondContact O-OG1 3.48Å; E134-T237 VanDerWaalsContact O-OG1 3.09Å; E134-E238 HydrophobicContact CB-CB 4.39Å; E134-E238 PolarHBondContact N-O 2.94Å; E134-N240 PolarHBondContact OE1-ND2 3.01Å |
| 135 | T | 89.3 | Confident | 87.7 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 131 | 178.7 | 59.8 | 0 | 0 | 0 | 0 | 109.1 | I133 H195 F196 I233 R235 L236 | I133-T135 HydrophobicContact CG2-CG2 3.88Å; T135-H195 CarbonylContact O-C 3.59Å; T135-H195 VanDerWaalsContact O-CA 3.25Å; T135-H195 WeakPolarHBondContact O-CA 3.38Å; T135-F196 PolarHBondContact O-N 3.48Å; T135-F196 WeakPolarHBondContact OG1-CB 3.34Å; T135-F196 WeakPolarHBondContact OG1-CD2 3.47Å; T135-I233 WeakPolarHBondContact CG2-O 3.49Å; T135-R235 CarbonylContact C-O 3.53Å; T135-R235 WeakPolarHBondContact CA-O 3.4Å; T135-L236 HydrophobicContact CG2-CD1 4.48Å |
| 136 | E | 88.2 | Confident | 87.4 | Confident | 25 Ų | 25 | 50.7 Ų | 50.7 | 12% | 0.117 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 141.4 | 178 | -169.9 | -169.3 | 176.7 | 0 | 0 | 110.2 | S138 G193 R235 T237 | E136-S138 PolarHBondContact O-N 3.43Å; E136-G193 VanDerWaalsContact OE1-CA 3.28Å; E136-G193 WeakPolarHBondContact OE1-CA 3.23Å; E136-G193 PolarHBondContact OE1-N 3.03Å; E136-R235 PolarHBondContact N-O 3.36Å; E136-R235 WeakPolarHBondContact OE2-CD 3.49Å; E136-R235 IonicContact OE2-NE 3.91Å; E136-R235 PolarHBondContact OE2-NE 2.91Å; E136-R235 VanDerWaalsContact OE2-NE 3.07Å; E136-T237 HydrophobicContact CB-CG2 3.69Å |
| 137 | Y | 85.9 | Confident | 87.1 | Confident | 50 Ų | 50 | 58.8 Ų | 58.8 | 20% | 0.196 | 29% | 0.286 | C | S | . | . | trans | -67.4 | 127.4 | 170.2 | -178.7 | -91.1 | 0 | 0 | 0 | 110.7 | E139 I185 R190 F194 F196 | Y137-E139 HydrophobicContact CE1-CG 3.88Å; Y137-I185 HydrophobicContact CD2-CD1 4.02Å; Y137-I185 HydrophobicContact CG-CD1 4.12Å; Y137-R190 HydrophobicContact CE1-CB 4.42Å; Y137-R190 HydrophobicContact CE2-CB 4.11Å; Y137-R190 HydrophobicContact CE2-CG 4.19Å; Y137-F194 WeakPolarHBondContact CB-O 3.46Å; Y137-F194 PolarHBondContact N-O 3.31Å; Y137-F196 HydrophobicContact CD2-CE2 4.1Å; Y137-F196 AromaticContact CD2-CZ 3.72Å; Y137-F196 HydrophobicContact CD2-CZ 3.72Å | ||
| 138 | S | 83.3 | Confident | 86.7 | Confident | 21 Ų | 21 | 62.7 Ų | 62.7 | 15% | 0.147 | 31% | 0.306 | C | S | . | . | trans | -134.8 | 137.1 | 174.6 | -171.8 | 0 | 0 | 0 | 0 | 110.6 | E136 N140 | E136-S138 PolarHBondContact O-N 3.43Å; S138-N140 PolarHBondContact OG-N 2.9Å | ||
| 139 | E | 79.7 | Confident | 86.6 | Confident | 145 Ų | 145 | 61 Ų | 61 | 68% | 0.678 | 30% | 0.298 | S | S | * | . | trans | -76.9 | -12.4 | 173.5 | -63.5 | -173 | 171.1 | 0 | 0 | 112.7 | Y137 | Y137-E139 HydrophobicContact CE1-CG 3.88Š| ||
| 140 | N | 80.9 | Confident | 86.4 | Confident | 60 Ų | 60 | 66 Ų | 66 | 32% | 0.321 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -66.1 | 125.2 | 179.2 | -179.7 | -11 | 0 | 0 | 0 | 109.5 | S138 Q142 W143 K144 | S138-N140 PolarHBondContact OG-N 2.9Å; N140-Q142 PolarHBondContact O-N 3.15Å; N140-Q142 WeakPolarHBondContact OD1-CB 3.18Å; N140-Q142 PolarHBondContact OD1-N 2.8Å; N140-W143 PolarHBondContact O-N 3.1Å; N140-K144 PolarHBondContact O-N 3.27Å |
| 141 | P | 80.8 | Confident | 86.3 | Confident | 111 Ų | 111 | 64.7 Ų | 64.7 | 72% | 0.721 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -57.8 | -23.8 | -178.7 | 22.4 | -34.7 | 0 | 0 | 0 | 113.9 | W143 | P141-W143 VanDerWaalsContact C-N 3.29Å; P141-W143 PolarHBondContact O-N 2.7Å |
| 142 | Q | 77.8 | Confident | 86.2 | Confident | 152 Ų | 152 | 68 Ų | 68 | 71% | 0.71 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -67 | -30.2 | 175.2 | -67.3 | -178.6 | -31.8 | 0 | 0 | 113.1 | N140 | N140-Q142 PolarHBondContact O-N 3.15Å; N140-Q142 WeakPolarHBondContact OD1-CB 3.18Å; N140-Q142 PolarHBondContact OD1-N 2.8Å |
| 143 | W | 81 | Confident | 86.3 | Confident | 89 Ų | 89 | 65.9 Ų | 65.9 | 34% | 0.337 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -108.2 | 19.6 | -176.4 | -56.2 | 118.8 | 0 | 0 | 0 | 112.2 | N140 P141 M145 G234 R235 | N140-W143 PolarHBondContact O-N 3.1Å; P141-W143 VanDerWaalsContact C-N 3.29Å; P141-W143 PolarHBondContact O-N 2.7Å; W143-M145 PolarHBondContact O-N 3.39Å; W143-G234 WeakPolarHBondContact O-CA 3.26Å; W143-R235 HydrophobicContact CB-CB 4.05Å; W143-R235 HydrophobicContact CD2-CB 4.23Å; W143-R235 HydrophobicContact CE3-CB 4.29Å; W143-R235 HydrophobicContact CG-CB 4.13Å |
| 144 | K | 85.1 | Confident | 86.4 | Confident | 140 Ų | 140 | 67.1 Ų | 67.1 | 61% | 0.609 | 32% | 0.322 | S | S | * | . | trans | -68.3 | 125.9 | 180 | -174.8 | 179.6 | 178.7 | -175.9 | 0 | 109.9 | N140 E232 | N140-K144 PolarHBondContact O-N 3.27Å; K144-E232 CarbonylContact O-C 3.13Å; K144-E232 WeakPolarHBondContact O-CA 3.41Å; K144-E232 WeakPolarHBondContact O-CB 3.4Å | ||
| 145 | M | 86.5 | Confident | 86.7 | Confident | 28 Ų | 28 | 64.1 Ų | 64.1 | 14% | 0.138 | 31% | 0.308 | C | S | . | . | B | Isolated β-bridge | trans | -74.4 | 127.9 | 173.3 | -173.3 | 60 | 176.4 | 0 | 0 | 110.9 | W143 P149 L181 C183 F196 E232 | W143-M145 PolarHBondContact O-N 3.39Å; M145-P149 HydrophobicContact CE-CG 3.46Å; M145-P149 VanDerWaalsContact CE-CG 3.46Å; M145-P149 HydrophobicContact SD-CG 3.77Å; M145-L181 HydrophobicContact CE-CB 4.37Å; M145-L181 HydrophobicContact CE-CD2 3.64Å; M145-L181 HydrophobicContact CE-CG 3.72Å; M145-L181 HydrophobicContact SD-CD2 4.43Å; M145-C183 HydrophobicContact CE-CB 3.87Å; M145-F196 HydrophobicContact CB-CE1 4.03Å; M145-F196 HydrophobicContact CB-CE2 3.95Å; M145-F196 HydrophobicContact CB-CZ 3.56Å; M145-F196 HydrophobicContact CG-CE1 4.17Å; M145-F196 HydrophobicContact CG-CE2 4.49Å; M145-F196 HydrophobicContact CG-CZ 4.15Å; M145-E232 CarbonylContact C-O 3.3Å; M145-E232 WeakPolarHBondContact CA-O 3.13Å |
| 146 | G | 85.8 | Confident | 87 | Confident | 14 Ų | 14 | 65.6 Ų | 65.6 | 14% | 0.144 | 31% | 0.313 | C | S | . | . | trans | -79.4 | 174.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | N148 E232 | G146-N148 PolarHBondContact O-N 3.42Å; G146-E232 WeakPolarHBondContact CA-OE2 3.33Å; G146-E232 PolarHBondContact N-O 3.19Å | ||
| 147 | K | 84.4 | Confident | 87.4 | Confident | 200 Ų | 200 | 64.4 Ų | 64.4 | 87% | 0.87 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -84.5 | 100.4 | 172 | -171.9 | 179 | -179.4 | -178.9 | 0 | 109.1 | ||
| 148 | N | 84.5 | Confident | 87.8 | Confident | 81 Ų | 81 | 62 Ų | 62 | 43% | 0.433 | 30% | 0.298 | S | S | . | . | S | Bend | trans | 55.1 | 60.9 | -176.5 | -58 | -24.8 | 0 | 0 | 0 | 113.2 | G146 L181 | G146-N148 PolarHBondContact O-N 3.42Å; N148-L181 WeakPolarHBondContact CA-O 3.36Å |
| 149 | P | 89.8 | Confident | 88.3 | Confident | 13 Ų | 13 | 63.1 Ų | 63.1 | 8% | 0.084 | 30% | 0.299 | C | S | . | . | trans | -63.7 | 147.9 | -179.5 | 29.5 | -36.3 | 0 | 0 | 0 | 111.5 | M145 L151 L181 E232 I233 | M145-P149 HydrophobicContact CE-CG 3.46Å; M145-P149 VanDerWaalsContact CE-CG 3.46Å; M145-P149 HydrophobicContact SD-CG 3.77Å; P149-L151 PolarHBondContact O-N 2.92Å; P149-L181 WeakPolarHBondContact CD-O 3.35Å; P149-L181 HydrophobicContact CG-CB 4.19Å; P149-L181 HydrophobicContact CG-CD2 4.48Å; P149-L181 PolarHBondContact O-N 2.98Å; P149-E232 WeakPolarHBondContact CG-O 3.34Å; P149-I233 HydrophobicContact CB-CG2 4.12Å; P149-I233 HydrophobicContact CG-CG2 4.24Å | ||
| 150 | E | 89.1 | Confident | 89 | Confident | 106 Ų | 106 | 57.8 Ų | 57.8 | 50% | 0.495 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 118.3 | 173 | -174.7 | -176.6 | 172 | 0 | 0 | 109.4 | S178 M180 | E150-S178 WeakPolarHBondContact OE1-CB 3.27Å; E150-S178 PolarHBondContact OE1-OG 3.46Å; E150-M180 HydrophobicContact CB-CE 4.46Å; E150-M180 HydrophobicContact CB-SD 4.23Å |
| 151 | L | 91.6 | Very high | 89.6 | Confident | 3 Ų | 3 | 57.6 Ų | 57.6 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 112.4 | 173.2 | -178.9 | 73.1 | 0 | 0 | 0 | 109.8 | I133 P149 L153 S178 R179 L181 I201 I220 N230 I233 | I133-L151 HydrophobicContact CD1-CD2 3.05Å; I133-L151 HydrophobicContact CD1-CG 4.5Å; P149-L151 PolarHBondContact O-N 2.92Å; L151-L153 HydrophobicContact CD1-CD2 4.1Å; L151-L153 HydrophobicContact CD2-CD1 4.15Å; L151-L153 HydrophobicContact CD2-CD2 3.86Å; L151-L153 HydrophobicContact CD2-CG 4.09Å; L151-L153 HydrophobicContact CG-CD2 3.8Å; L151-L153 HydrophobicContact CG-CG 4.04Å; L151-S178 CarbonylContact O-C 3.53Å; L151-S178 WeakPolarHBondContact O-CA 3.39Å; L151-R179 PolarHBondContact N-O 2.67Å; L151-R179 PolarHBondContact O-N 3.27Å; L151-L181 HydrophobicContact CB-CB 4.46Å; L151-I201 HydrophobicContact CD2-CD1 4.3Å; L151-I220 HydrophobicContact CD1-CG2 4.25Å; L151-N230 WeakPolarHBondContact CA-OD1 3.44Å; L151-I233 HydrophobicContact CD1-CD1 4.07Å; L151-I233 HydrophobicContact CD1-CG2 4.23Å |
| 152 | R | 92.9 | Very high | 90 | Very high | 71 Ų | 71 | 60 Ų | 60 | 27% | 0.268 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 125.5 | 172.2 | -171.3 | 173.8 | -177.7 | 152.3 | 6.9 | 109.9 | I177 P221 N230 | R152-I177 CarbonylContact C-O 3.52Å; R152-I177 WeakPolarHBondContact CA-O 3.5Å; R152-P221 HydrophobicContact CG-CG 4.33Å; R152-P221 WeakPolarHBondContact O-CD 3.4Å; R152-N230 PolarHBondContact N-OD1 3.48Å; R152-N230 PolarHBondContact O-ND2 3.08Å; R152-N230 PolarHBondContact O-OD1 3.05Å |
| 153 | L | 93.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 136 | 179.8 | -56.7 | 174.3 | 0 | 0 | 0 | 109.8 | L131 L151 V155 T176 I177 L203 I218 I220 | L131-L153 HydrophobicContact CD2-CD1 3.57Å; L151-L153 HydrophobicContact CD1-CD2 4.1Å; L151-L153 HydrophobicContact CD2-CD1 4.15Å; L151-L153 HydrophobicContact CD2-CD2 3.86Å; L151-L153 HydrophobicContact CD2-CG 4.09Å; L151-L153 HydrophobicContact CG-CD2 3.8Å; L151-L153 HydrophobicContact CG-CG 4.04Å; L153-V155 HydrophobicContact CB-CG1 3.9Å; L153-T176 CarbonylContact O-C 3.43Å; L153-T176 WeakPolarHBondContact O-CA 3.24Å; L153-I177 HydrophobicContact CB-CD1 4.35Å; L153-I177 HydrophobicContact CB-CG1 3.82Å; L153-I177 HydrophobicContact CD1-CD1 4.25Å; L153-I177 HydrophobicContact CD1-CG1 4.48Å; L153-I177 PolarHBondContact N-O 3.23Å; L153-I177 PolarHBondContact O-N 3.47Å; L153-L203 HydrophobicContact CD1-CD1 4.33Å; L153-I218 HydrophobicContact CB-CG2 4.21Å; L153-I218 HydrophobicContact CD2-CG2 3.96Å; L153-I218 HydrophobicContact CG-CG2 4.48Å; L153-I220 HydrophobicContact CD2-CD1 4.13Å; L153-I220 HydrophobicContact CD2-CG1 3.71Å |
| 154 | E | 94.5 | Very high | 91 | Very high | 36 Ų | 36 | 57.6 Ų | 57.6 | 17% | 0.168 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 108.1 | 167.7 | -57.7 | -179.5 | 177.1 | 0 | 0 | 107.5 | R101 T176 I218 R219 P221 | R101-E154 IonicContact CZ-OE1 3.53Å; R101-E154 IonicContact NE-OE1 3.87Å; R101-E154 PolarHBondContact NE-OE1 3.18Å; R101-E154 IonicContact NE-OE2 3.71Å; R101-E154 IonicContact NH2-OE1 2.71Å; R101-E154 PolarHBondContact NH2-OE1 3.22Å; E154-T176 HydrophobicContact CB-CG2 4.39Å; E154-T176 HydrophobicContact CG-CG2 3.83Å; E154-I218 CarbonylContact O-C 3.55Å; E154-I218 WeakPolarHBondContact O-CA 3.26Å; E154-R219 HydrophobicContact CB-CB 4.21Å; E154-R219 PolarHBondContact N-O 3.2Å; E154-R219 PolarHBondContact O-N 3.47Å; E154-P221 HydrophobicContact CG-CG 4.08Å |
| 155 | V | 95.5 | Very high | 91.2 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 132.5 | -170.9 | -61.2 | 0 | 0 | 0 | 0 | 110.2 | L153 T175 I177 L203 I218 F385 | L153-V155 HydrophobicContact CB-CG1 3.9Å; V155-T175 HydrophobicContact CG2-CG2 3.66Å; V155-T175 WeakPolarHBondContact CG2-O 3.31Å; V155-T175 PolarHBondContact N-O 2.92Å; V155-T175 PolarHBondContact O-N 3.01Å; V155-T175 VanDerWaalsContact O-O 3.08Å; V155-I177 HydrophobicContact CG1-CD1 3.96Å; V155-I177 HydrophobicContact CG1-CG1 4.17Å; V155-I177 HydrophobicContact CG2-CD1 4.25Å; V155-I177 HydrophobicContact CG2-CG1 4.29Å; V155-I177 HydrophobicContact CG2-CG2 4.28Å; V155-L203 HydrophobicContact CG1-CD1 4.24Å; V155-I218 HydrophobicContact CG1-CD1 4.48Å; V155-I218 HydrophobicContact CG1-CG1 4.11Å; V155-I218 HydrophobicContact CG1-CG2 4.27Å; V155-F385 HydrophobicContact CB-CD1 4.27Å; V155-F385 HydrophobicContact CB-CE1 3.93Å; V155-F385 HydrophobicContact CB-CZ 4.23Å; V155-F385 HydrophobicContact CG1-CE1 4.45Å; V155-F385 HydrophobicContact CG2-CB 4.47Å; V155-F385 HydrophobicContact CG2-CD1 3.63Å; V155-F385 HydrophobicContact CG2-CD2 4.11Å; V155-F385 HydrophobicContact CG2-CE1 3.74Å; V155-F385 HydrophobicContact CG2-CE2 4.22Å; V155-F385 HydrophobicContact CG2-CG 3.83Å; V155-F385 HydrophobicContact CG2-CZ 4.03Å |
| 156 | R | 95.5 | Very high | 91 | Very high | 32 Ų | 32 | 55.6 Ų | 55.6 | 12% | 0.121 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 123.2 | 174.9 | -63 | -175.5 | 68.6 | -159.1 | 5.3 | 108.7 | G67 W69 E171 S174 L216 N217 | G67-R156 PolarHBondContact O-NH1 3Å; G67-R156 PolarHBondContact O-NH2 3.23Å; W69-R156 HydrophobicContact CH2-CB 3.77Å; W69-R156 HydrophobicContact CZ3-CB 3.75Å; R156-E171 IonicContact CZ-OE2 2.71Å; R156-E171 IonicContact NE-OE2 2.71Å; R156-E171 PolarHBondContact NE-OE2 3.46Å; R156-E171 IonicContact NH2-OE2 3.08Å; R156-E171 PolarHBondContact NH2-OE2 3.35Å; R156-S174 WeakPolarHBondContact CG-OG 3.48Å; R156-L216 WeakPolarHBondContact O-CA 3.4Å; R156-N217 HydrophobicContact CB-CB 4.38Å; R156-N217 PolarHBondContact N-O 3.3Å; R156-N217 PolarHBondContact O-N 3.06Å |
| 157 | M | 95.8 | Very high | 91 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 125.3 | 173.6 | -172.9 | 173.1 | -82.3 | 0 | 0 | 109.4 | L172 I173 F204 L206 Y214 L215 L216 F385 | M157-L172 HydrophobicContact CB-CB 4.49Å; M157-L172 HydrophobicContact CG-CB 4.42Å; M157-L172 HydrophobicContact CG-CD2 4.15Å; M157-L172 WeakPolarHBondContact O-CA 3.31Å; M157-L172 VanDerWaalsContact O-CB 3.32Å; M157-L172 WeakPolarHBondContact O-CB 3.45Å; M157-L172 PolarHBondContact O-N 3.08Å; M157-L172 HydrophobicContact SD-CD2 3.76Å; M157-I173 HydrophobicContact CB-CG2 4.23Å; M157-I173 PolarHBondContact N-O 2.77Å; M157-I173 PolarHBondContact O-N 2.77Å; M157-F204 HydrophobicContact CE-CD1 3.55Å; M157-F204 HydrophobicContact CE-CD2 3.82Å; M157-F204 HydrophobicContact CE-CE1 3.54Å; M157-F204 HydrophobicContact CE-CE2 3.83Å; M157-F204 HydrophobicContact CE-CG 3.69Å; M157-F204 HydrophobicContact CE-CZ 3.69Å; M157-L206 HydrophobicContact SD-CD1 4.08Å; M157-L206 HydrophobicContact SD-CD2 4.45Å; M157-Y214 HydrophobicContact SD-CD1 4.33Å; M157-L215 CarbonylContact C-O 3.58Å; M157-L215 WeakPolarHBondContact CA-O 3.46Å; M157-L216 HydrophobicContact CE-CD1 4.39Å; M157-F385 HydrophobicContact CB-CE2 4.08Å; M157-F385 HydrophobicContact CB-CZ 3.97Å; M157-F385 HydrophobicContact CE-CZ 3.96Å |
| 158 | G | 95.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 160.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | H170 Y214 L215 | G158-H170 CarbonylContact C-O 3.58Å; G158-H170 WeakPolarHBondContact CA-O 3.45Å; G158-Y214 WeakPolarHBondContact O-CA 3.43Å; G158-L215 PolarHBondContact N-O 3.43Å; G158-L215 PolarHBondContact O-N 3.18Å |
| 159 | Y | 95 | Very high | 91.7 | Very high | 43 Ų | 43 | 48 Ų | 48 | 17% | 0.169 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 160.1 | 172.3 | 71.2 | -92.7 | 0 | 0 | 0 | 110.5 | H170 L172 Y211 F213 | Y159-H170 HydrophobicContact CD1-CB 4.08Å; Y159-H170 WeakPolarHBondContact CD1-O 3.47Å; Y159-H170 HydrophobicContact CD2-CB 4.16Å; Y159-H170 HydrophobicContact CE1-CB 3.63Å; Y159-H170 HydrophobicContact CE2-CB 3.7Å; Y159-H170 HydrophobicContact CG-CB 4.34Å; Y159-H170 VanDerWaalsContact CZ-CB 3.42Å; Y159-H170 PolarHBondContact N-O 3.41Å; Y159-H170 PolarHBondContact O-N 3.49Å; Y159-L172 HydrophobicContact CD1-CB 4.07Å; Y159-L172 HydrophobicContact CD1-CD1 4.12Å; Y159-L172 HydrophobicContact CE1-CD1 4.4Å; Y159-Y211 HydrophobicContact CD1-CD2 4.21Å; Y159-Y211 HydrophobicContact CD1-CE1 4.42Å; Y159-Y211 AromaticContact CD1-CE2 3.9Å; Y159-Y211 HydrophobicContact CD1-CE2 3.9Å; Y159-Y211 AromaticContact CD1-CZ 3.99Å; Y159-Y211 AromaticContact CD2-CD1 3.24Å; Y159-Y211 HydrophobicContact CD2-CD1 3.24Å; Y159-Y211 HydrophobicContact CD2-CD2 4.01Å; Y159-Y211 AromaticContact CD2-CE1 3.31Å; Y159-Y211 HydrophobicContact CD2-CE1 3.31Å; Y159-Y211 HydrophobicContact CD2-CE2 4.08Å; Y159-Y211 AromaticContact CD2-CG 3.6Å; Y159-Y211 HydrophobicContact CD2-CG 3.6Å; Y159-Y211 AromaticContact CD2-CZ 3.74Å; Y159-Y211 HydrophobicContact CE1-CE1 4.36Å; Y159-Y211 HydrophobicContact CE1-CE2 4.23Å; Y159-Y211 AromaticContact CE1-CZ 3.91Å; Y159-Y211 AromaticContact CE2-CD1 3.69Å; Y159-Y211 HydrophobicContact CE2-CD1 3.69Å; Y159-Y211 AromaticContact CE2-CE1 3.26Å; Y159-Y211 HydrophobicContact CE2-CE1 3.26Å; Y159-Y211 HydrophobicContact CE2-CE2 4.43Å; Y159-Y211 HydrophobicContact CE2-CG 4.41Å; Y159-Y211 AromaticContact CE2-CZ 3.68Å; Y159-Y211 AromaticContact CG-CD1 3.84Å; Y159-Y211 HydrophobicContact CG-CD1 3.84Å; Y159-Y211 AromaticContact CG-CD2 3.7Å; Y159-Y211 HydrophobicContact CG-CD2 3.7Å; Y159-Y211 AromaticContact CG-CE1 3.93Å; Y159-Y211 HydrophobicContact CG-CE1 3.93Å; Y159-Y211 AromaticContact CG-CE2 3.8Å; Y159-Y211 HydrophobicContact CG-CE2 3.8Å; Y159-Y211 AromaticContact CG-CG 3.72Å; Y159-Y211 HydrophobicContact CG-CG 3.72Å; Y159-Y211 AromaticContact CG-CZ 3.9Å; Y159-Y211 AromaticContact CZ-CE1 3.81Å; Y159-Y211 AromaticContact CZ-CZ 3.75Å; Y159-F213 WeakPolarHBondContact CA-O 3.38Å |
| 160 | R | 94.1 | Very high | 91.9 | Very high | 33 Ų | 33 | 51.1 Ų | 51.1 | 13% | 0.125 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 137.4 | 174 | -170.8 | -179.9 | 66.9 | 84.4 | 2.1 | 109.7 | D164 P165 W169 P212 F213 | R160-D164 HydrophobicContact CG-CB 3.61Å; R160-D164 PolarHBondContact NH1-O 3.24Å; R160-P165 WeakPolarHBondContact CD-O 3.28Å; R160-W169 HydrophobicContact CB-CD2 4.26Å; R160-W169 HydrophobicContact CB-CE3 3.74Å; R160-W169 HydrophobicContact CB-CH2 4.2Å; R160-W169 HydrophobicContact CB-CZ3 3.69Å; R160-P212 WeakPolarHBondContact O-CD 3.38Å; R160-P212 WeakPolarHBondContact O-CG 3.25Å; R160-F213 HydrophobicContact CB-CB 4.22Å; R160-F213 HydrophobicContact CB-CD2 4.5Å; R160-F213 PolarHBondContact N-O 3.23Å; R160-F213 VanDerWaalsContact N-O 3.12Å |
| 161 | N | 92.8 | Very high | 92.2 | Very high | 56 Ų | 56 | 50.8 Ų | 50.8 | 30% | 0.299 | 25% | 0.249 | S | C | . | . | trans | -84.5 | 173.5 | 173.1 | -59.2 | -67.6 | 0 | 0 | 0 | 111.4 | D163 D164 Y211 | N161-D163 VanDerWaalsContact C-N 3.31Å; N161-D163 PolarHBondContact O-N 3.46Å; N161-D164 WeakPolarHBondContact CA-OD2 3.29Å; N161-D164 WeakPolarHBondContact CB-OD2 3.39Å; N161-D164 PolarHBondContact N-OD2 2.92Å; N161-D164 PolarHBondContact ND2-OD2 2.91Å; N161-D164 PolarHBondContact O-N 3.46Å; N161-Y211 WeakPolarHBondContact OD1-CD1 3.34Å | ||
| 162 | R | 89 | Confident | 92.2 | Very high | 162 Ų | 162 | 52.6 Ų | 52.6 | 61% | 0.611 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -64.1 | -37.1 | 176.8 | -67.5 | -177 | 171.8 | 170.2 | -4.9 | 112.8 | E119 P212 | E119-R162 IonicContact OE1-NE 3.93Å; E119-R162 IonicContact OE2-CZ 3.17Å; E119-R162 IonicContact OE2-NE 2.64Å; E119-R162 PolarHBondContact OE2-NE 2.94Å; E119-R162 IonicContact OE2-NH2 3.19Å; E119-R162 PolarHBondContact OE2-NH2 3.23Å; R162-P212 HydrophobicContact CG-CB 4.46Å; R162-P212 HydrophobicContact CG-CG 4.03Å |
| 163 | D | 89.3 | Confident | 92.3 | Very high | 156 Ų | 156 | 50.6 Ų | 50.6 | 83% | 0.834 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -85.7 | -12 | -175.1 | -53.5 | -49 | 0 | 0 | 0 | 112.9 | N161 | N161-D163 VanDerWaalsContact C-N 3.31Å; N161-D163 PolarHBondContact O-N 3.46Å |
| 164 | D | 90.4 | Very high | 92.3 | Very high | 34 Ų | 34 | 53.6 Ų | 53.6 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -75.9 | 137.7 | -179.6 | -63.9 | -25.8 | 0 | 0 | 0 | 110 | R160 N161 A168 H170 | R160-D164 HydrophobicContact CG-CB 3.61Å; R160-D164 PolarHBondContact NH1-O 3.24Å; N161-D164 WeakPolarHBondContact CA-OD2 3.29Å; N161-D164 WeakPolarHBondContact CB-OD2 3.39Å; N161-D164 PolarHBondContact N-OD2 2.92Å; N161-D164 PolarHBondContact ND2-OD2 2.91Å; N161-D164 PolarHBondContact O-N 3.46Å; D164-A168 HydrophobicContact CB-CB 4.43Å; D164-H170 IonicContact OD1-NE2 2.75Å; D164-H170 IonicContact OD2-CD2 3.51Å; D164-H170 PolarHBondContact OD2-CD2 3.01Å; D164-H170 IonicContact OD2-NE2 3.25Å |
| 165 | P | 88.9 | Confident | 92.3 | Very high | 70 Ų | 70 | 53.6 Ų | 53.6 | 46% | 0.455 | 28% | 0.276 | S | S | . | . | trans | -61.9 | 156.3 | 175.8 | 28.9 | -34.8 | 0 | 0 | 0 | 110.4 | R160 D167 A168 | R160-P165 WeakPolarHBondContact CD-O 3.28Å; P165-D167 WeakPolarHBondContact CB-OD1 3.24Å; P165-D167 PolarHBondContact O-N 3.27Å; P165-A168 HydrophobicContact CG-CB 3.59Å; P165-A168 PolarHBondContact O-N 2.88Å | ||
| 166 | P | 84 | Confident | 92.2 | Very high | 57 Ų | 57 | 57 Ų | 57 | 37% | 0.37 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -24.5 | -168.4 | 20 | -31.9 | 0 | 0 | 0 | 115.2 | P74 W169 | P74-P166 VanDerWaalsContact CD-CB 3.44Å; P74-P166 HydrophobicContact CG-CB 3.68Å; P74-P166 HydrophobicContact CG-CG 4.1Å; P166-W169 PolarHBondContact O-NE1 3.48Å |
| 167 | D | 85.5 | Confident | 92.1 | Very high | 91 Ų | 91 | 55.9 Ų | 55.9 | 49% | 0.487 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -17.9 | -179.8 | 61.2 | -38.9 | 0 | 0 | 0 | 113.8 | Y71 P165 W169 | Y71-D167 HydrophobicContact CE1-CB 4.32Å; Y71-D167 WeakPolarHBondContact OH-CB 3.5Å; P165-D167 WeakPolarHBondContact CB-OD1 3.24Å; P165-D167 PolarHBondContact O-N 3.27Å; D167-W169 PolarHBondContact O-N 3.42Å |
| 168 | A | 90 | Very high | 91.9 | Very high | 30 Ų | 30 | 57.7 Ų | 57.7 | 25% | 0.248 | 31% | 0.306 | C | S | . | . | trans | -82.8 | 77.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D164 P165 | D164-A168 HydrophobicContact CB-CB 4.43Å; P165-A168 HydrophobicContact CG-CB 3.59Å; P165-A168 PolarHBondContact O-N 2.88Å | ||
| 169 | W | 93 | Very high | 91.7 | Very high | 14 Ų | 14 | 58.5 Ų | 58.5 | 5% | 0.053 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -84.8 | 125.2 | 171.5 | -67.4 | 93.8 | 0 | 0 | 0 | 111.8 | W69 Y71 Q108 R160 P166 D167 F213 L215 | W69-W169 HydrophobicContact CB-CB 4.12Å; W69-W169 HydrophobicContact CB-CG 4.41Å; W69-W169 HydrophobicContact CD2-CB 4.09Å; W69-W169 HydrophobicContact CG-CB 3.7Å; W69-W169 HydrophobicContact CG-CG 4.44Å; W69-W169 PolarHBondContact NE1-O 3.24Å; Y71-W169 AromaticContact CD1-CD1 3.74Å; Y71-W169 AromaticContact CD1-NE1 3.64Å; Y71-W169 AromaticContact CG-NE1 3.61Å; Q108-W169 HydrophobicContact CG-CH2 4.22Å; Q108-W169 HydrophobicContact CG-CZ2 4.23Å; R160-W169 HydrophobicContact CB-CD2 4.26Å; R160-W169 HydrophobicContact CB-CE3 3.74Å; R160-W169 HydrophobicContact CB-CH2 4.2Å; R160-W169 HydrophobicContact CB-CZ3 3.69Å; P166-W169 PolarHBondContact O-NE1 3.48Å; D167-W169 PolarHBondContact O-N 3.42Å; W169-F213 HydrophobicContact CH2-CB 4.01Å; W169-F213 HydrophobicContact CZ3-CB 4.14Å; W169-L215 HydrophobicContact CB-CD2 4.38Å; W169-L215 HydrophobicContact CD2-CB 3.81Å; W169-L215 HydrophobicContact CD2-CD2 3.6Å; W169-L215 HydrophobicContact CD2-CG 4.33Å; W169-L215 HydrophobicContact CE3-CB 3.44Å; W169-L215 VanDerWaalsContact CE3-CB 3.44Å; W169-L215 HydrophobicContact CE3-CD2 4.11Å; W169-L215 HydrophobicContact CE3-CG 4.43Å; W169-L215 HydrophobicContact CG-CD2 3.7Å; W169-L215 HydrophobicContact CH2-CB 3.77Å; W169-L215 HydrophobicContact CZ2-CB 4.12Å; W169-L215 HydrophobicContact CZ2-CD2 4.38Å; W169-L215 HydrophobicContact CZ3-CB 3.44Å; W169-L215 VanDerWaalsContact CZ3-CB 3.44Å |
| 170 | H | 94.3 | Very high | 91.4 | Very high | 78 Ų | 78 | 59.8 Ų | 59.8 | 36% | 0.361 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 134.5 | 175.5 | -66.6 | -66 | 0 | 0 | 0 | 110.9 | G158 Y159 D164 L172 | G158-H170 CarbonylContact C-O 3.58Å; G158-H170 WeakPolarHBondContact CA-O 3.45Å; Y159-H170 HydrophobicContact CD1-CB 4.08Å; Y159-H170 WeakPolarHBondContact CD1-O 3.47Å; Y159-H170 HydrophobicContact CD2-CB 4.16Å; Y159-H170 HydrophobicContact CE1-CB 3.63Å; Y159-H170 HydrophobicContact CE2-CB 3.7Å; Y159-H170 HydrophobicContact CG-CB 4.34Å; Y159-H170 VanDerWaalsContact CZ-CB 3.42Å; Y159-H170 PolarHBondContact N-O 3.41Å; Y159-H170 PolarHBondContact O-N 3.49Å; D164-H170 IonicContact OD1-NE2 2.75Å; D164-H170 IonicContact OD2-CD2 3.51Å; D164-H170 PolarHBondContact OD2-CD2 3.01Å; D164-H170 IonicContact OD2-NE2 3.25Å; H170-L172 PolarHBondContact O-N 3.29Å |
| 171 | E | 94.2 | Very high | 91.2 | Very high | 100 Ų | 100 | 58.3 Ų | 58.3 | 47% | 0.467 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 123.9 | 178.5 | -168.4 | 164.8 | 107.3 | 0 | 0 | 111 | W69 R156 | W69-E171 HydrophobicContact CH2-CG 4.3Å; W69-E171 HydrophobicContact CZ2-CB 3.77Å; W69-E171 HydrophobicContact CZ2-CG 3.87Å; R156-E171 IonicContact CZ-OE2 2.71Å; R156-E171 IonicContact NE-OE2 2.71Å; R156-E171 PolarHBondContact NE-OE2 3.46Å; R156-E171 IonicContact NH2-OE2 3.08Å; R156-E171 PolarHBondContact NH2-OE2 3.35Å |
| 172 | L | 93 | Very high | 91 | Very high | 41 Ų | 41 | 61.4 Ų | 61.4 | 22% | 0.215 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | -51.2 | 169.3 | -171.3 | 64.5 | 0 | 0 | 0 | 110.3 | M157 Y159 H170 L206 Y211 Y214 | M157-L172 HydrophobicContact CB-CB 4.49Å; M157-L172 HydrophobicContact CG-CB 4.42Å; M157-L172 HydrophobicContact CG-CD2 4.15Å; M157-L172 WeakPolarHBondContact O-CA 3.31Å; M157-L172 VanDerWaalsContact O-CB 3.32Å; M157-L172 WeakPolarHBondContact O-CB 3.45Å; M157-L172 PolarHBondContact O-N 3.08Å; M157-L172 HydrophobicContact SD-CD2 3.76Å; Y159-L172 HydrophobicContact CD1-CB 4.07Å; Y159-L172 HydrophobicContact CD1-CD1 4.12Å; Y159-L172 HydrophobicContact CE1-CD1 4.4Å; H170-L172 PolarHBondContact O-N 3.29Å; L172-L206 HydrophobicContact CD2-CD2 4.24Å; L172-Y211 HydrophobicContact CD1-CE2 4.14Å; L172-Y214 HydrophobicContact CD2-CE1 4.43Å |
| 173 | I | 94 | Very high | 91.1 | Very high | 29 Ų | 29 | 55 Ų | 55 | 15% | 0.149 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 146.9 | 177.8 | -173.6 | 170.3 | 0 | 0 | 0 | 110.4 | M157 N383 P384 F385 | M157-I173 HydrophobicContact CB-CG2 4.23Å; M157-I173 PolarHBondContact N-O 2.77Å; M157-I173 PolarHBondContact O-N 2.77Å; I173-N383 HydrophobicContact CD1-CB 4.3Å; I173-P384 HydrophobicContact CG2-CG 4.12Å; I173-F385 HydrophobicContact CG2-CD2 3.92Å; I173-F385 HydrophobicContact CG2-CE2 3.5Å; I173-F385 VanDerWaalsContact CG2-CE2 3.5Å |
| 174 | S | 94.3 | Very high | 91 | Very high | 62 Ų | 62 | 51 Ų | 51 | 43% | 0.434 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 123.9 | 172.2 | 176.4 | 0 | 0 | 0 | 0 | 108.5 | R156 | R156-S174 WeakPolarHBondContact CG-OG 3.48Å |
| 175 | T | 94.2 | Very high | 90.8 | Very high | 36 Ų | 36 | 50.4 Ų | 50.4 | 22% | 0.221 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 160.3 | -177.9 | -170 | 0 | 0 | 0 | 0 | 112.2 | V155 I177 F385 | V155-T175 HydrophobicContact CG2-CG2 3.66Å; V155-T175 WeakPolarHBondContact CG2-O 3.31Å; V155-T175 PolarHBondContact N-O 2.92Å; V155-T175 PolarHBondContact O-N 3.01Å; V155-T175 VanDerWaalsContact O-O 3.08Å; T175-I177 HydrophobicContact CG2-CG2 4.02Å; T175-F385 HydrophobicContact CG2-CB 4.06Å; T175-F385 HydrophobicContact CG2-CD2 3.95Å; T175-F385 HydrophobicContact CG2-CG 4.18Å |
| 176 | T | 93.1 | Very high | 90.6 | Very high | 72 Ų | 72 | 51.5 Ų | 51.5 | 44% | 0.442 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 123.5 | 172.1 | 68.3 | 0 | 0 | 0 | 0 | 109.2 | L153 E154 | L153-T176 CarbonylContact O-C 3.43Å; L153-T176 WeakPolarHBondContact O-CA 3.24Å; E154-T176 HydrophobicContact CB-CG2 4.39Å; E154-T176 HydrophobicContact CG-CG2 3.83Å |
| 177 | I | 93.3 | Very high | 90.5 | Very high | 10 Ų | 10 | 56.4 Ų | 56.4 | 5% | 0.051 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 152.5 | 179.5 | 62.5 | 175.4 | 0 | 0 | 0 | 110.6 | R152 L153 V155 T175 L203 F385 | R152-I177 CarbonylContact C-O 3.52Å; R152-I177 WeakPolarHBondContact CA-O 3.5Å; L153-I177 HydrophobicContact CB-CD1 4.35Å; L153-I177 HydrophobicContact CB-CG1 3.82Å; L153-I177 HydrophobicContact CD1-CD1 4.25Å; L153-I177 HydrophobicContact CD1-CG1 4.48Å; L153-I177 PolarHBondContact N-O 3.23Å; L153-I177 PolarHBondContact O-N 3.47Å; V155-I177 HydrophobicContact CG1-CD1 3.96Å; V155-I177 HydrophobicContact CG1-CG1 4.17Å; V155-I177 HydrophobicContact CG2-CD1 4.25Å; V155-I177 HydrophobicContact CG2-CG1 4.29Å; V155-I177 HydrophobicContact CG2-CG2 4.28Å; T175-I177 HydrophobicContact CG2-CG2 4.02Å; I177-L203 HydrophobicContact CD1-CD1 3.54Å; I177-F385 HydrophobicContact CD1-CD1 4.39Å; I177-F385 HydrophobicContact CG2-CB 3.78Å |
| 178 | S | 91.7 | Very high | 90.3 | Very high | 37 Ų | 37 | 59.7 Ų | 59.7 | 26% | 0.259 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 141.7 | 168.5 | -73.3 | 0 | 0 | 0 | 0 | 109 | E150 L151 S390 | E150-S178 WeakPolarHBondContact OE1-CB 3.27Å; E150-S178 PolarHBondContact OE1-OG 3.46Å; L151-S178 CarbonylContact O-C 3.53Å; L151-S178 WeakPolarHBondContact O-CA 3.39Å; S178-S390 WeakPolarHBondContact O-CB 3.01Å |
| 179 | R | 92 | Very high | 89.9 | Confident | 17 Ų | 17 | 60.6 Ų | 60.6 | 6% | 0.064 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 147.4 | 179.6 | -67.5 | -68.2 | -168.3 | -85.2 | -1.3 | 109.5 | L151 I201 E202 F385 | L151-R179 PolarHBondContact N-O 2.67Å; L151-R179 PolarHBondContact O-N 3.27Å; R179-I201 HydrophobicContact CB-CD1 4.22Å; R179-I201 HydrophobicContact CB-CG2 3.85Å; R179-I201 HydrophobicContact CG-CG2 3.51Å; R179-E202 PolarHBondContact NE-O 2.79Å; R179-E202 VanDerWaalsContact NE-O 3.09Å; R179-E202 PolarHBondContact NH2-O 3.36Å; R179-F385 PolarHBondContact NH2-O 2.94Å |
| 180 | M | 89 | Confident | 89.2 | Confident | 71 Ų | 71 | 65.9 Ų | 65.9 | 35% | 0.35 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 120.9 | 175.3 | -66.9 | -66.3 | 175.4 | 0 | 0 | 109.1 | E150 R182 | E150-M180 HydrophobicContact CB-CE 4.46Å; E150-M180 HydrophobicContact CB-SD 4.23Å; M180-R182 PolarHBondContact O-N 2.85Å |
| 181 | L | 89.6 | Confident | 88.6 | Confident | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | trans | -86.9 | 104.7 | -179.9 | -178.6 | 60.1 | 0 | 0 | 0 | 109.4 | I133 M145 N148 P149 L151 C183 C198 I201 I233 | I133-L181 HydrophobicContact CB-CD1 4.27Å; I133-L181 HydrophobicContact CD1-CD1 4.14Å; M145-L181 HydrophobicContact CE-CB 4.37Å; M145-L181 HydrophobicContact CE-CD2 3.64Å; M145-L181 HydrophobicContact CE-CG 3.72Å; M145-L181 HydrophobicContact SD-CD2 4.43Å; N148-L181 WeakPolarHBondContact CA-O 3.36Å; P149-L181 WeakPolarHBondContact CD-O 3.35Å; P149-L181 HydrophobicContact CG-CB 4.19Å; P149-L181 HydrophobicContact CG-CD2 4.48Å; P149-L181 PolarHBondContact O-N 2.98Å; L151-L181 HydrophobicContact CB-CB 4.46Å; L181-C183 WeakPolarHBondContact CD1-SG 3.38Å; L181-C183 WeakPolarHBondContact CG-SG 3.4Å; L181-C198 HydrophobicContact CD1-CB 4.2Å; L181-I201 HydrophobicContact CD1-CD1 4.17Å; L181-I233 HydrophobicContact CD2-CB 4.32Å | ||
| 182 | R | 89 | Confident | 87.7 | Confident | 122 Ų | 122 | 69.2 Ų | 69.2 | 46% | 0.46 | 35% | 0.351 | S | S | . | . | trans | -97.6 | 105.6 | 178.5 | -67.5 | 175.9 | -179.5 | 179.4 | 5.4 | 109.2 | M180 C198 E199 | M180-R182 PolarHBondContact O-N 2.85Å; R182-C198 WeakPolarHBondContact O-CA 3.27Å; R182-E199 HydrophobicContact CB-CB 4.39Å; R182-E199 HydrophobicContact CB-CG 4.29Å; R182-E199 WeakPolarHBondContact CD-OE2 3.48Å; R182-E199 IonicContact NH1-OE2 2.77Å; R182-E199 PolarHBondContact O-N 3.44Å | ||
| 183 | C | 89.4 | Confident | 86.9 | Confident | 27 Ų | 27 | 69.6 Ų | 69.6 | 18% | 0.182 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 143.2 | 178 | -48.3 | 0 | 0 | 0 | 0 | 111.3 | M145 L181 F196 Q197 C198 | M145-C183 HydrophobicContact CE-CB 3.87Å; L181-C183 WeakPolarHBondContact CD1-SG 3.38Å; L181-C183 WeakPolarHBondContact CG-SG 3.4Å; C183-F196 HydrophobicContact CB-CB 3.93Å; C183-F196 HydrophobicContact CB-CD1 4.37Å; C183-F196 HydrophobicContact CB-CG 4.45Å; C183-Q197 WeakPolarHBondContact CA-O 3.47Å; C183-C198 HydrophobicContact CB-CB 4.04Å; C183-C198 WeakPolarHBondContact CB-SG 3.46Å; C183-C198 WeakPolarHBondContact SG-CB 3.49Å; C183-C198 CovalentContact SG-SG 2.03Å; C183-C198 PolarHBondContact SG-SG 3.46Å |
| 184 | S | 88 | Confident | 86.6 | Confident | 73 Ų | 73 | 72.5 Ų | 72.5 | 51% | 0.51 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 149.6 | 174.6 | 49.3 | 0 | 0 | 0 | 0 | 110.4 | Q197 | S184-Q197 PolarHBondContact N-O 3.34Å; S184-Q197 PolarHBondContact O-N 2.74Å |
| 185 | I | 86.2 | Confident | 86.2 | Confident | 20 Ų | 20 | 73.8 Ų | 73.8 | 10% | 0.103 | 38% | 0.375 | C | S | . | . | trans | -136.1 | 128.7 | 171.1 | -166.1 | 167.3 | 0 | 0 | 0 | 108.5 | Y137 N189 R190 F196 | Y137-I185 HydrophobicContact CD2-CD1 4.02Å; Y137-I185 HydrophobicContact CG-CD1 4.12Å; I185-N189 HydrophobicContact CD1-CB 4.43Å; I185-N189 VanDerWaalsContact CD1-O 3.32Å; I185-N189 WeakPolarHBondContact CD1-O 3.41Å; I185-N189 HydrophobicContact CG1-CB 4.01Å; I185-R190 HydrophobicContact CG1-CG 4.48Å; I185-R190 HydrophobicContact CG2-CG 3.82Å; I185-F196 HydrophobicContact CB-CD1 3.58Å; I185-F196 HydrophobicContact CB-CE1 3.83Å; I185-F196 HydrophobicContact CB-CG 4.34Å; I185-F196 HydrophobicContact CD1-CD1 4.41Å; I185-F196 HydrophobicContact CD1-CE1 4.49Å; I185-F196 HydrophobicContact CG2-CD1 3.73Å; I185-F196 HydrophobicContact CG2-CE1 3.41Å; I185-F196 VanDerWaalsContact CG2-CE1 3.41Å; I185-F196 HydrophobicContact CG2-CZ 4.26Å | ||
| 186 | D | 85.5 | Confident | 85.8 | Confident | 94 Ų | 94 | 73.3 Ų | 73.3 | 50% | 0.503 | 37% | 0.37 | S | S | . | . | trans | -62.1 | 145.6 | 174.9 | -67.1 | -35.7 | 0 | 0 | 0 | 110.1 | E188 N189 R190 | D186-E188 PolarHBondContact O-N 3.32Å; D186-E188 VanDerWaalsContact O-N 3.16Å; D186-N189 PolarHBondContact O-N 3.22Å; D186-R190 PolarHBondContact O-N 3.18Å | ||
| 187 | Q | 81.4 | Confident | 85.5 | Confident | 159 Ų | 159 | 75.7 Ų | 75.7 | 74% | 0.743 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -58.6 | -32.8 | -175.9 | -71 | -174.4 | -1.1 | 0 | 0 | 112.6 | N189 R190 | Q187-N189 VanDerWaalsContact C-N 3.29Å; Q187-N189 PolarHBondContact O-N 3.05Å; Q187-R190 PolarHBondContact O-N 2.91Å |
| 188 | E | 81.2 | Confident | 85.4 | Confident | 161 Ų | 161 | 76.4 Ų | 76.4 | 75% | 0.752 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -66.6 | -31.6 | 179 | -60 | -176.4 | -180 | 0 | 0 | 112.5 | D186 | D186-E188 PolarHBondContact O-N 3.32Å; D186-E188 VanDerWaalsContact O-N 3.16Å |
| 189 | N | 81 | Confident | 85.2 | Confident | 49 Ų | 49 | 79.8 Ų | 79.8 | 26% | 0.262 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -92.6 | 6.8 | -176.9 | -66.2 | -23.3 | 0 | 0 | 0 | 113.1 | I185 D186 Q187 R191 F194 | I185-N189 HydrophobicContact CD1-CB 4.43Å; I185-N189 VanDerWaalsContact CD1-O 3.32Å; I185-N189 WeakPolarHBondContact CD1-O 3.41Å; I185-N189 HydrophobicContact CG1-CB 4.01Å; D186-N189 PolarHBondContact O-N 3.22Å; Q187-N189 VanDerWaalsContact C-N 3.29Å; Q187-N189 PolarHBondContact O-N 3.05Å; N189-R191 PolarHBondContact O-N 3.48Å; N189-F194 HydrophobicContact CB-CB 4.2Å; N189-F194 HydrophobicContact CB-CD1 3.88Å; N189-F194 HydrophobicContact CB-CE1 4.49Å; N189-F194 HydrophobicContact CB-CG 4.06Å; N189-F194 WeakPolarHBondContact O-CB 3.22Å; N189-F194 WeakPolarHBondContact OD1-CE1 3.39Å |
| 190 | R | 79.6 | Confident | 85.1 | Confident | 124 Ų | 124 | 82 Ų | 82 | 47% | 0.468 | 41% | 0.41 | S | S | . | . | trans | -76.6 | 61.5 | 175.9 | -68.4 | -177 | -175.5 | 178.5 | -0.5 | 111.9 | Y137 I185 D186 Q187 | Y137-R190 HydrophobicContact CE1-CB 4.42Å; Y137-R190 HydrophobicContact CE2-CB 4.11Å; Y137-R190 HydrophobicContact CE2-CG 4.19Å; I185-R190 HydrophobicContact CG1-CG 4.48Å; I185-R190 HydrophobicContact CG2-CG 3.82Å; D186-R190 PolarHBondContact O-N 3.18Å; Q187-R190 PolarHBondContact O-N 2.91Å | ||
| 191 | R | 80.4 | Confident | 85.2 | Confident | 169 Ų | 169 | 79.1 Ų | 79.1 | 64% | 0.638 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -136.6 | 150.3 | 178 | -57.3 | -179.9 | -172.7 | 176.9 | 3.1 | 108.1 | N189 F194 | N189-R191 PolarHBondContact O-N 3.48Å; R191-F194 HydrophobicContact CB-CD2 3.96Å; R191-F194 HydrophobicContact CB-CE2 4.18Å; R191-F194 PolarHBondContact O-N 2.87Å |
| 192 | S | 75.8 | Confident | 85.3 | Confident | 80 Ų | 80 | 83.7 Ų | 83.7 | 56% | 0.559 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 140.7 | 175 | -52 | 0 | 0 | 0 | 0 | 110.8 | ||
| 193 | G | 77.1 | Confident | 85.5 | Confident | 48 Ų | 48 | 78 Ų | 78 | 50% | 0.495 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.3 | -6.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | E136 | E136-G193 VanDerWaalsContact OE1-CA 3.28Å; E136-G193 WeakPolarHBondContact OE1-CA 3.23Å; E136-G193 PolarHBondContact OE1-N 3.03Å |
| 194 | F | 85.9 | Confident | 85.7 | Confident | 91 Ų | 91 | 76.9 Ų | 76.9 | 40% | 0.399 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -99.3 | 142.1 | 172.1 | -72.2 | -92.2 | 0 | 0 | 0 | 111 | Y137 N189 R191 | Y137-F194 WeakPolarHBondContact CB-O 3.46Å; Y137-F194 PolarHBondContact N-O 3.31Å; N189-F194 HydrophobicContact CB-CB 4.2Å; N189-F194 HydrophobicContact CB-CD1 3.88Å; N189-F194 HydrophobicContact CB-CE1 4.49Å; N189-F194 HydrophobicContact CB-CG 4.06Å; N189-F194 WeakPolarHBondContact O-CB 3.22Å; N189-F194 WeakPolarHBondContact OD1-CE1 3.39Å; R191-F194 HydrophobicContact CB-CD2 3.96Å; R191-F194 HydrophobicContact CB-CE2 4.18Å; R191-F194 PolarHBondContact O-N 2.87Å |
| 195 | H | 86.1 | Confident | 86 | Confident | 89 Ų | 89 | 75.1 Ų | 75.1 | 41% | 0.412 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 147.6 | 178.4 | -59.5 | -85.4 | 0 | 0 | 0 | 111.6 | T135 | T135-H195 CarbonylContact O-C 3.59Å; T135-H195 VanDerWaalsContact O-CA 3.25Å; T135-H195 WeakPolarHBondContact O-CA 3.38Å |
| 196 | F | 87.3 | Confident | 86.3 | Confident | 26 Ų | 26 | 75 Ų | 75 | 11% | 0.114 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 141.8 | 165 | -71.2 | -92.4 | 0 | 0 | 0 | 110 | T135 Y137 M145 C183 I185 C198 | T135-F196 PolarHBondContact O-N 3.48Å; T135-F196 WeakPolarHBondContact OG1-CB 3.34Å; T135-F196 WeakPolarHBondContact OG1-CD2 3.47Å; Y137-F196 HydrophobicContact CD2-CE2 4.1Å; Y137-F196 AromaticContact CD2-CZ 3.72Å; Y137-F196 HydrophobicContact CD2-CZ 3.72Å; M145-F196 HydrophobicContact CB-CE1 4.03Å; M145-F196 HydrophobicContact CB-CE2 3.95Å; M145-F196 HydrophobicContact CB-CZ 3.56Å; M145-F196 HydrophobicContact CG-CE1 4.17Å; M145-F196 HydrophobicContact CG-CE2 4.49Å; M145-F196 HydrophobicContact CG-CZ 4.15Å; C183-F196 HydrophobicContact CB-CB 3.93Å; C183-F196 HydrophobicContact CB-CD1 4.37Å; C183-F196 HydrophobicContact CB-CG 4.45Å; I185-F196 HydrophobicContact CB-CD1 3.58Å; I185-F196 HydrophobicContact CB-CE1 3.83Å; I185-F196 HydrophobicContact CB-CG 4.34Å; I185-F196 HydrophobicContact CD1-CD1 4.41Å; I185-F196 HydrophobicContact CD1-CE1 4.49Å; I185-F196 HydrophobicContact CG2-CD1 3.73Å; I185-F196 HydrophobicContact CG2-CE1 3.41Å; I185-F196 VanDerWaalsContact CG2-CE1 3.41Å; I185-F196 HydrophobicContact CG2-CZ 4.26Å; F196-C198 PolarHBondContact O-N 3.02Å |
| 197 | Q | 86.7 | Confident | 86.5 | Confident | 121 Ų | 121 | 71.2 Ų | 71.2 | 57% | 0.565 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87 | 104.3 | 169.8 | -67.6 | 177.6 | -8.9 | 0 | 0 | 108.4 | C183 S184 | C183-Q197 WeakPolarHBondContact CA-O 3.47Å; S184-Q197 PolarHBondContact N-O 3.34Å; S184-Q197 PolarHBondContact O-N 2.74Å |
| 198 | C | 89.9 | Confident | 86.9 | Confident | 26 Ų | 26 | 64.1 Ų | 64.1 | 18% | 0.176 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 142.3 | 178.9 | -62.1 | 0 | 0 | 0 | 0 | 111.4 | L181 R182 C183 F196 | L181-C198 HydrophobicContact CD1-CB 4.2Å; R182-C198 WeakPolarHBondContact O-CA 3.27Å; C183-C198 HydrophobicContact CB-CB 4.04Å; C183-C198 WeakPolarHBondContact CB-SG 3.46Å; C183-C198 WeakPolarHBondContact SG-CB 3.49Å; C183-C198 CovalentContact SG-SG 2.03Å; C183-C198 PolarHBondContact SG-SG 3.46Å; F196-C198 PolarHBondContact O-N 3.02Å |
| 199 | E | 88.9 | Confident | 87.4 | Confident | 108 Ų | 108 | 56.6 Ų | 56.6 | 51% | 0.505 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 140.9 | 170.8 | -67.3 | -178.4 | 170.1 | 0 | 0 | 110.3 | R182 | R182-E199 HydrophobicContact CB-CB 4.39Å; R182-E199 HydrophobicContact CB-CG 4.29Å; R182-E199 WeakPolarHBondContact CD-OE2 3.48Å; R182-E199 IonicContact NH1-OE2 2.77Å; R182-E199 PolarHBondContact O-N 3.44Å |
| 200 | P | 89.1 | Confident | 87.9 | Confident | 62 Ų | 62 | 55.1 Ų | 55.1 | 40% | 0.403 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 138 | 176 | 24.5 | -32.6 | 0 | 0 | 0 | 111.3 | L132 | L132-P200 HydrophobicContact CD2-CB 3.73Š|
| 201 | I | 91.1 | Very high | 88.5 | Confident | 12 Ų | 12 | 50.7 Ų | 50.7 | 6% | 0.062 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 124.3 | 179.6 | -62.9 | 175.1 | 0 | 0 | 0 | 109.4 | L130 L131 I133 L151 R179 L181 L203 | L130-I201 CarbonylContact C-O 3.47Å; L130-I201 WeakPolarHBondContact CA-O 3.48Å; L131-I201 HydrophobicContact CB-CB 4.34Å; L131-I201 PolarHBondContact N-O 3.29Å; L131-I201 PolarHBondContact O-N 3.49Å; I133-I201 HydrophobicContact CD1-CD1 3.78Å; I133-I201 HydrophobicContact CG1-CD1 4.42Å; L151-I201 HydrophobicContact CD2-CD1 4.3Å; R179-I201 HydrophobicContact CB-CD1 4.22Å; R179-I201 HydrophobicContact CB-CG2 3.85Å; R179-I201 HydrophobicContact CG-CG2 3.51Å; L181-I201 HydrophobicContact CD1-CD1 4.17Å; I201-L203 PolarHBondContact O-N 3.46Å |
| 202 | E | 91.1 | Very high | 89.2 | Confident | 97 Ų | 97 | 43.3 Ų | 43.3 | 45% | 0.453 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 107.4 | 169.6 | -67.7 | 171.1 | -175.9 | 0 | 0 | 110.1 | L130 R179 | L130-E202 HydrophobicContact CD2-CB 4.45Å; L130-E202 HydrophobicContact CD2-CG 3.87Å; R179-E202 PolarHBondContact NE-O 2.79Å; R179-E202 VanDerWaalsContact NE-O 3.09Å; R179-E202 PolarHBondContact NH2-O 3.36Å |
| 203 | L | 93.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -58.4 | -174.5 | -175.1 | 64.4 | 0 | 0 | 0 | 110.6 | G129 L131 L153 V155 I177 I201 L216 I218 I241 F385 | G129-L203 WeakPolarHBondContact O-CA 3.49Å; G129-L203 WeakPolarHBondContact O-CB 3.3Å; G129-L203 PolarHBondContact O-N 3Å; L131-L203 HydrophobicContact CB-CB 4.17Å; L131-L203 HydrophobicContact CB-CD2 4.38Å; L153-L203 HydrophobicContact CD1-CD1 4.33Å; V155-L203 HydrophobicContact CG1-CD1 4.24Å; I177-L203 HydrophobicContact CD1-CD1 3.54Å; I201-L203 PolarHBondContact O-N 3.46Å; L203-L216 HydrophobicContact CD2-CD2 3.62Å; L203-I218 HydrophobicContact CD2-CD1 3.87Å; L203-I241 HydrophobicContact CD2-CD1 4.12Å; L203-F385 HydrophobicContact CD1-CD1 4.19Å; L203-F385 HydrophobicContact CD1-CE1 4.32Å; L203-F385 HydrophobicContact CD2-CE1 4.45Å; L203-F385 HydrophobicContact CG-CD1 4.08Å; L203-F385 HydrophobicContact CG-CE1 3.97Å; L203-F385 WeakPolarHBondContact O-CA 3.46Å; L203-F385 WeakPolarHBondContact O-CD1 3.31Å |
| 204 | F | 94.4 | Very high | 90.9 | Very high | 5 Ų | 5 | 37.6 Ų | 37.6 | 2% | 0.022 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 152.4 | 179.6 | 69.1 | -96.6 | 0 | 0 | 0 | 112.7 | M109 L127 G129 M157 L206 L216 P384 F385 | M109-F204 HydrophobicContact CE-CE1 4.31Å; M109-F204 HydrophobicContact CE-CZ 4.11Å; M109-F204 HydrophobicContact SD-CZ 4.49Å; L127-F204 HydrophobicContact CB-CE2 4.44Å; L127-F204 HydrophobicContact CD2-CE2 3.87Å; L127-F204 HydrophobicContact CD2-CZ 4.18Å; L127-F204 HydrophobicContact CG-CE2 4.02Å; L127-F204 HydrophobicContact CG-CZ 4.49Å; G129-F204 PolarHBondContact N-O 3.38Å; G129-F204 PolarHBondContact O-N 3.41Å; M157-F204 HydrophobicContact CE-CD1 3.55Å; M157-F204 HydrophobicContact CE-CD2 3.82Å; M157-F204 HydrophobicContact CE-CE1 3.54Å; M157-F204 HydrophobicContact CE-CE2 3.83Å; M157-F204 HydrophobicContact CE-CG 3.69Å; M157-F204 HydrophobicContact CE-CZ 3.69Å; F204-L206 HydrophobicContact CD2-CG 4.05Å; F204-L206 HydrophobicContact CE2-CD1 4.42Å; F204-L206 HydrophobicContact CE2-CG 4.32Å; F204-L216 HydrophobicContact CD1-CD2 4.43Å; F204-L216 HydrophobicContact CE1-CD2 4.04Å; F204-P384 CarbonylContact C-O 3.51Å; F204-P384 WeakPolarHBondContact CA-O 3.31Å; F204-F385 HydrophobicContact CB-CD1 3.74Å; F204-F385 HydrophobicContact CB-CE1 3.76Å; F204-F385 HydrophobicContact CB-CG 4.19Å; F204-F385 HydrophobicContact CB-CZ 4.21Å; F204-F385 HydrophobicContact CD1-CE1 4.07Å; F204-F385 HydrophobicContact CG-CE1 4.3Å |
| 205 | E | 93.7 | Very high | 91.4 | Very high | 36 Ų | 36 | 33.2 Ų | 33.2 | 17% | 0.168 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 116.1 | 169 | -172.3 | -176.7 | -147.6 | 0 | 0 | 110 | L128 L317 H380 P384 | L128-E205 HydrophobicContact CD1-CB 3.99Å; L128-E205 HydrophobicContact CD1-CG 4.17Å; E205-L317 HydrophobicContact CG-CD2 4.37Å; E205-L317 WeakPolarHBondContact OE1-CD2 3.4Å; E205-H380 IonicContact OE2-CE1 2.61Å; E205-H380 PolarHBondContact OE2-CE1 2.96Å; E205-H380 IonicContact OE2-ND1 2.84Å; E205-H380 PolarHBondContact OE2-ND1 3.38Å; E205-P384 PolarHBondContact N-O 2.97Å; E205-P384 WeakPolarHBondContact O-CB 3.45Å |
| 206 | L | 92.9 | Very high | 91.9 | Very high | 17 Ų | 17 | 29 Ų | 29 | 9% | 0.089 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 121 | 173.1 | -59.3 | 177.8 | 0 | 0 | 0 | 109.5 | S126 L127 M157 L172 F204 S208 Y214 P384 | S126-L206 VanDerWaalsContact CA-O 3.24Å; S126-L206 WeakPolarHBondContact CA-O 3.49Å; S126-L206 WeakPolarHBondContact CB-O 3.5Å; L127-L206 HydrophobicContact CB-CB 4.1Å; L127-L206 HydrophobicContact CB-CD1 4.21Å; L127-L206 HydrophobicContact CB-CG 4.49Å; L127-L206 HydrophobicContact CD2-CD1 4.02Å; L127-L206 PolarHBondContact N-O 3.49Å; L127-L206 PolarHBondContact O-N 3.25Å; M157-L206 HydrophobicContact SD-CD1 4.08Å; M157-L206 HydrophobicContact SD-CD2 4.45Å; L172-L206 HydrophobicContact CD2-CD2 4.24Å; F204-L206 HydrophobicContact CD2-CG 4.05Å; F204-L206 HydrophobicContact CE2-CD1 4.42Å; F204-L206 HydrophobicContact CE2-CG 4.32Å; L206-S208 PolarHBondContact O-N 2.98Å; L206-Y214 HydrophobicContact CD1-CD1 4.49Å; L206-Y214 HydrophobicContact CD1-CE1 3.97Å; L206-P384 HydrophobicContact CD2-CB 3.61Å; L206-P384 HydrophobicContact CD2-CG 3.87Å |
| 207 | G | 88.7 | Confident | 92.3 | Very high | 15 Ų | 15 | 28 Ų | 28 | 16% | 0.155 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -76.6 | -4.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q125 | Q125-G207 CarbonylContact O-C 3.59Š|
| 208 | S | 90.7 | Very high | 92.7 | Very high | 10 Ų | 10 | 22.2 Ų | 22.2 | 7% | 0.07 | 12% | 0.118 | C | C | . | . | trans | -143.3 | 131.8 | 172.7 | 57.2 | 0 | 0 | 0 | 0 | 110.9 | Q125 L206 D210 | Q125-S208 CarbonylContact O-C 3.53Å; Q125-S208 WeakPolarHBondContact O-CA 2.96Å; Q125-S208 PolarHBondContact O-N 3.31Å; L206-S208 PolarHBondContact O-N 2.98Å; S208-D210 WeakPolarHBondContact CB-OD2 3.16Å; S208-D210 PolarHBondContact O-N 3.47Å; S208-D210 PolarHBondContact OG-OD2 2.97Å | ||
| 209 | C | 91.9 | Very high | 92.9 | Very high | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.02 | 11% | 0.113 | C | C | . | . | trans | -95.4 | 83.1 | 171 | -174.3 | 0 | 0 | 0 | 0 | 110.4 | R122 F124 Q125 | R122-C209 WeakPolarHBondContact CA-O 3.22Å; R122-C209 WeakPolarHBondContact CG-O 3.24Å; F124-C209 HydrophobicContact CB-CB 4.25Å; Q125-C209 PolarHBondContact O-N 3.03Å; Q125-C209 VanDerWaalsContact O-N 3.13Å | ||
| 210 | D | 90.7 | Very high | 93 | Very high | 17 Ų | 17 | 17.4 Ų | 17.4 | 9% | 0.091 | 9% | 0.093 | C | C | . | . | trans | -87 | -32.6 | -168.5 | -60.7 | -58.1 | 0 | 0 | 0 | 114.6 | R122 S208 Y214 R312 | R122-D210 PolarHBondContact NE-O 3.46Å; S208-D210 WeakPolarHBondContact CB-OD2 3.16Å; S208-D210 PolarHBondContact O-N 3.47Å; S208-D210 PolarHBondContact OG-OD2 2.97Å; D210-Y214 PolarHBondContact N-OH 3.5Å; D210-Y214 VanDerWaalsContact N-OH 3.15Å; D210-R312 WeakPolarHBondContact OD1-CA 3.38Å; D210-R312 WeakPolarHBondContact OD2-CD 3.39Å; D210-R312 WeakPolarHBondContact OD2-CG 3.22Å; D210-R312 IonicContact OD2-NE 2.69Å; D210-R312 PolarHBondContact OD2-NE 2.77Å | ||
| 211 | Y | 93.5 | Very high | 93 | Very high | 32 Ų | 32 | 14.5 Ų | 14.5 | 13% | 0.125 | 7% | 0.074 | C | C | . | . | trans | -110.1 | 150.1 | -170.9 | -53 | -74.9 | 0 | 0 | 0 | 112.2 | Y159 N161 L172 Y214 R312 | Y159-Y211 HydrophobicContact CD1-CD2 4.21Å; Y159-Y211 HydrophobicContact CD1-CE1 4.42Å; Y159-Y211 AromaticContact CD1-CE2 3.9Å; Y159-Y211 HydrophobicContact CD1-CE2 3.9Å; Y159-Y211 AromaticContact CD1-CZ 3.99Å; Y159-Y211 AromaticContact CD2-CD1 3.24Å; Y159-Y211 HydrophobicContact CD2-CD1 3.24Å; Y159-Y211 HydrophobicContact CD2-CD2 4.01Å; Y159-Y211 AromaticContact CD2-CE1 3.31Å; Y159-Y211 HydrophobicContact CD2-CE1 3.31Å; Y159-Y211 HydrophobicContact CD2-CE2 4.08Å; Y159-Y211 AromaticContact CD2-CG 3.6Å; Y159-Y211 HydrophobicContact CD2-CG 3.6Å; Y159-Y211 AromaticContact CD2-CZ 3.74Å; Y159-Y211 HydrophobicContact CE1-CE1 4.36Å; Y159-Y211 HydrophobicContact CE1-CE2 4.23Å; Y159-Y211 AromaticContact CE1-CZ 3.91Å; Y159-Y211 AromaticContact CE2-CD1 3.69Å; Y159-Y211 HydrophobicContact CE2-CD1 3.69Å; Y159-Y211 AromaticContact CE2-CE1 3.26Å; Y159-Y211 HydrophobicContact CE2-CE1 3.26Å; Y159-Y211 HydrophobicContact CE2-CE2 4.43Å; Y159-Y211 HydrophobicContact CE2-CG 4.41Å; Y159-Y211 AromaticContact CE2-CZ 3.68Å; Y159-Y211 AromaticContact CG-CD1 3.84Å; Y159-Y211 HydrophobicContact CG-CD1 3.84Å; Y159-Y211 AromaticContact CG-CD2 3.7Å; Y159-Y211 HydrophobicContact CG-CD2 3.7Å; Y159-Y211 AromaticContact CG-CE1 3.93Å; Y159-Y211 HydrophobicContact CG-CE1 3.93Å; Y159-Y211 AromaticContact CG-CE2 3.8Å; Y159-Y211 HydrophobicContact CG-CE2 3.8Å; Y159-Y211 AromaticContact CG-CG 3.72Å; Y159-Y211 HydrophobicContact CG-CG 3.72Å; Y159-Y211 AromaticContact CG-CZ 3.9Å; Y159-Y211 AromaticContact CZ-CE1 3.81Å; Y159-Y211 AromaticContact CZ-CZ 3.75Å; N161-Y211 WeakPolarHBondContact OD1-CD1 3.34Å; L172-Y211 HydrophobicContact CD1-CE2 4.14Å; Y211-Y214 AromaticContact CD2-CE1 3.84Å; Y211-Y214 HydrophobicContact CD2-CE1 3.84Å; Y211-Y214 PolarHBondContact N-OH 2.92Å; Y211-Y214 VanDerWaalsContact N-OH 3.13Å; Y211-Y214 WeakPolarHBondContact O-CE2 3.29Å; Y211-R312 PolarHBondContact OH-NH1 2.88Å | ||
| 212 | P | 93.6 | Very high | 92.6 | Very high | 13 Ų | 13 | 14.3 Ų | 14.3 | 8% | 0.084 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -75.6 | -27.2 | -179.5 | 29.1 | -34.9 | 0 | 0 | 0 | 113.7 | E119 Y120 R160 R162 | E119-P212 HydrophobicContact CB-CB 4.05Å; Y120-P212 PolarHBondContact N-O 2.95Å; Y120-P212 WeakPolarHBondContact O-CA 3.47Å; R160-P212 WeakPolarHBondContact O-CD 3.38Å; R160-P212 WeakPolarHBondContact O-CG 3.25Å; R162-P212 HydrophobicContact CG-CB 4.46Å; R162-P212 HydrophobicContact CG-CG 4.03Å |
| 213 | F | 94.8 | Very high | 91.7 | Very high | 6 Ų | 6 | 13.3 Ų | 13.3 | 3% | 0.026 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 137.8 | -177.3 | -51.4 | -73.2 | 0 | 0 | 0 | 110.6 | M109 Q117 L118 E119 Y159 R160 W169 | M109-F213 WeakPolarHBondContact O-CA 3.42Å; Q117-F213 HydrophobicContact CG-CE1 3.87Å; Q117-F213 HydrophobicContact CG-CZ 4.38Å; L118-F213 WeakPolarHBondContact O-CE1 3.09Å; E119-F213 HydrophobicContact CB-CE1 4.48Å; E119-F213 HydrophobicContact CB-CZ 4.49Å; E119-F213 HydrophobicContact CG-CE1 3.83Å; E119-F213 HydrophobicContact CG-CE2 4.49Å; E119-F213 HydrophobicContact CG-CZ 3.58Å; E119-F213 WeakPolarHBondContact OE1-CZ 3.31Å; Y159-F213 WeakPolarHBondContact CA-O 3.38Å; R160-F213 HydrophobicContact CB-CB 4.22Å; R160-F213 HydrophobicContact CB-CD2 4.5Å; R160-F213 PolarHBondContact N-O 3.23Å; R160-F213 VanDerWaalsContact N-O 3.12Å; W169-F213 HydrophobicContact CH2-CB 4.01Å; W169-F213 HydrophobicContact CZ3-CB 4.14Å |
| 214 | Y | 95.5 | Very high | 90.2 | Very high | 2 Ų | 2 | 16.8 Ų | 16.8 | 1% | 0.008 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 146 | 173.4 | -64.6 | -87.3 | 0 | 0 | 0 | 110 | M109 Y120 L127 M157 G158 L172 L206 D210 Y211 | M109-Y214 PolarHBondContact N-O 3.48Å; M109-Y214 PolarHBondContact O-N 3.02Å; M109-Y214 VanDerWaalsContact O-O 3.13Å; Y120-Y214 AromaticContact CD2-CD2 3.67Å; Y120-Y214 HydrophobicContact CD2-CD2 3.67Å; Y120-Y214 HydrophobicContact CD2-CE2 4.01Å; Y120-Y214 AromaticContact CE2-CD2 3.96Å; Y120-Y214 HydrophobicContact CE2-CD2 3.96Å; L127-Y214 HydrophobicContact CD2-CD2 4.14Å; L127-Y214 HydrophobicContact CD2-CE2 4.26Å; M157-Y214 HydrophobicContact SD-CD1 4.33Å; G158-Y214 WeakPolarHBondContact O-CA 3.43Å; L172-Y214 HydrophobicContact CD2-CE1 4.43Å; L206-Y214 HydrophobicContact CD1-CD1 4.49Å; L206-Y214 HydrophobicContact CD1-CE1 3.97Å; D210-Y214 PolarHBondContact N-OH 3.5Å; D210-Y214 VanDerWaalsContact N-OH 3.15Å; Y211-Y214 AromaticContact CD2-CE1 3.84Å; Y211-Y214 HydrophobicContact CD2-CE1 3.84Å; Y211-Y214 PolarHBondContact N-OH 2.92Å; Y211-Y214 VanDerWaalsContact N-OH 3.13Å; Y211-Y214 WeakPolarHBondContact O-CE2 3.29Å |
| 215 | L | 95.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 131.9 | 175.3 | -179.5 | 68.6 | 0 | 0 | 0 | 108.3 | W69 F70 V106 Q108 M157 G158 W169 | W69-L215 HydrophobicContact CB-CD2 4.15Å; W69-L215 HydrophobicContact CD2-CD2 4.32Å; W69-L215 HydrophobicContact CE3-CD2 3.76Å; W69-L215 HydrophobicContact CE3-CG 4.46Å; F70-L215 WeakPolarHBondContact O-CD2 3.32Å; V106-L215 HydrophobicContact CG1-CD1 3.65Å; Q108-L215 HydrophobicContact CB-CD1 4.06Å; Q108-L215 HydrophobicContact CG-CD1 4.37Å; M157-L215 CarbonylContact C-O 3.58Å; M157-L215 WeakPolarHBondContact CA-O 3.46Å; G158-L215 PolarHBondContact N-O 3.43Å; G158-L215 PolarHBondContact O-N 3.18Å; W169-L215 HydrophobicContact CB-CD2 4.38Å; W169-L215 HydrophobicContact CD2-CB 3.81Å; W169-L215 HydrophobicContact CD2-CD2 3.6Å; W169-L215 HydrophobicContact CD2-CG 4.33Å; W169-L215 HydrophobicContact CE3-CB 3.44Å; W169-L215 VanDerWaalsContact CE3-CB 3.44Å; W169-L215 HydrophobicContact CE3-CD2 4.11Å; W169-L215 HydrophobicContact CE3-CG 4.43Å; W169-L215 HydrophobicContact CG-CD2 3.7Å; W169-L215 HydrophobicContact CH2-CB 3.77Å; W169-L215 HydrophobicContact CZ2-CB 4.12Å; W169-L215 HydrophobicContact CZ2-CD2 4.38Å; W169-L215 HydrophobicContact CZ3-CB 3.44Å; W169-L215 VanDerWaalsContact CZ3-CB 3.44Å |
| 216 | L | 96.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 116.4 | -179.9 | 177.4 | 62.9 | 0 | 0 | 0 | 109.3 | V106 A107 M109 R156 M157 L203 F204 I218 I241 F385 | V106-L216 WeakPolarHBondContact CA-O 3.38Å; A107-L216 HydrophobicContact CB-CB 4.32Å; A107-L216 PolarHBondContact N-O 3.2Å; A107-L216 PolarHBondContact O-N 2.87Å; M109-L216 HydrophobicContact CE-CB 4.06Å; M109-L216 HydrophobicContact CE-CD2 4.43Å; R156-L216 WeakPolarHBondContact O-CA 3.4Å; M157-L216 HydrophobicContact CE-CD1 4.39Å; L203-L216 HydrophobicContact CD2-CD2 3.62Å; F204-L216 HydrophobicContact CD1-CD2 4.43Å; F204-L216 HydrophobicContact CE1-CD2 4.04Å; L216-I218 HydrophobicContact CD1-CG1 4.26Å; L216-I218 HydrophobicContact CD2-CD1 4.22Å; L216-I218 HydrophobicContact CG-CD1 4.27Å; L216-I218 HydrophobicContact CG-CG1 4.04Å; L216-I241 HydrophobicContact CD2-CD1 3.34Å; L216-I241 HydrophobicContact CG-CD1 4.4Å; L216-F385 HydrophobicContact CD1-CE1 4.09Å; L216-F385 HydrophobicContact CD1-CZ 3.91Å |
| 217 | N | 95.7 | Very high | 85.2 | Confident | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 122.3 | 176.9 | -68.5 | 0.4 | 0 | 0 | 0 | 108.5 | F70 V104 F105 R156 | F70-N217 PolarHBondContact N-ND2 3.34Å; F70-N217 VanDerWaalsContact N-ND2 3.11Å; F70-N217 PolarHBondContact O-ND2 2.87Å; F70-N217 PolarHBondContact O-OD1 3.32Å; F70-N217 VanDerWaalsContact O-OD1 3.12Å; V104-N217 HydrophobicContact CG1-CB 3.93Å; F105-N217 CarbonylContact O-C 3.59Å; F105-N217 WeakPolarHBondContact O-CA 3.22Å; R156-N217 HydrophobicContact CB-CB 4.38Å; R156-N217 PolarHBondContact N-O 3.3Å; R156-N217 PolarHBondContact O-N 3.06Å |
| 218 | I | 95.5 | Very high | 84.5 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 127.8 | 179.6 | -54.7 | -175.5 | 0 | 0 | 0 | 108.4 | M55 F105 L131 L153 E154 V155 L203 L216 I241 | M55-I218 HydrophobicContact CE-CB 4.12Å; M55-I218 HydrophobicContact CE-CD1 3.64Å; M55-I218 HydrophobicContact CE-CG1 3.73Å; M55-I218 HydrophobicContact SD-CD1 3.92Å; F105-I218 HydrophobicContact CB-CB 4.34Å; F105-I218 PolarHBondContact N-O 3.4Å; F105-I218 PolarHBondContact O-N 3.21Å; L131-I218 HydrophobicContact CD1-CD1 4.33Å; L153-I218 HydrophobicContact CB-CG2 4.21Å; L153-I218 HydrophobicContact CD2-CG2 3.96Å; L153-I218 HydrophobicContact CG-CG2 4.48Å; E154-I218 CarbonylContact O-C 3.55Å; E154-I218 WeakPolarHBondContact O-CA 3.26Å; V155-I218 HydrophobicContact CG1-CD1 4.48Å; V155-I218 HydrophobicContact CG1-CG1 4.11Å; V155-I218 HydrophobicContact CG1-CG2 4.27Å; L203-I218 HydrophobicContact CD2-CD1 3.87Å; L216-I218 HydrophobicContact CD1-CG1 4.26Å; L216-I218 HydrophobicContact CD2-CD1 4.22Å; L216-I218 HydrophobicContact CG-CD1 4.27Å; L216-I218 HydrophobicContact CG-CG1 4.04Å; I218-I241 HydrophobicContact CD1-CD1 4.18Å |
| 219 | R | 93.8 | Very high | 84.1 | Confident | 19 Ų | 19 | 32.7 Ų | 32.7 | 7% | 0.072 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 144.9 | 167.2 | -61.8 | -174.4 | 178.6 | 104.9 | -3.2 | 109.8 | D60 V104 E154 P221 | D60-R219 IonicContact OD2-CZ 3.34Å; D60-R219 IonicContact OD2-NE 3.73Å; D60-R219 IonicContact OD2-NH2 3.07Å; D60-R219 PolarHBondContact OD2-NH2 2.95Å; V104-R219 HydrophobicContact CG1-CG 4.39Å; V104-R219 HydrophobicContact CG2-CG 4.02Å; E154-R219 HydrophobicContact CB-CB 4.21Å; E154-R219 PolarHBondContact N-O 3.2Å; E154-R219 PolarHBondContact O-N 3.47Å; R219-P221 WeakPolarHBondContact O-CD 2.99Å |
| 220 | I | 91.9 | Very high | 83.9 | Confident | 14 Ų | 14 | 33.6 Ų | 33.6 | 7% | 0.072 | 20% | 0.204 | C | C | . | . | trans | -111.8 | 95.7 | 177.3 | -56.3 | -175.9 | 0 | 0 | 0 | 107.3 | F105 L151 L153 G222 N230 I233 L236 L239 | F105-I220 HydrophobicContact CD2-CD1 4.45Å; F105-I220 HydrophobicContact CD2-CG1 4.5Å; F105-I220 HydrophobicContact CE2-CD1 3.98Å; F105-I220 HydrophobicContact CE2-CG1 4.26Å; L151-I220 HydrophobicContact CD1-CG2 4.25Å; L153-I220 HydrophobicContact CD2-CD1 4.13Å; L153-I220 HydrophobicContact CD2-CG1 3.71Å; I220-G222 PolarHBondContact O-N 3.08Å; I220-N230 HydrophobicContact CG2-CB 4.27Å; I220-N230 VanDerWaalsContact CG2-ND2 3.27Å; I220-N230 WeakPolarHBondContact CG2-ND2 3.21Å; I220-I233 HydrophobicContact CG2-CD1 4.41Å; I220-L236 HydrophobicContact CD1-CD2 3.61Å; I220-L239 HydrophobicContact CD1-CD1 4.08Å | ||
| 221 | P | 89.3 | Confident | 83.5 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | trans | -64.6 | 133.9 | -176.6 | 25.9 | -35.9 | 0 | 0 | 0 | 111.7 | R101 R152 E154 R219 N230 | R101-P221 HydrophobicContact CG-CB 4.1Å; R152-P221 HydrophobicContact CG-CG 4.33Å; R152-P221 WeakPolarHBondContact O-CD 3.4Å; E154-P221 HydrophobicContact CG-CG 4.08Å; R219-P221 WeakPolarHBondContact O-CD 2.99Å; P221-N230 PolarHBondContact O-ND2 3.45Å | ||
| 222 | G | 82 | Confident | 83.1 | Confident | 9 Ų | 9 | 43 Ų | 43 | 9% | 0.093 | 24% | 0.243 | C | C | . | . | trans | -83.8 | -167.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | I220 N224 | I220-G222 PolarHBondContact O-N 3.08Å; G222-N224 PolarHBondContact O-N 3.37Å | ||
| 223 | N | 71.7 | Confident | 82.8 | Confident | 76 Ų | 76 | 43.5 Ų | 43.5 | 41% | 0.406 | 25% | 0.245 | S | C | . | . | trans | -78.1 | 106.4 | 172.3 | 177.9 | 20.9 | 0 | 0 | 0 | 110.7 | A227 N228 R231 | N223-A227 PolarHBondContact OD1-O 3.21Å; N223-A227 VanDerWaalsContact OD1-O 3.13Å; N223-N228 PolarHBondContact ND2-OD1 2.91Å; N223-N228 PolarHBondContact OD1-OD1 2.64Å; N223-R231 PolarHBondContact ND2-NH2 2.82Å | ||
| 224 | N | 62.8 | Low | 82.4 | Confident | 73 Ų | 73 | 43.4 Ų | 43.4 | 39% | 0.39 | 25% | 0.245 | S | C | . | . | B | Isolated β-bridge | trans | -105.9 | 104.2 | 171.2 | -83.8 | -13.3 | 0 | 0 | 0 | 109.2 | D99 G222 T226 A227 | D99-N224 PolarHBondContact OD2-ND2 2.91Å; D99-N224 PolarHBondContact OD2-OD1 3.4Å; G222-N224 PolarHBondContact O-N 3.37Å; N224-T226 PolarHBondContact O-N 2.9Å; N224-A227 PolarHBondContact N-O 2.88Å; N224-A227 PolarHBondContact O-N 3.28Å |
| 225 | G | 55.9 | Low | 82 | Confident | 84 Ų | 84 | 43.8 Ų | 43.8 | 87% | 0.866 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 35.9 | -52.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||
| 226 | T | 56.7 | Low | 81.7 | Confident | 147 Ų | 147 | 45 Ų | 45 | 90% | 0.902 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -18.6 | 177.6 | 52.8 | 0 | 0 | 0 | 0 | 113.9 | N224 | N224-T226 PolarHBondContact O-N 2.9Š|
| 227 | A | 63.1 | Low | 81.3 | Confident | 25 Ų | 25 | 46.2 Ų | 46.2 | 21% | 0.207 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -136.6 | 117.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N223 N224 F229 | N223-A227 PolarHBondContact OD1-O 3.21Å; N223-A227 VanDerWaalsContact OD1-O 3.13Å; N224-A227 PolarHBondContact N-O 2.88Å; N224-A227 PolarHBondContact O-N 3.28Å; A227-F229 HydrophobicContact CB-CD2 4Å; A227-F229 HydrophobicContact CB-CE1 4.38Å; A227-F229 HydrophobicContact CB-CE2 3.34Å; A227-F229 HydrophobicContact CB-CZ 3.55Å; A227-F229 PolarHBondContact O-N 3.24Å |
| 228 | N | 73.1 | Confident | 81 | Confident | 92 Ų | 92 | 49.9 Ų | 49.9 | 49% | 0.492 | 28% | 0.277 | S | S | . | . | trans | -92.5 | 82.4 | -178.5 | -65.7 | -25.8 | 0 | 0 | 0 | 110 | N223 R231 | N223-N228 PolarHBondContact ND2-OD1 2.91Å; N223-N228 PolarHBondContact OD1-OD1 2.64Å; N228-R231 PolarHBondContact ND2-NH1 3.47Å; N228-R231 PolarHBondContact ND2-NH2 3.25Å; N228-R231 PolarHBondContact OD1-NH2 3.45Å | ||
| 229 | F | 83.3 | Confident | 80.9 | Confident | 69 Ų | 69 | 50 Ų | 50 | 30% | 0.303 | 28% | 0.278 | S | S | . | . | trans | -94.7 | 158.7 | 173.4 | -55.9 | -54.8 | 0 | 0 | 0 | 111.9 | A227 R231 | A227-F229 HydrophobicContact CB-CD2 4Å; A227-F229 HydrophobicContact CB-CE1 4.38Å; A227-F229 HydrophobicContact CB-CE2 3.34Å; A227-F229 HydrophobicContact CB-CZ 3.55Å; A227-F229 PolarHBondContact O-N 3.24Å; F229-R231 VanDerWaalsContact C-N 3.29Å; F229-R231 PolarHBondContact O-N 2.71Å | ||
| 230 | N | 86.6 | Confident | 80.9 | Confident | 22 Ų | 22 | 49.7 Ų | 49.7 | 12% | 0.118 | 28% | 0.277 | C | S | . | . | S | Bend | trans | 53 | 40.3 | 169.1 | -66.3 | -32.4 | 0 | 0 | 0 | 114.8 | L151 R152 I220 P221 I233 | L151-N230 WeakPolarHBondContact CA-OD1 3.44Å; R152-N230 PolarHBondContact N-OD1 3.48Å; R152-N230 PolarHBondContact O-ND2 3.08Å; R152-N230 PolarHBondContact O-OD1 3.05Å; I220-N230 HydrophobicContact CG2-CB 4.27Å; I220-N230 VanDerWaalsContact CG2-ND2 3.27Å; I220-N230 WeakPolarHBondContact CG2-ND2 3.21Å; P221-N230 PolarHBondContact O-ND2 3.45Å; N230-I233 HydrophobicContact CB-CD1 4.21Å |
| 231 | R | 83.3 | Confident | 81 | Confident | 132 Ų | 132 | 49 Ų | 49 | 50% | 0.498 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 148.6 | 173 | -68 | -172.6 | 171.4 | -172.5 | -3.7 | 110.3 | N223 N228 F229 I233 | N223-R231 PolarHBondContact ND2-NH2 2.82Å; N228-R231 PolarHBondContact ND2-NH1 3.47Å; N228-R231 PolarHBondContact ND2-NH2 3.25Å; N228-R231 PolarHBondContact OD1-NH2 3.45Å; F229-R231 VanDerWaalsContact C-N 3.29Å; F229-R231 PolarHBondContact O-N 2.71Å; R231-I233 PolarHBondContact O-N 3.42Å |
| 232 | E | 84.8 | Confident | 81.2 | Confident | 115 Ų | 115 | 50.9 Ų | 50.9 | 54% | 0.537 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 27.9 | 174.6 | -47.3 | -177.1 | 174.7 | 0 | 0 | 114.3 | K144 M145 G146 P149 G234 | K144-E232 CarbonylContact O-C 3.13Å; K144-E232 WeakPolarHBondContact O-CA 3.41Å; K144-E232 WeakPolarHBondContact O-CB 3.4Å; M145-E232 CarbonylContact C-O 3.3Å; M145-E232 WeakPolarHBondContact CA-O 3.13Å; G146-E232 WeakPolarHBondContact CA-OE2 3.33Å; G146-E232 PolarHBondContact N-O 3.19Å; P149-E232 WeakPolarHBondContact CG-O 3.34Å; E232-G234 PolarHBondContact O-N 3.47Å |
| 233 | I | 87.7 | Confident | 81.7 | Confident | 24 Ų | 24 | 50.4 Ų | 50.4 | 12% | 0.123 | 28% | 0.279 | C | S | . | . | B | Isolated β-bridge | trans | -82.9 | 8.1 | 178.3 | 61.7 | 167.6 | 0 | 0 | 0 | 113.6 | T135 P149 L151 L181 I220 N230 R231 | T135-I233 WeakPolarHBondContact CG2-O 3.49Å; P149-I233 HydrophobicContact CB-CG2 4.12Å; P149-I233 HydrophobicContact CG-CG2 4.24Å; L151-I233 HydrophobicContact CD1-CD1 4.07Å; L151-I233 HydrophobicContact CD1-CG2 4.23Å; L181-I233 HydrophobicContact CD2-CB 4.32Å; I220-I233 HydrophobicContact CG2-CD1 4.41Å; N230-I233 HydrophobicContact CB-CD1 4.21Å; R231-I233 PolarHBondContact O-N 3.42Å |
| 234 | G | 85.8 | Confident | 82.6 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | trans | 78.2 | -176.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113 | W143 E232 L236 | W143-G234 WeakPolarHBondContact O-CA 3.26Å; E232-G234 PolarHBondContact O-N 3.47Å; G234-L236 PolarHBondContact O-N 2.96Å | ||
| 235 | R | 87.3 | Confident | 83.9 | Confident | 11 Ų | 11 | 46.3 Ų | 46.3 | 4% | 0.042 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 105.3 | 169.7 | 176.9 | -174 | 171.6 | 83.9 | 8.2 | 108.2 | G87 R88 P89 T135 E136 W143 T237 | G87-R235 PolarHBondContact O-NH2 3.33Å; R88-R235 PolarHBondContact O-NH2 3.19Å; R88-R235 VanDerWaalsContact O-NH2 3.16Å; P89-R235 VanDerWaalsContact CA-NH1 3.28Å; T135-R235 CarbonylContact C-O 3.53Å; T135-R235 WeakPolarHBondContact CA-O 3.4Å; E136-R235 PolarHBondContact N-O 3.36Å; E136-R235 WeakPolarHBondContact OE2-CD 3.49Å; E136-R235 IonicContact OE2-NE 3.91Å; E136-R235 PolarHBondContact OE2-NE 2.91Å; E136-R235 VanDerWaalsContact OE2-NE 3.07Å; W143-R235 HydrophobicContact CB-CB 4.05Å; W143-R235 HydrophobicContact CD2-CB 4.23Å; W143-R235 HydrophobicContact CE3-CB 4.29Å; W143-R235 HydrophobicContact CG-CB 4.13Å; R235-T237 PolarHBondContact O-N 2.98Å |
| 236 | L | 89.1 | Confident | 85.5 | Confident | 26 Ų | 26 | 44.3 Ų | 44.3 | 14% | 0.136 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 129.5 | 173.3 | -176.2 | 67.6 | 0 | 0 | 0 | 109.7 | L86 F105 I133 T135 I220 G234 L239 | L86-L236 HydrophobicContact CD1-CB 4.36Å; L86-L236 HydrophobicContact CD1-CD2 4.31Å; L86-L236 HydrophobicContact CD1-CG 4.16Å; L86-L236 VanDerWaalsContact CD1-O 3.31Å; L86-L236 WeakPolarHBondContact CD1-O 3.46Å; F105-L236 HydrophobicContact CE1-CD2 4.32Å; F105-L236 HydrophobicContact CE2-CD2 4.14Å; F105-L236 HydrophobicContact CZ-CD2 3.59Å; I133-L236 HydrophobicContact CG2-CD1 3.49Å; I133-L236 VanDerWaalsContact CG2-CD1 3.49Å; T135-L236 HydrophobicContact CG2-CD1 4.48Å; I220-L236 HydrophobicContact CD1-CD2 3.61Å; G234-L236 PolarHBondContact O-N 2.96Å; L236-L239 HydrophobicContact CD1-CD2 3.69Å; L236-L239 HydrophobicContact CD1-CG 4.28Å; L236-L239 HydrophobicContact CD2-CD2 4.46Å; L236-L239 HydrophobicContact CD2-CG 4.42Å |
| 237 | T | 87.8 | Confident | 87.2 | Confident | 24 Ų | 24 | 39.1 Ų | 39.1 | 15% | 0.147 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | -55.7 | 172.4 | 50.3 | 0 | 0 | 0 | 0 | 110.3 | E134 E136 R235 | E134-T237 PolarHBondContact O-N 2.93Å; E134-T237 PolarHBondContact O-OG1 3.48Å; E134-T237 VanDerWaalsContact O-OG1 3.09Å; E136-T237 HydrophobicContact CB-CG2 3.69Å; R235-T237 PolarHBondContact O-N 2.98Å |
| 238 | E | 90.7 | Very high | 88.5 | Confident | 82 Ų | 82 | 38.4 Ų | 38.4 | 38% | 0.383 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 155.2 | -172.6 | -63.4 | -177.8 | -166 | 0 | 0 | 111.2 | L54 E134 | L54-E238 HydrophobicContact CD1-CB 4.15Å; L54-E238 HydrophobicContact CD1-CG 4.39Å; L54-E238 VanDerWaalsContact CD1-OE2 3.32Å; L54-E238 WeakPolarHBondContact CD1-OE2 3.45Å; E134-E238 HydrophobicContact CB-CB 4.39Å; E134-E238 PolarHBondContact N-O 2.94Å |
| 239 | L | 93.3 | Very high | 89.4 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 127.5 | 169.1 | -65.6 | -178.5 | 0 | 0 | 0 | 108.8 | M55 F105 L131 I133 I220 L236 | M55-L239 HydrophobicContact CB-CB 4.12Å; M55-L239 VanDerWaalsContact CB-O 3.29Å; M55-L239 WeakPolarHBondContact CB-O 3.46Å; M55-L239 HydrophobicContact CG-CB 3.98Å; M55-L239 VanDerWaalsContact CG-O 3.28Å; M55-L239 WeakPolarHBondContact CG-O 3.4Å; M55-L239 PolarHBondContact N-O 3.48Å; M55-L239 HydrophobicContact SD-CB 3.59Å; M55-L239 VanDerWaalsContact SD-CB 3.59Å; M55-L239 HydrophobicContact SD-CD1 4.02Å; M55-L239 HydrophobicContact SD-CG 4.48Å; F105-L239 HydrophobicContact CB-CD1 3.89Å; F105-L239 HydrophobicContact CD1-CB 4.17Å; F105-L239 HydrophobicContact CD1-CD1 3.59Å; F105-L239 HydrophobicContact CD1-CG 3.93Å; F105-L239 HydrophobicContact CD2-CD1 3.66Å; F105-L239 HydrophobicContact CE1-CD1 3.98Å; F105-L239 HydrophobicContact CE1-CG 4.05Å; F105-L239 HydrophobicContact CE2-CD1 4.05Å; F105-L239 HydrophobicContact CG-CD1 3.43Å; F105-L239 VanDerWaalsContact CG-CD1 3.43Å; F105-L239 HydrophobicContact CG-CG 4.29Å; F105-L239 HydrophobicContact CZ-CD1 4.2Å; L131-L239 HydrophobicContact CD1-CB 4.36Å; L131-L239 HydrophobicContact CD1-CD2 4.41Å; I133-L239 HydrophobicContact CB-CD2 4.14Å; I133-L239 HydrophobicContact CD1-CD2 4.28Å; I133-L239 HydrophobicContact CG1-CD2 3.77Å; I133-L239 HydrophobicContact CG2-CD2 3.87Å; I220-L239 HydrophobicContact CD1-CD1 4.08Å; L236-L239 HydrophobicContact CD1-CD2 3.69Å; L236-L239 HydrophobicContact CD1-CG 4.28Å; L236-L239 HydrophobicContact CD2-CD2 4.46Å; L236-L239 HydrophobicContact CD2-CG 4.42Å |
| 240 | N | 93.6 | Very high | 89.9 | Confident | 13 Ų | 13 | 32.7 Ų | 32.7 | 7% | 0.07 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 140.6 | 178.2 | -77.9 | -42.9 | 0 | 0 | 0 | 109.1 | F53 L54 L132 E134 | F53-N240 CarbonylContact O-C 3.57Å; F53-N240 WeakPolarHBondContact O-CA 3.43Å; L54-N240 VanDerWaalsContact CA-OD1 3.26Å; L54-N240 WeakPolarHBondContact CA-OD1 3.42Å; L54-N240 WeakPolarHBondContact CD1-OD1 3.28Å; L132-N240 HydrophobicContact CB-CB 3.91Å; L132-N240 HydrophobicContact CD1-CB 4.48Å; L132-N240 PolarHBondContact N-O 3.07Å; L132-N240 PolarHBondContact O-N 2.9Å; E134-N240 PolarHBondContact OE1-ND2 3.01Å |
| 241 | I | 94.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 122 | 175.2 | -65.5 | -179.9 | 0 | 0 | 0 | 109 | N52 F53 M55 A107 L130 L131 L203 L216 I218 | N52-I241 CarbonylContact C-O 3.51Å; N52-I241 WeakPolarHBondContact CA-O 3.42Å; N52-I241 PolarHBondContact OD1-O 3.47Å; F53-I241 HydrophobicContact CB-CB 4.33Å; F53-I241 PolarHBondContact N-O 2.76Å; F53-I241 PolarHBondContact O-N 3.16Å; M55-I241 HydrophobicContact CE-CD1 3.82Å; M55-I241 HydrophobicContact CG-CD1 4.04Å; M55-I241 HydrophobicContact CG-CG1 4.07Å; M55-I241 HydrophobicContact SD-CD1 3.57Å; M55-I241 VanDerWaalsContact SD-CD1 3.57Å; M55-I241 HydrophobicContact SD-CG1 3.9Å; A107-I241 HydrophobicContact CB-CD1 4.02Å; L130-I241 CarbonylContact O-C 3.5Å; L130-I241 VanDerWaalsContact O-CA 3.32Å; L130-I241 WeakPolarHBondContact O-CA 3.48Å; L131-I241 HydrophobicContact CD1-CD1 4.27Å; L131-I241 HydrophobicContact CD1-CG1 3.74Å; L203-I241 HydrophobicContact CD2-CD1 4.12Å; L216-I241 HydrophobicContact CD2-CD1 3.34Å; L216-I241 HydrophobicContact CG-CD1 4.4Å; I218-I241 HydrophobicContact CD1-CD1 4.18Å |
| 242 | I | 92.1 | Very high | 90.7 | Very high | 40 Ų | 40 | 31.3 Ų | 31.3 | 21% | 0.205 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 113.1 | 168.5 | -60.2 | 179.2 | 0 | 0 | 0 | 107.6 | W50 L130 L132 I244 | W50-I242 HydrophobicContact CB-CG2 4.34Å; W50-I242 HydrophobicContact CE3-CG2 4.17Å; L130-I242 HydrophobicContact CB-CB 4.37Å; L130-I242 PolarHBondContact N-O 3.4Å; L130-I242 PolarHBondContact O-N 3.4Å; L132-I242 HydrophobicContact CD1-CD1 3.44Å; L132-I242 VanDerWaalsContact CD1-CD1 3.44Å; L132-I242 HydrophobicContact CD1-CG1 3.83Å; L132-I242 HydrophobicContact CG-CD1 4.29Å; I242-I244 HydrophobicContact CG2-CD1 4.5Å; I242-I244 HydrophobicContact CG2-CG1 4.05Å |
| 243 | E | 92.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 132.9 | 172 | -179.4 | -88.4 | 113.4 | 0 | 0 | 109.1 | W50 M51 F53 M109 Y120 L127 L128 H245 | W50-E243 CarbonylContact C-O 3.42Å; W50-E243 WeakPolarHBondContact CA-O 3.46Å; W50-E243 VanDerWaalsContact CB-O 3.25Å; W50-E243 WeakPolarHBondContact CB-O 3.33Å; M51-E243 PolarHBondContact N-O 3.26Å; M51-E243 PolarHBondContact O-N 3.31Å; F53-E243 HydrophobicContact CD2-CB 4.07Å; F53-E243 HydrophobicContact CE2-CB 3.65Å; F53-E243 HydrophobicContact CE2-CG 4.39Å; M109-E243 HydrophobicContact SD-CB 4.32Å; M109-E243 HydrophobicContact SD-CG 4.25Å; Y120-E243 WeakPolarHBondContact CE1-OE2 3.46Å; Y120-E243 VanDerWaalsContact OH-CD 3.27Å; Y120-E243 PolarHBondContact OH-OE2 2.95Å; L127-E243 HydrophobicContact CD1-CG 3.51Å; L127-E243 WeakPolarHBondContact CD1-OE1 3.24Å; L127-E243 HydrophobicContact CD2-CG 4.49Å; L127-E243 HydrophobicContact CG-CG 3.97Å; L128-E243 CarbonylContact O-C 3.55Å; L128-E243 VanDerWaalsContact O-CA 3.32Å; L128-E243 WeakPolarHBondContact O-CA 3.46Å; E243-H245 VanDerWaalsContact CD-ND1 3.32Å; E243-H245 VanDerWaalsContact OE1-CB 3.27Å; E243-H245 WeakPolarHBondContact OE1-CB 3.49Å; E243-H245 IonicContact OE1-CE1 3.52Å; E243-H245 IonicContact OE1-CG 3.58Å; E243-H245 PolarHBondContact OE1-N 3.25Å; E243-H245 VanDerWaalsContact OE1-N 3.14Å; E243-H245 IonicContact OE1-ND1 2.8Å; E243-H245 PolarHBondContact OE1-ND1 3.37Å; E243-H245 IonicContact OE2-CE1 3.55Å; E243-H245 IonicContact OE2-ND1 3.95Å; E243-H245 PolarHBondContact OE2-ND1 3.44Å; E243-H245 VanDerWaalsContact OE2-ND1 3.17Å |
| 244 | I | 90.7 | Very high | 91.5 | Very high | 48 Ų | 48 | 27.7 Ų | 27.7 | 25% | 0.246 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 126 | 178.3 | -54 | 176.4 | 0 | 0 | 0 | 108.4 | A49 W50 L128 L130 I242 | A49-I244 WeakPolarHBondContact O-CA 3.36Å; W50-I244 HydrophobicContact CB-CG1 3.99Å; L128-I244 HydrophobicContact CB-CB 4.3Å; L128-I244 HydrophobicContact CD2-CD1 4.26Å; L128-I244 PolarHBondContact N-O 2.93Å; L128-I244 PolarHBondContact O-N 3.42Å; L130-I244 HydrophobicContact CD1-CD1 3.92Å; I242-I244 HydrophobicContact CG2-CD1 4.5Å; I242-I244 HydrophobicContact CG2-CG1 4.05Å |
| 245 | H | 91.5 | Very high | 91.9 | Very high | 15 Ų | 15 | 27.6 Ų | 27.6 | 7% | 0.069 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 158.2 | 177.4 | 54.7 | -89.8 | 0 | 0 | 0 | 111.6 | S48 A49 F124 L127 E243 | S48-H245 VanDerWaalsContact CA-O 3.31Å; S48-H245 WeakPolarHBondContact CA-O 3.48Å; A49-H245 PolarHBondContact N-O 3.38Å; A49-H245 PolarHBondContact O-N 2.96Å; F124-H245 HydrophobicContact CB-CB 4.16Å; F124-H245 AromaticContact CD1-CD2 3.83Å; F124-H245 AromaticContact CE1-CD2 3.98Å; F124-H245 HydrophobicContact CG-CB 4.43Å; F124-H245 AromaticContact CG-CD2 3.85Å; L127-H245 HydrophobicContact CD1-CB 4.05Å; E243-H245 VanDerWaalsContact CD-ND1 3.32Å; E243-H245 VanDerWaalsContact OE1-CB 3.27Å; E243-H245 WeakPolarHBondContact OE1-CB 3.49Å; E243-H245 IonicContact OE1-CE1 3.52Å; E243-H245 IonicContact OE1-CG 3.58Å; E243-H245 PolarHBondContact OE1-N 3.25Å; E243-H245 VanDerWaalsContact OE1-N 3.14Å; E243-H245 IonicContact OE1-ND1 2.8Å; E243-H245 PolarHBondContact OE1-ND1 3.37Å; E243-H245 IonicContact OE2-CE1 3.55Å; E243-H245 IonicContact OE2-ND1 3.95Å; E243-H245 PolarHBondContact OE2-ND1 3.44Å; E243-H245 VanDerWaalsContact OE2-ND1 3.17Å |
| 246 | Q | 89.6 | Confident | 92.3 | Very high | 42 Ų | 42 | 29.5 Ų | 29.5 | 20% | 0.196 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 136.1 | 170.5 | -158.3 | 177.3 | -53.5 | 0 | 0 | 109.3 | P47 F124 G248 F250 T251 | P47-Q246 WeakPolarHBondContact O-CA 3.36Å; P47-Q246 VanDerWaalsContact O-CG 3.28Å; P47-Q246 WeakPolarHBondContact O-CG 3.37Å; F124-Q246 VanDerWaalsContact CA-O 3.26Å; F124-Q246 WeakPolarHBondContact CA-O 3.46Å; F124-Q246 WeakPolarHBondContact CD1-O 3.29Å; F124-Q246 WeakPolarHBondContact O-CB 3.38Å; F124-Q246 PolarHBondContact O-N 3.43Å; Q246-G248 PolarHBondContact O-N 2.93Å; Q246-F250 HydrophobicContact CG-CD1 4.25Å; Q246-T251 PolarHBondContact NE2-OG1 3.27Å |
| 247 | N | 91.1 | Very high | 92.6 | Very high | 37 Ų | 37 | 28.7 Ų | 28.7 | 20% | 0.198 | 15% | 0.154 | C | C | . | . | trans | -70.5 | 125.9 | 179.9 | -167.4 | -38 | 0 | 0 | 0 | 110.4 | P45 S46 P47 G249 F250 T251 | P45-N247 WeakPolarHBondContact CB-ND2 3.27Å; P45-N247 HydrophobicContact CG-CB 4.32Å; P45-N247 WeakPolarHBondContact CG-OD1 3.29Å; S46-N247 WeakPolarHBondContact O-CB 3.43Å; P47-N247 PolarHBondContact O-N 3.2Å; N247-G249 PolarHBondContact O-N 2.84Å; N247-G249 PolarHBondContact OD1-N 3.36Å; N247-G249 VanDerWaalsContact OD1-N 3.09Å; N247-F250 HydrophobicContact CB-CB 4.12Å; N247-F250 WeakPolarHBondContact O-CA 3.3Å; N247-F250 WeakPolarHBondContact O-CB 3.13Å; N247-F250 PolarHBondContact O-N 3Å; N247-T251 PolarHBondContact O-N 3.01Å; N247-T251 PolarHBondContact O-OG1 3.47Å | ||
| 248 | G | 91.8 | Very high | 92.9 | Very high | 11 Ų | 11 | 27.8 Ų | 27.8 | 11% | 0.113 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.3 | -31.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q246 K252 | Q246-G248 PolarHBondContact O-N 2.93Å; G248-K252 PolarHBondContact O-N 3.46Å |
| 249 | G | 92.1 | Very high | 93.2 | Very high | 30 Ų | 30 | 26.9 Ų | 26.9 | 31% | 0.309 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -69.6 | -36.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P45 N247 K252 V253 | P45-G249 VanDerWaalsContact CG-C 3.46Å; N247-G249 PolarHBondContact O-N 2.84Å; N247-G249 PolarHBondContact OD1-N 3.36Å; N247-G249 VanDerWaalsContact OD1-N 3.09Å; G249-K252 PolarHBondContact O-N 2.76Å; G249-V253 PolarHBondContact O-N 2.96Å |
| 250 | F | 92.1 | Very high | 93.3 | Very high | 10 Ų | 10 | 32 Ų | 32 | 4% | 0.044 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.5 | -46.7 | 175.6 | 175.5 | -96.1 | 0 | 0 | 0 | 109.5 | A44 P45 P47 Q246 N247 K252 V253 W254 L498 | A44-F250 HydrophobicContact CB-CD2 3.95Å; P45-F250 VanDerWaalsContact CD-N 3.35Å; P45-F250 HydrophobicContact CG-CB 4.21Å; P47-F250 HydrophobicContact CB-CD1 4.2Å; P47-F250 HydrophobicContact CB-CD2 4.23Å; P47-F250 HydrophobicContact CB-CE1 4.14Å; P47-F250 HydrophobicContact CB-CE2 4.17Å; P47-F250 HydrophobicContact CB-CG 4.26Å; P47-F250 HydrophobicContact CB-CZ 4.13Å; P47-F250 HydrophobicContact CG-CD2 4.15Å; P47-F250 HydrophobicContact CG-CE2 3.97Å; P47-F250 HydrophobicContact CG-CZ 4.3Å; Q246-F250 HydrophobicContact CG-CD1 4.25Å; N247-F250 HydrophobicContact CB-CB 4.12Å; N247-F250 WeakPolarHBondContact O-CA 3.3Å; N247-F250 WeakPolarHBondContact O-CB 3.13Å; N247-F250 PolarHBondContact O-N 3Å; F250-K252 PolarHBondContact O-N 3.41Å; F250-V253 PolarHBondContact O-N 3.47Å; F250-V253 VanDerWaalsContact O-N 3.11Å; F250-W254 HydrophobicContact CE1-CB 4.27Å; F250-W254 HydrophobicContact CE1-CD2 4.41Å; F250-W254 HydrophobicContact CE1-CE3 4.44Å; F250-W254 HydrophobicContact CE1-CG 4.36Å; F250-W254 HydrophobicContact CZ-CD2 4.37Å; F250-W254 AromaticContact CZ-CE3 3.95Å; F250-W254 HydrophobicContact CZ-CE3 3.95Å; F250-W254 HydrophobicContact CZ-CZ3 4.49Å; F250-W254 VanDerWaalsContact O-CB 3.31Å; F250-W254 WeakPolarHBondContact O-CB 3.39Å; F250-W254 PolarHBondContact O-N 3.2Å; F250-L498 HydrophobicContact CE2-CB 4.5Å; F250-L498 HydrophobicContact CE2-CD1 4.28Å; F250-L498 HydrophobicContact CZ-CB 4.24Å; F250-L498 HydrophobicContact CZ-CD1 3.8Å |
| 251 | T | 93.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -52.9 | -42.8 | 174.7 | -55.9 | 0 | 0 | 0 | 0 | 112.1 | W123 Q125 Q246 N247 W254 L255 | W123-T251 HydrophobicContact CE3-CG2 3.99Å; W123-T251 WeakPolarHBondContact O-CB 3.2Å; W123-T251 WeakPolarHBondContact O-CG2 3.5Å; W123-T251 PolarHBondContact O-OG1 3.34Å; Q125-T251 HydrophobicContact CG-CG2 3.79Å; Q125-T251 VanDerWaalsContact NE2-CG2 3.34Å; Q246-T251 PolarHBondContact NE2-OG1 3.27Å; N247-T251 PolarHBondContact O-N 3.01Å; N247-T251 PolarHBondContact O-OG1 3.47Å; T251-W254 PolarHBondContact O-N 3.43Å; T251-L255 HydrophobicContact CG2-CD1 3.97Å; T251-L255 HydrophobicContact CG2-CG 4.42Å; T251-L255 VanDerWaalsContact O-CB 3.3Å; T251-L255 WeakPolarHBondContact O-CB 3.41Å; T251-L255 WeakPolarHBondContact O-CG 3.34Å; T251-L255 PolarHBondContact O-N 2.92Å |
| 252 | K | 94.6 | Very high | 93.5 | Very high | 126 Ų | 126 | 34.2 Ų | 34.2 | 55% | 0.548 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.2 | -44.9 | 178.4 | -172.7 | 178.6 | -179.6 | -179.8 | 0 | 112.3 | W123 G248 G249 F250 S256 | W123-K252 HydrophobicContact CE3-CB 4.34Å; W123-K252 HydrophobicContact CH2-CG 4.4Å; W123-K252 HydrophobicContact CZ3-CB 4Å; W123-K252 HydrophobicContact CZ3-CG 4.28Å; G248-K252 PolarHBondContact O-N 3.46Å; G249-K252 PolarHBondContact O-N 2.76Å; F250-K252 PolarHBondContact O-N 3.41Å; K252-S256 WeakPolarHBondContact O-CB 3.48Å; K252-S256 PolarHBondContact O-N 3.35Å; K252-S256 PolarHBondContact O-OG 3.5Å |
| 253 | V | 94.4 | Very high | 93.8 | Very high | 25 Ų | 25 | 35.6 Ų | 35.6 | 15% | 0.152 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.3 | -44.4 | 176.7 | 177 | 0 | 0 | 0 | 0 | 110.6 | I39 A44 G249 F250 S256 M257 | I39-V253 HydrophobicContact CG2-CG1 3.61Å; A44-V253 HydrophobicContact CB-CB 3.92Å; A44-V253 HydrophobicContact CB-CG1 3.96Å; A44-V253 HydrophobicContact CB-CG2 3.99Å; G249-V253 PolarHBondContact O-N 2.96Å; F250-V253 PolarHBondContact O-N 3.47Å; F250-V253 VanDerWaalsContact O-N 3.11Å; V253-S256 PolarHBondContact O-N 3.24Å; V253-M257 WeakPolarHBondContact O-CB 3.32Å; V253-M257 PolarHBondContact O-N 3.26Å |
| 254 | W | 94.2 | Very high | 93.9 | Very high | 38 Ų | 38 | 39.6 Ų | 39.6 | 14% | 0.144 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.8 | -50.5 | 178.5 | -171.9 | -114.2 | 0 | 0 | 0 | 112.2 | F250 T251 S256 M257 K258 T499 Y502 | F250-W254 HydrophobicContact CE1-CB 4.27Å; F250-W254 HydrophobicContact CE1-CD2 4.41Å; F250-W254 HydrophobicContact CE1-CE3 4.44Å; F250-W254 HydrophobicContact CE1-CG 4.36Å; F250-W254 HydrophobicContact CZ-CD2 4.37Å; F250-W254 AromaticContact CZ-CE3 3.95Å; F250-W254 HydrophobicContact CZ-CE3 3.95Å; F250-W254 HydrophobicContact CZ-CZ3 4.49Å; F250-W254 VanDerWaalsContact O-CB 3.31Å; F250-W254 WeakPolarHBondContact O-CB 3.39Å; F250-W254 PolarHBondContact O-N 3.2Å; T251-W254 PolarHBondContact O-N 3.43Å; W254-S256 PolarHBondContact O-N 3.03Å; W254-M257 PolarHBondContact O-N 2.99Å; W254-K258 WeakPolarHBondContact O-CG 3.37Å; W254-K258 PolarHBondContact O-N 2.93Å; W254-T499 HydrophobicContact CE3-CG2 4.47Å; W254-Y502 HydrophobicContact CE3-CD1 4.38Å; W254-Y502 AromaticContact CH2-CD1 3.8Å; W254-Y502 HydrophobicContact CH2-CD1 3.8Å; W254-Y502 HydrophobicContact CH2-CD2 4.21Å; W254-Y502 AromaticContact CH2-CG 3.61Å; W254-Y502 HydrophobicContact CH2-CG 3.61Å; W254-Y502 HydrophobicContact CZ2-CD1 4.41Å; W254-Y502 HydrophobicContact CZ2-CG 4.34Å; W254-Y502 AromaticContact CZ3-CD1 3.78Å; W254-Y502 HydrophobicContact CZ3-CD1 3.78Å; W254-Y502 AromaticContact CZ3-CG 3.95Å; W254-Y502 HydrophobicContact CZ3-CG 3.95Å |
| 255 | L | 94.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.9 | -40.2 | 176.5 | -83.5 | 176.4 | 0 | 0 | 0 | 112.7 | W123 T251 M257 K258 T259 P303 E305 W306 | W123-L255 HydrophobicContact CZ3-CD1 4.02Å; T251-L255 HydrophobicContact CG2-CD1 3.97Å; T251-L255 HydrophobicContact CG2-CG 4.42Å; T251-L255 VanDerWaalsContact O-CB 3.3Å; T251-L255 WeakPolarHBondContact O-CB 3.41Å; T251-L255 WeakPolarHBondContact O-CG 3.34Å; T251-L255 PolarHBondContact O-N 2.92Å; L255-M257 VanDerWaalsContact C-N 3.33Å; L255-M257 PolarHBondContact O-N 2.88Å; L255-K258 PolarHBondContact O-N 3.5Å; L255-T259 WeakPolarHBondContact O-CB 3.26Å; L255-T259 PolarHBondContact O-N 3.46Å; L255-T259 PolarHBondContact O-OG1 3.49Å; L255-P303 HydrophobicContact CD2-CB 4.3Å; L255-E305 HydrophobicContact CD2-CB 3.61Å; L255-E305 HydrophobicContact CD2-CG 4.41Å; L255-E305 HydrophobicContact CG-CB 4.44Å; L255-W306 HydrophobicContact CB-CZ2 3.81Å; L255-W306 HydrophobicContact CD1-CD2 4.03Å; L255-W306 HydrophobicContact CD1-CE3 4.28Å; L255-W306 HydrophobicContact CD1-CG 4.44Å; L255-W306 HydrophobicContact CD1-CZ2 4.39Å; L255-W306 HydrophobicContact CD2-CD2 4.48Å; L255-W306 HydrophobicContact CD2-CG 4.23Å |
| 256 | S | 95.1 | Very high | 94.5 | Very high | 51 Ų | 51 | 39.4 Ų | 39.4 | 36% | 0.357 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.8 | -42.2 | 176.8 | -58.8 | 0 | 0 | 0 | 0 | 111.3 | K252 V253 W254 T259 I260 | K252-S256 WeakPolarHBondContact O-CB 3.48Å; K252-S256 PolarHBondContact O-N 3.35Å; K252-S256 PolarHBondContact O-OG 3.5Å; V253-S256 PolarHBondContact O-N 3.24Å; W254-S256 PolarHBondContact O-N 3.03Å; S256-T259 PolarHBondContact O-N 3.31Å; S256-I260 WeakPolarHBondContact O-CG1 3.34Å; S256-I260 PolarHBondContact O-N 2.84Å |
| 257 | M | 94.7 | Very high | 94.8 | Very high | 10 Ų | 10 | 40.1 Ų | 40.1 | 5% | 0.049 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.8 | -46.3 | 176.9 | -174.6 | 174.9 | 167 | 0 | 0 | 111.3 | F36 V253 W254 L255 T259 I260 L261 T499 Y502 | F36-M257 HydrophobicContact CB-CE 4.45Å; F36-M257 HydrophobicContact CD1-CE 3.39Å; F36-M257 HydrophobicContact CD1-SD 4.16Å; F36-M257 HydrophobicContact CE1-CE 3.7Å; F36-M257 HydrophobicContact CG-CE 3.94Å; F36-M257 HydrophobicContact CZ-CE 4.44Å; V253-M257 WeakPolarHBondContact O-CB 3.32Å; V253-M257 PolarHBondContact O-N 3.26Å; W254-M257 PolarHBondContact O-N 2.99Å; L255-M257 VanDerWaalsContact C-N 3.33Å; L255-M257 PolarHBondContact O-N 2.88Å; M257-T259 PolarHBondContact O-N 3.4Å; M257-I260 PolarHBondContact O-N 3.27Å; M257-L261 HydrophobicContact CE-CD1 3.57Å; M257-L261 HydrophobicContact CG-CD1 3.68Å; M257-L261 HydrophobicContact CG-CG 4.43Å; M257-L261 WeakPolarHBondContact O-CB 3.39Å; M257-L261 WeakPolarHBondContact O-CG 3.45Å; M257-L261 PolarHBondContact O-N 2.92Å; M257-T499 WeakPolarHBondContact CE-O 3.28Å; M257-T499 HydrophobicContact SD-CG2 4.4Å; M257-Y502 HydrophobicContact CE-CD1 3.3Å; M257-Y502 HydrophobicContact CE-CE1 3.82Å; M257-Y502 HydrophobicContact CE-CG 4.15Å; M257-Y502 HydrophobicContact CG-CD1 4.19Å; M257-Y502 HydrophobicContact CG-CE1 3.98Å; M257-Y502 HydrophobicContact SD-CD1 3.67Å; M257-Y502 HydrophobicContact SD-CE1 4.09Å |
| 258 | K | 96.1 | Very high | 95 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.017 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.6 | -47.9 | 173.8 | -69.4 | -163.1 | 174.2 | -164.2 | 0 | 112.2 | W254 L255 I260 L261 F262 I300 P303 E305 Y502 | W254-K258 WeakPolarHBondContact O-CG 3.37Å; W254-K258 PolarHBondContact O-N 2.93Å; L255-K258 PolarHBondContact O-N 3.5Å; K258-I260 VanDerWaalsContact C-N 3.27Å; K258-I260 PolarHBondContact O-N 2.93Å; K258-L261 PolarHBondContact O-N 3.29Å; K258-F262 VanDerWaalsContact O-CB 3.29Å; K258-F262 WeakPolarHBondContact O-CB 3.41Å; K258-F262 PolarHBondContact O-N 3.27Å; K258-I300 PolarHBondContact NZ-O 3.47Å; K258-P303 HydrophobicContact CB-CB 3.87Å; K258-E305 IonicContact NZ-OE1 3.93Å; K258-E305 PolarHBondContact NZ-OE1 2.93Å; K258-E305 IonicContact NZ-OE2 3.35Å; K258-Y502 HydrophobicContact CG-CE1 4.09Å; K258-Y502 WeakPolarHBondContact CG-OH 3.46Å |
| 259 | T | 96.2 | Very high | 95.2 | Very high | 63 Ų | 63 | 39.2 Ų | 39.2 | 39% | 0.387 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.3 | -35.1 | 178.9 | -60.5 | 0 | 0 | 0 | 0 | 112.8 | L255 S256 M257 P263 W306 | L255-T259 WeakPolarHBondContact O-CB 3.26Å; L255-T259 PolarHBondContact O-N 3.46Å; L255-T259 PolarHBondContact O-OG1 3.49Å; S256-T259 PolarHBondContact O-N 3.31Å; M257-T259 PolarHBondContact O-N 3.4Å; T259-P263 WeakPolarHBondContact O-CD 2.98Å; T259-W306 PolarHBondContact OG1-NE1 3.41Å |
| 260 | I | 95.6 | Very high | 95.4 | Very high | 110 Ų | 110 | 42.2 Ų | 42.2 | 56% | 0.564 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -77.1 | -41.5 | 177.6 | -67.8 | 167 | 0 | 0 | 0 | 111.5 | S256 M257 K258 P263 I264 | S256-I260 WeakPolarHBondContact O-CG1 3.34Å; S256-I260 PolarHBondContact O-N 2.84Å; M257-I260 PolarHBondContact O-N 3.27Å; K258-I260 VanDerWaalsContact C-N 3.27Å; K258-I260 PolarHBondContact O-N 2.93Å; I260-P263 WeakPolarHBondContact O-CD 3.28Å; I260-P263 WeakPolarHBondContact O-CG 3.27Å; I260-I264 HydrophobicContact CG2-CD1 4.3Å; I260-I264 WeakPolarHBondContact O-CD1 3.26Å; I260-I264 WeakPolarHBondContact O-CG1 3.26Å |
| 261 | L | 95.3 | Very high | 95.5 | Very high | 8 Ų | 8 | 45.9 Ų | 45.9 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -74.9 | -36 | -176 | -71.7 | 172.1 | 0 | 0 | 0 | 113.1 | F36 M257 K258 I264 M265 Y502 N506 | F36-L261 HydrophobicContact CE1-CD1 4.33Å; F36-L261 HydrophobicContact CE1-CD2 4.27Å; F36-L261 HydrophobicContact CZ-CD1 4.43Å; F36-L261 HydrophobicContact CZ-CD2 3.84Å; M257-L261 HydrophobicContact CE-CD1 3.57Å; M257-L261 HydrophobicContact CG-CD1 3.68Å; M257-L261 HydrophobicContact CG-CG 4.43Å; M257-L261 WeakPolarHBondContact O-CB 3.39Å; M257-L261 WeakPolarHBondContact O-CG 3.45Å; M257-L261 PolarHBondContact O-N 2.92Å; K258-L261 PolarHBondContact O-N 3.29Å; L261-I264 WeakPolarHBondContact O-CB 3.47Å; L261-I264 PolarHBondContact O-N 2.96Å; L261-I264 VanDerWaalsContact O-N 3.1Å; L261-M265 PolarHBondContact O-N 3.46Å; L261-Y502 HydrophobicContact CD1-CD1 4.47Å; L261-Y502 HydrophobicContact CD1-CE1 3.82Å; L261-N506 HydrophobicContact CD1-CB 4.34Å; L261-N506 HydrophobicContact CD2-CB 4.49Å |
| 262 | F | 96.6 | Very high | 95.4 | Very high | 51 Ų | 51 | 45.9 Ų | 45.9 | 22% | 0.224 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -51 | -54.4 | 179.7 | 178.7 | -100.8 | 0 | 0 | 0 | 114.3 | K258 I264 M265 L266 L298 D301 L302 | K258-F262 VanDerWaalsContact O-CB 3.29Å; K258-F262 WeakPolarHBondContact O-CB 3.41Å; K258-F262 PolarHBondContact O-N 3.27Å; F262-I264 VanDerWaalsContact C-N 3.28Å; F262-I264 PolarHBondContact O-N 3.21Å; F262-M265 PolarHBondContact O-N 3.46Å; F262-L266 HydrophobicContact CE1-CD2 4.24Å; F262-L266 HydrophobicContact CZ-CD2 4.49Å; F262-L266 VanDerWaalsContact O-CB 3.26Å; F262-L266 WeakPolarHBondContact O-CB 3.35Å; F262-L266 PolarHBondContact O-N 3.47Å; F262-L298 HydrophobicContact CD2-CD1 3.5Å; F262-L298 HydrophobicContact CD2-CG 4.34Å; F262-L298 HydrophobicContact CE2-CD1 3.3Å; F262-L298 HydrophobicContact CE2-CG 3.83Å; F262-L298 HydrophobicContact CG-CD1 4.38Å; F262-L298 HydrophobicContact CZ-CD1 4.04Å; F262-D301 HydrophobicContact CB-CB 4.22Å; F262-D301 HydrophobicContact CD2-CB 4.31Å; F262-L302 HydrophobicContact CD2-CB 4.19Å; F262-L302 HydrophobicContact CD2-CD1 4.14Å; F262-L302 HydrophobicContact CE1-CD1 4.35Å; F262-L302 HydrophobicContact CE2-CB 3.99Å; F262-L302 HydrophobicContact CE2-CD1 3.44Å; F262-L302 VanDerWaalsContact CE2-CD1 3.44Å; F262-L302 HydrophobicContact CE2-CG 4.32Å; F262-L302 HydrophobicContact CZ-CD1 3.58Å |
| 263 | P | 96.9 | Very high | 95.4 | Very high | 69 Ų | 69 | 46.8 Ų | 46.8 | 45% | 0.448 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.3 | -31.4 | 179.2 | 25.8 | -35 | 0 | 0 | 0 | 112.8 | T259 I260 A267 | T259-P263 WeakPolarHBondContact O-CD 2.98Å; I260-P263 WeakPolarHBondContact O-CD 3.28Å; I260-P263 WeakPolarHBondContact O-CG 3.27Å; P263-A267 WeakPolarHBondContact O-CB 3.35Å; P263-A267 PolarHBondContact O-N 3Å |
| 264 | I | 95.8 | Very high | 95.3 | Very high | 83 Ų | 83 | 52.1 Ų | 52.1 | 43% | 0.426 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.2 | -48.8 | 176.9 | -61.2 | 171.7 | 0 | 0 | 0 | 109.9 | I260 L261 F262 A267 A268 L510 | I260-I264 HydrophobicContact CG2-CD1 4.3Å; I260-I264 WeakPolarHBondContact O-CD1 3.26Å; I260-I264 WeakPolarHBondContact O-CG1 3.26Å; L261-I264 WeakPolarHBondContact O-CB 3.47Å; L261-I264 PolarHBondContact O-N 2.96Å; L261-I264 VanDerWaalsContact O-N 3.1Å; F262-I264 VanDerWaalsContact C-N 3.28Å; F262-I264 PolarHBondContact O-N 3.21Å; I264-A267 PolarHBondContact O-N 3.36Å; I264-A268 PolarHBondContact O-N 2.96Å; I264-L510 HydrophobicContact CG2-CD1 4.04Å; I264-L510 HydrophobicContact CG2-CD2 4.39Å |
| 265 | M | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 177.2 | -169.5 | 60.5 | 66.2 | 0 | 0 | 111.2 | L261 F262 A267 A268 V269 M297 L298 N506 T509 L510 L513 | L261-M265 PolarHBondContact O-N 3.46Å; F262-M265 PolarHBondContact O-N 3.46Å; M265-A267 PolarHBondContact O-N 2.99Å; M265-A268 PolarHBondContact O-N 3.24Å; M265-V269 HydrophobicContact CG-CG2 4.43Å; M265-V269 WeakPolarHBondContact O-CG2 3.5Å; M265-V269 PolarHBondContact O-N 3.29Å; M265-M297 HydrophobicContact CE-CB 4.39Å; M265-M297 HydrophobicContact CE-CG 3.68Å; M265-M297 HydrophobicContact CG-CB 4.49Å; M265-M297 HydrophobicContact CG-CG 4.48Å; M265-M297 HydrophobicContact SD-CB 4.41Å; M265-M297 HydrophobicContact SD-CG 4.32Å; M265-L298 HydrophobicContact CB-CD1 4.37Å; M265-L298 HydrophobicContact CG-CB 4.31Å; M265-L298 HydrophobicContact CG-CD1 4.48Å; M265-N506 HydrophobicContact CE-CB 4.47Å; M265-N506 WeakPolarHBondContact CE-OD1 3.29Å; M265-T509 HydrophobicContact CE-CG2 4.37Å; M265-T509 HydrophobicContact SD-CG2 4.1Å; M265-L510 HydrophobicContact CE-CD1 4.38Å; M265-L510 HydrophobicContact CE-CD2 3.92Å; M265-L510 HydrophobicContact CE-CG 3.68Å; M265-L510 HydrophobicContact SD-CD2 3.83Å; M265-L510 HydrophobicContact SD-CG 4.22Å; M265-L513 HydrophobicContact SD-CD1 4.27Å |
| 266 | L | 97.2 | Very high | 94.8 | Very high | 59 Ų | 59 | 53.2 Ų | 53.2 | 31% | 0.309 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57.8 | -48.4 | 176.1 | -179.1 | 61.4 | 0 | 0 | 0 | 111.3 | F262 A268 V269 L270 L298 | F262-L266 HydrophobicContact CE1-CD2 4.24Å; F262-L266 HydrophobicContact CZ-CD2 4.49Å; F262-L266 VanDerWaalsContact O-CB 3.26Å; F262-L266 WeakPolarHBondContact O-CB 3.35Å; F262-L266 PolarHBondContact O-N 3.47Å; L266-A268 VanDerWaalsContact C-N 3.32Å; L266-A268 PolarHBondContact O-N 3.25Å; L266-V269 PolarHBondContact O-N 3.43Å; L266-L270 HydrophobicContact CD1-CD1 4.06Å; L266-L270 HydrophobicContact CD1-CG 4.13Å; L266-L270 HydrophobicContact CG-CD1 4Å; L266-L270 HydrophobicContact CG-CG 4.44Å; L266-L270 WeakPolarHBondContact O-CB 3.27Å; L266-L270 VanDerWaalsContact O-CG 3.27Å; L266-L270 WeakPolarHBondContact O-CG 3.49Å; L266-L270 PolarHBondContact O-N 2.87Å; L266-L298 HydrophobicContact CB-CD1 3.76Å; L266-L298 HydrophobicContact CD1-CD1 4.24Å; L266-L298 HydrophobicContact CD1-CD2 3.77Å |
| 267 | A | 96.8 | Very high | 94.5 | Very high | 58 Ų | 58 | 56.1 Ų | 56.1 | 48% | 0.479 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60 | -42.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | P263 I264 M265 W271 | P263-A267 WeakPolarHBondContact O-CB 3.35Å; P263-A267 PolarHBondContact O-N 3Å; I264-A267 PolarHBondContact O-N 3.36Å; M265-A267 PolarHBondContact O-N 2.99Å; A267-W271 WeakPolarHBondContact O-CB 3.08Å; A267-W271 PolarHBondContact O-N 3.43Å |
| 268 | A | 94.9 | Very high | 94.1 | Very high | 19 Ų | 19 | 59.6 Ų | 59.6 | 16% | 0.157 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.6 | -44 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I264 M265 L266 W271 Y272 L510 L513 | I264-A268 PolarHBondContact O-N 2.96Å; M265-A268 PolarHBondContact O-N 3.24Å; L266-A268 VanDerWaalsContact C-N 3.32Å; L266-A268 PolarHBondContact O-N 3.25Å; A268-W271 PolarHBondContact O-N 3.49Å; A268-Y272 VanDerWaalsContact O-CB 3.29Å; A268-Y272 WeakPolarHBondContact O-CB 3.21Å; A268-Y272 PolarHBondContact O-N 2.94Å; A268-L510 HydrophobicContact CB-CD2 3.39Å; A268-L513 HydrophobicContact CB-CD1 4.24Å |
| 269 | V | 95.8 | Very high | 93.4 | Very high | 10 Ų | 10 | 61.4 Ų | 61.4 | 6% | 0.061 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.9 | -44 | 177.8 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | M265 L266 Y272 R273 F291 L513 | M265-V269 HydrophobicContact CG-CG2 4.43Å; M265-V269 WeakPolarHBondContact O-CG2 3.5Å; M265-V269 PolarHBondContact O-N 3.29Å; L266-V269 PolarHBondContact O-N 3.43Å; V269-Y272 PolarHBondContact O-N 3.48Å; V269-R273 WeakPolarHBondContact O-CB 3.36Å; V269-R273 PolarHBondContact O-N 3.47Å; V269-F291 HydrophobicContact CG1-CD2 4.26Å; V269-F291 HydrophobicContact CG1-CE2 3.75Å; V269-L513 HydrophobicContact CG2-CD1 3.95Å |
| 270 | L | 96.1 | Very high | 92.6 | Very high | 93 Ų | 93 | 70.9 Ų | 70.9 | 49% | 0.487 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64 | -43.7 | 176.5 | -70.5 | 177.3 | 0 | 0 | 0 | 111.7 | L266 R273 Q274 | L266-L270 HydrophobicContact CD1-CD1 4.06Å; L266-L270 HydrophobicContact CD1-CG 4.13Å; L266-L270 HydrophobicContact CG-CD1 4Å; L266-L270 HydrophobicContact CG-CG 4.44Å; L266-L270 WeakPolarHBondContact O-CB 3.27Å; L266-L270 VanDerWaalsContact O-CG 3.27Å; L266-L270 WeakPolarHBondContact O-CG 3.49Å; L266-L270 PolarHBondContact O-N 2.87Å; L270-R273 PolarHBondContact O-N 3.31Å; L270-Q274 WeakPolarHBondContact O-CB 3.43Å; L270-Q274 PolarHBondContact O-N 2.84Å |
| 271 | W | 94.3 | Very high | 92 | Very high | 87 Ų | 87 | 70 Ų | 70 | 33% | 0.33 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 175.2 | 171.3 | 84.7 | 0 | 0 | 0 | 112 | I13 A267 A268 Q274 R275 A517 | I13-W271 HydrophobicContact CD1-CH2 3.72Å; I13-W271 HydrophobicContact CD1-CZ2 4.01Å; A267-W271 WeakPolarHBondContact O-CB 3.08Å; A267-W271 PolarHBondContact O-N 3.43Å; A268-W271 PolarHBondContact O-N 3.49Å; W271-Q274 PolarHBondContact O-N 3.44Å; W271-R275 HydrophobicContact CD2-CG 4.44Å; W271-R275 HydrophobicContact CZ2-CG 4.3Å; W271-R275 WeakPolarHBondContact O-CG 3.43Å; W271-R275 PolarHBondContact O-N 2.96Å; W271-A517 HydrophobicContact CH2-CB 3.29Å; W271-A517 HydrophobicContact CZ2-CB 4.26Å; W271-A517 HydrophobicContact CZ3-CB 3.52Å |
| 272 | Y | 93.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 176.9 | -175 | -102.7 | 0 | 0 | 0 | 111.3 | A268 V269 Q274 R275 L276 E287 L290 F291 L513 A517 | A268-Y272 VanDerWaalsContact O-CB 3.29Å; A268-Y272 WeakPolarHBondContact O-CB 3.21Å; A268-Y272 PolarHBondContact O-N 2.94Å; V269-Y272 PolarHBondContact O-N 3.48Å; Y272-Q274 PolarHBondContact O-N 3.22Å; Y272-R275 WeakPolarHBondContact O-CB 3.19Å; Y272-R275 PolarHBondContact O-N 3.31Å; Y272-L276 HydrophobicContact CD1-CD1 3.88Å; Y272-L276 HydrophobicContact CD1-CG 4.27Å; Y272-L276 HydrophobicContact CE1-CD1 3.44Å; Y272-L276 VanDerWaalsContact CE1-CD1 3.44Å; Y272-L276 HydrophobicContact CE1-CD2 4.38Å; Y272-L276 HydrophobicContact CE1-CG 3.97Å; Y272-L276 WeakPolarHBondContact O-CG 3.38Å; Y272-L276 PolarHBondContact O-N 2.93Å; Y272-E287 WeakPolarHBondContact OH-CA 3.4Å; Y272-L290 HydrophobicContact CE1-CB 4.3Å; Y272-F291 HydrophobicContact CD1-CB 4.34Å; Y272-F291 HydrophobicContact CD1-CD2 4.32Å; Y272-F291 HydrophobicContact CE1-CB 4.1Å; Y272-L513 HydrophobicContact CD1-CD2 3.82Å; Y272-L513 HydrophobicContact CD2-CB 4.45Å; Y272-L513 HydrophobicContact CD2-CD2 4.13Å; Y272-L513 WeakPolarHBondContact CD2-O 3.31Å; Y272-L513 HydrophobicContact CE1-CD2 4.2Å; Y272-L513 HydrophobicContact CE2-CD2 4.5Å; Y272-L513 HydrophobicContact CG-CD2 3.79Å; Y272-A517 HydrophobicContact CD2-CB 4.03Å; Y272-A517 HydrophobicContact CE2-CB 4.24Å |
| 273 | R | 93.3 | Very high | 90.7 | Very high | 145 Ų | 145 | 74.7 Ų | 74.7 | 55% | 0.547 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.8 | -46.8 | 174.7 | -176.6 | -178.7 | 174.5 | -175.6 | -0.7 | 111.7 | V269 L270 R275 L276 V277 F291 | V269-R273 WeakPolarHBondContact O-CB 3.36Å; V269-R273 PolarHBondContact O-N 3.47Å; L270-R273 PolarHBondContact O-N 3.31Å; R273-R275 VanDerWaalsContact C-N 3.27Å; R273-R275 PolarHBondContact O-N 3.3Å; R273-L276 PolarHBondContact O-N 3.39Å; R273-L276 VanDerWaalsContact O-N 3.17Å; R273-V277 HydrophobicContact CG-CG2 4.46Å; R273-V277 WeakPolarHBondContact O-CG2 3.43Å; R273-V277 PolarHBondContact O-N 3.3Å; R273-F291 HydrophobicContact CB-CD2 4.39Å; R273-F291 HydrophobicContact CB-CE2 3.86Å; R273-F291 HydrophobicContact CG-CE2 4.18Å |
| 274 | Q | 92.7 | Very high | 90.1 | Very high | 136 Ų | 136 | 74 Ų | 74 | 64% | 0.636 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -60.4 | -39.7 | 178.8 | -171.6 | 179.5 | 7.8 | 0 | 0 | 111.4 | L270 W271 Y272 S278 | L270-Q274 WeakPolarHBondContact O-CB 3.43Å; L270-Q274 PolarHBondContact O-N 2.84Å; W271-Q274 PolarHBondContact O-N 3.44Å; Y272-Q274 PolarHBondContact O-N 3.22Å; Q274-S278 WeakPolarHBondContact O-CB 3.26Å; Q274-S278 PolarHBondContact O-N 2.86Å; Q274-S278 VanDerWaalsContact O-N 3.15Å; Q274-S278 PolarHBondContact O-OG 2.94Å |
| 275 | R | 89.5 | Confident | 89.7 | Confident | 49 Ų | 49 | 70.9 Ų | 70.9 | 19% | 0.185 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 174.1 | -76 | -88.7 | 177.5 | 145.1 | -1 | 112.4 | W271 Y272 R273 S278 P518 H520 | W271-R275 HydrophobicContact CD2-CG 4.44Å; W271-R275 HydrophobicContact CZ2-CG 4.3Å; W271-R275 WeakPolarHBondContact O-CG 3.43Å; W271-R275 PolarHBondContact O-N 2.96Å; Y272-R275 WeakPolarHBondContact O-CB 3.19Å; Y272-R275 PolarHBondContact O-N 3.31Å; R273-R275 VanDerWaalsContact C-N 3.27Å; R273-R275 PolarHBondContact O-N 3.3Å; R275-S278 PolarHBondContact O-N 3.04Å; R275-P518 WeakPolarHBondContact CD-O 3.42Å; R275-P518 PolarHBondContact NH1-O 3.13Å; R275-H520 PolarHBondContact NE-NE2 2.62Å; R275-H520 PolarHBondContact NH1-CD2 2.91Å; R275-H520 PolarHBondContact NH2-CD2 3.29Å; R275-H520 VanDerWaalsContact NH2-CD2 3.26Å; R275-H520 PolarHBondContact NH2-NE2 2.96Å |
| 276 | L | 88.2 | Confident | 89.2 | Confident | 12 Ų | 12 | 72 Ų | 72 | 6% | 0.063 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.4 | -45.6 | 178.6 | -69.7 | -177.9 | 0 | 0 | 0 | 112.3 | Y272 R273 S278 L279 E287 P518 | Y272-L276 HydrophobicContact CD1-CD1 3.88Å; Y272-L276 HydrophobicContact CD1-CG 4.27Å; Y272-L276 HydrophobicContact CE1-CD1 3.44Å; Y272-L276 VanDerWaalsContact CE1-CD1 3.44Å; Y272-L276 HydrophobicContact CE1-CD2 4.38Å; Y272-L276 HydrophobicContact CE1-CG 3.97Å; Y272-L276 WeakPolarHBondContact O-CG 3.38Å; Y272-L276 PolarHBondContact O-N 2.93Å; R273-L276 PolarHBondContact O-N 3.39Å; R273-L276 VanDerWaalsContact O-N 3.17Å; L276-S278 PolarHBondContact O-N 3.45Å; L276-L279 WeakPolarHBondContact O-CB 3.36Å; L276-L279 PolarHBondContact O-N 3.04Å; L276-E287 HydrophobicContact CD1-CB 4.3Å; L276-E287 HydrophobicContact CD2-CB 3.78Å; L276-E287 HydrophobicContact CD2-CG 3.86Å; L276-P518 HydrophobicContact CD2-CG 4.06Å |
| 277 | V | 88.6 | Confident | 88.8 | Confident | 113 Ų | 113 | 70 Ų | 70 | 69% | 0.685 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -66.9 | -26.8 | -179.2 | 175 | 0 | 0 | 0 | 0 | 112.1 | R273 L279 | R273-V277 HydrophobicContact CG-CG2 4.46Å; R273-V277 WeakPolarHBondContact O-CG2 3.43Å; R273-V277 PolarHBondContact O-N 3.3Å; V277-L279 PolarHBondContact O-N 3.4Å |
| 278 | S | 86.3 | Confident | 88.5 | Confident | 83 Ų | 83 | 73 Ų | 73 | 58% | 0.58 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -8.4 | 177.7 | -58.8 | 0 | 0 | 0 | 0 | 113.8 | Q274 R275 L276 | Q274-S278 WeakPolarHBondContact O-CB 3.26Å; Q274-S278 PolarHBondContact O-N 2.86Å; Q274-S278 VanDerWaalsContact O-N 3.15Å; Q274-S278 PolarHBondContact O-OG 2.94Å; R275-S278 PolarHBondContact O-N 3.04Å; L276-S278 PolarHBondContact O-N 3.45Å |
| 279 | L | 82.5 | Confident | 88.3 | Confident | 41 Ų | 41 | 73 Ų | 73 | 22% | 0.215 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -81 | 141.6 | 177.2 | -64.9 | 176.7 | 0 | 0 | 0 | 111.1 | L276 V277 R281 P518 | L276-L279 WeakPolarHBondContact O-CB 3.36Å; L276-L279 PolarHBondContact O-N 3.04Å; V277-L279 PolarHBondContact O-N 3.4Å; L279-R281 HydrophobicContact CB-CG 4.28Å; L279-R281 HydrophobicContact CD1-CG 4.49Å; L279-R281 PolarHBondContact O-N 3.32Å; L279-P518 HydrophobicContact CD1-CB 3.99Å; L279-P518 HydrophobicContact CD1-CG 3.57Å; L279-P518 HydrophobicContact CD2-CB 3.97Å; L279-P518 HydrophobicContact CD2-CG 4.45Å; L279-P518 HydrophobicContact CG-CB 4.3Å; L279-P518 HydrophobicContact CG-CG 4.24Å |
| 280 | R | 80 | Confident | 88.2 | Confident | 263 Ų | 263 | 72.7 Ų | 72.7 | 99% | 0.992 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -73.9 | -13.4 | 174.7 | -67.8 | -176.5 | 178.5 | -178.8 | -3.1 | 113.8 | ||
| 281 | R | 81 | Confident | 88.1 | Confident | 92 Ų | 92 | 71.6 Ų | 71.6 | 35% | 0.347 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -97.9 | 154.2 | -179.2 | 70.8 | 169.5 | -172.3 | -173.5 | -0.1 | 110.7 | L279 L284 E287 | L279-R281 HydrophobicContact CB-CG 4.28Å; L279-R281 HydrophobicContact CD1-CG 4.49Å; L279-R281 PolarHBondContact O-N 3.32Å; R281-L284 VanDerWaalsContact NH2-CD1 3.26Å; R281-E287 IonicContact CZ-OE1 3.69Å; R281-E287 IonicContact NH2-OE1 3.43Å; R281-E287 PolarHBondContact NH2-OE1 3.17Å |
| 282 | P | 83.1 | Confident | 88.1 | Confident | 113 Ų | 113 | 70 Ų | 70 | 73% | 0.734 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -62 | 148.8 | 168.2 | 27.9 | -35.2 | 0 | 0 | 0 | 111 | ||
| 283 | S | 81.9 | Confident | 88.3 | Confident | 43 Ų | 43 | 70.1 Ų | 70.1 | 30% | 0.301 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -66 | 134.1 | 178.8 | -44.4 | 0 | 0 | 0 | 0 | 111.3 | E287 K288 | S283-E287 VanDerWaalsContact CA-OE2 3.31Å; S283-E287 WeakPolarHBondContact CA-OE2 3.46Å; S283-K288 VanDerWaalsContact O-CE 3.31Å; S283-K288 WeakPolarHBondContact O-CE 3.16Å |
| 284 | L | 85.2 | Confident | 88.4 | Confident | 55 Ų | 55 | 63.2 Ų | 63.2 | 29% | 0.288 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 161.1 | 177.6 | -64.8 | 170.8 | 0 | 0 | 0 | 111.3 | R281 L286 E287 K288 N350 | R281-L284 VanDerWaalsContact NH2-CD1 3.26Å; L284-L286 VanDerWaalsContact C-N 3.3Å; L284-L286 PolarHBondContact O-N 3.48Å; L284-E287 HydrophobicContact CB-CB 4.49Å; L284-E287 HydrophobicContact CB-CG 4.17Å; L284-E287 PolarHBondContact N-OE2 3.26Å; L284-E287 PolarHBondContact O-N 2.94Å; L284-K288 WeakPolarHBondContact O-CG 3.18Å; L284-K288 PolarHBondContact O-N 2.93Å; L284-K288 VanDerWaalsContact O-N 3.08Å; L284-N350 WeakPolarHBondContact CD2-ND2 3.44Å; L284-N350 WeakPolarHBondContact CD2-OD1 3.24Å |
| 285 | L | 86.2 | Confident | 88.6 | Confident | 18 Ų | 18 | 58.7 Ų | 58.7 | 9% | 0.094 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.9 | -44.5 | 178 | -178.8 | 63.5 | 0 | 0 | 0 | 111.5 | E287 K288 C289 I337 N350 L352 Y355 | L285-E287 VanDerWaalsContact C-N 3.33Å; L285-E287 PolarHBondContact O-N 3.4Å; L285-K288 WeakPolarHBondContact O-CB 2.98Å; L285-K288 PolarHBondContact O-N 3.36Å; L285-C289 PolarHBondContact O-N 3.15Å; L285-C289 PolarHBondContact O-SG 2.75Å; L285-C289 VanDerWaalsContact O-SG 3.32Å; L285-I337 HydrophobicContact CD2-CG2 3.88Å; L285-I337 HydrophobicContact CG-CG2 4.02Å; L285-N350 PolarHBondContact N-OD1 2.85Å; L285-L352 HydrophobicContact CD1-CB 4.32Å; L285-L352 HydrophobicContact CD1-CD1 4.22Å; L285-Y355 HydrophobicContact CD2-CD2 3.94Å; L285-Y355 HydrophobicContact CD2-CE2 3.74Å |
| 286 | L | 86.2 | Confident | 88.9 | Confident | 24 Ų | 24 | 56.9 Ų | 56.9 | 13% | 0.126 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.9 | -39.2 | 178.7 | -173.9 | 67 | 0 | 0 | 0 | 112.9 | L284 K288 C289 L290 F334 F338 Y516 | L284-L286 VanDerWaalsContact C-N 3.3Å; L284-L286 PolarHBondContact O-N 3.48Å; L286-K288 VanDerWaalsContact C-N 3.34Å; L286-C289 PolarHBondContact O-N 2.99Å; L286-L290 HydrophobicContact CG-CD1 4.33Å; L286-L290 WeakPolarHBondContact O-CB 3.39Å; L286-L290 WeakPolarHBondContact O-CG 3.35Å; L286-L290 PolarHBondContact O-N 3.38Å; L286-F334 HydrophobicContact CD1-CD2 4.33Å; L286-F334 HydrophobicContact CD1-CE2 3.86Å; L286-F338 HydrophobicContact CD1-CB 4.23Å; L286-F338 HydrophobicContact CD1-CD2 3.84Å; L286-F338 HydrophobicContact CD2-CD2 4.21Å; L286-F338 HydrophobicContact CD2-CE2 4.48Å; L286-Y516 HydrophobicContact CD2-CD1 4.17Å; L286-Y516 HydrophobicContact CD2-CE1 4.24Å |
| 287 | E | 89 | Confident | 89.3 | Confident | 15 Ų | 15 | 56.4 Ų | 56.4 | 7% | 0.07 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.7 | -39 | 177.6 | -67.5 | 170 | 171.9 | 0 | 0 | 111.1 | Y272 L276 R281 S283 L284 L285 F291 | Y272-E287 WeakPolarHBondContact OH-CA 3.4Å; L276-E287 HydrophobicContact CD1-CB 4.3Å; L276-E287 HydrophobicContact CD2-CB 3.78Å; L276-E287 HydrophobicContact CD2-CG 3.86Å; R281-E287 IonicContact CZ-OE1 3.69Å; R281-E287 IonicContact NH2-OE1 3.43Å; R281-E287 PolarHBondContact NH2-OE1 3.17Å; S283-E287 VanDerWaalsContact CA-OE2 3.31Å; S283-E287 WeakPolarHBondContact CA-OE2 3.46Å; L284-E287 HydrophobicContact CB-CB 4.49Å; L284-E287 HydrophobicContact CB-CG 4.17Å; L284-E287 PolarHBondContact N-OE2 3.26Å; L284-E287 PolarHBondContact O-N 2.94Å; L285-E287 VanDerWaalsContact C-N 3.33Å; L285-E287 PolarHBondContact O-N 3.4Å; E287-F291 WeakPolarHBondContact O-CB 3.44Å; E287-F291 PolarHBondContact O-N 2.99Å |
| 288 | K | 90.8 | Very high | 89.7 | Confident | 122 Ų | 122 | 52.5 Ų | 52.5 | 53% | 0.53 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 174.2 | -67.6 | 173.7 | -179.4 | 174.1 | 0 | 111.8 | S283 L284 L285 L286 F291 C292 | S283-K288 VanDerWaalsContact O-CE 3.31Å; S283-K288 WeakPolarHBondContact O-CE 3.16Å; L284-K288 WeakPolarHBondContact O-CG 3.18Å; L284-K288 PolarHBondContact O-N 2.93Å; L284-K288 VanDerWaalsContact O-N 3.08Å; L285-K288 WeakPolarHBondContact O-CB 2.98Å; L285-K288 PolarHBondContact O-N 3.36Å; L286-K288 VanDerWaalsContact C-N 3.34Å; K288-F291 PolarHBondContact O-N 3.31Å; K288-C292 WeakPolarHBondContact O-CB 3.37Å; K288-C292 PolarHBondContact O-N 2.97Å |
| 289 | C | 91.4 | Very high | 90.1 | Very high | 20 Ų | 20 | 51.4 Ų | 51.4 | 14% | 0.135 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 176.6 | -67.9 | 0 | 0 | 0 | 0 | 112.1 | L285 L286 C292 L293 F334 I337 | L285-C289 PolarHBondContact O-N 3.15Å; L285-C289 PolarHBondContact O-SG 2.75Å; L285-C289 VanDerWaalsContact O-SG 3.32Å; L286-C289 PolarHBondContact O-N 2.99Å; C289-C292 WeakPolarHBondContact O-CB 3.39Å; C289-C292 PolarHBondContact O-N 2.96Å; C289-L293 PolarHBondContact O-N 3.39Å; C289-F334 HydrophobicContact CB-CD2 4.39Å; C289-I337 WeakPolarHBondContact SG-CD1 3.36Å |
| 290 | L | 92.6 | Very high | 90.7 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.016 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 175.7 | -77.3 | 169.9 | 0 | 0 | 0 | 112.5 | Y272 L286 C292 L293 G294 F334 L512 Y516 | Y272-L290 HydrophobicContact CE1-CB 4.3Å; L286-L290 HydrophobicContact CG-CD1 4.33Å; L286-L290 WeakPolarHBondContact O-CB 3.39Å; L286-L290 WeakPolarHBondContact O-CG 3.35Å; L286-L290 PolarHBondContact O-N 3.38Å; L290-C292 VanDerWaalsContact C-N 3.31Å; L290-C292 PolarHBondContact O-N 3.43Å; L290-L293 PolarHBondContact O-N 2.88Å; L290-G294 PolarHBondContact O-N 3.02Å; L290-F334 HydrophobicContact CD2-CD2 4.16Å; L290-F334 HydrophobicContact CD2-CE2 3.42Å; L290-F334 VanDerWaalsContact CD2-CE2 3.42Å; L290-F334 HydrophobicContact CD2-CZ 3.82Å; L290-F334 HydrophobicContact CG-CD2 4.44Å; L290-F334 HydrophobicContact CG-CE2 3.83Å; L290-L512 HydrophobicContact CD2-CB 3.87Å; L290-L512 HydrophobicContact CD2-CD1 4.09Å; L290-L512 HydrophobicContact CD2-CD2 4.32Å; L290-L512 HydrophobicContact CD2-CG 4.35Å; L290-Y516 HydrophobicContact CD1-CD1 4.33Å; L290-Y516 HydrophobicContact CD1-CG 3.85Å |
| 291 | F | 94.3 | Very high | 91.5 | Very high | 70 Ų | 70 | 37.7 Ų | 37.7 | 31% | 0.307 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.6 | -42.5 | 172.9 | -179.9 | -106.5 | 0 | 0 | 0 | 111.4 | V269 Y272 R273 E287 K288 G294 A295 | V269-F291 HydrophobicContact CG1-CD2 4.26Å; V269-F291 HydrophobicContact CG1-CE2 3.75Å; Y272-F291 HydrophobicContact CD1-CB 4.34Å; Y272-F291 HydrophobicContact CD1-CD2 4.32Å; Y272-F291 HydrophobicContact CE1-CB 4.1Å; R273-F291 HydrophobicContact CB-CD2 4.39Å; R273-F291 HydrophobicContact CB-CE2 3.86Å; R273-F291 HydrophobicContact CG-CE2 4.18Å; E287-F291 WeakPolarHBondContact O-CB 3.44Å; E287-F291 PolarHBondContact O-N 2.99Å; K288-F291 PolarHBondContact O-N 3.31Å; F291-G294 PolarHBondContact O-N 2.96Å; F291-A295 WeakPolarHBondContact O-CB 3.28Å; F291-A295 PolarHBondContact O-N 2.84Å |
| 292 | C | 95.2 | Very high | 92.2 | Very high | 54 Ų | 54 | 36.3 Ų | 36.3 | 37% | 0.365 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.9 | -43.9 | 175.3 | -168.3 | 0 | 0 | 0 | 0 | 112.2 | K288 C289 L290 G294 A295 V296 V330 | K288-C292 WeakPolarHBondContact O-CB 3.37Å; K288-C292 PolarHBondContact O-N 2.97Å; C289-C292 WeakPolarHBondContact O-CB 3.39Å; C289-C292 PolarHBondContact O-N 2.96Å; L290-C292 VanDerWaalsContact C-N 3.31Å; L290-C292 PolarHBondContact O-N 3.43Å; C292-G294 VanDerWaalsContact C-N 3.34Å; C292-G294 PolarHBondContact O-N 2.89Å; C292-A295 PolarHBondContact O-N 3.36Å; C292-V296 WeakPolarHBondContact O-CG2 3.45Å; C292-V296 PolarHBondContact O-N 3.22Å; C292-V330 HydrophobicContact CB-CG1 4.34Å |
| 293 | L | 95.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.8 | -45.1 | 176.7 | -176.3 | 66.8 | 0 | 0 | 0 | 111.2 | C289 L290 V296 M297 F327 V330 L331 F334 T509 L512 | C289-L293 PolarHBondContact O-N 3.39Å; L290-L293 PolarHBondContact O-N 2.88Å; L293-V296 PolarHBondContact O-N 3.01Å; L293-M297 WeakPolarHBondContact O-CB 3.48Å; L293-M297 PolarHBondContact O-N 2.85Å; L293-F327 HydrophobicContact CD1-CD2 4.21Å; L293-F327 HydrophobicContact CD1-CE2 3.81Å; L293-V330 HydrophobicContact CB-CG1 4.09Å; L293-V330 HydrophobicContact CD1-CG1 4.09Å; L293-L331 HydrophobicContact CD1-CB 4.18Å; L293-L331 HydrophobicContact CD1-CD1 4.18Å; L293-F334 HydrophobicContact CD2-CD1 4.3Å; L293-F334 HydrophobicContact CD2-CG 4.4Å; L293-T509 HydrophobicContact CG-CG2 4.31Å; L293-L512 HydrophobicContact CD2-CD1 3.79Å |
| 294 | G | 96.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.3 | -40.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L290 F291 C292 M297 L298 | L290-G294 PolarHBondContact O-N 3.02Å; F291-G294 PolarHBondContact O-N 2.96Å; C292-G294 VanDerWaalsContact C-N 3.34Å; C292-G294 PolarHBondContact O-N 2.89Å; G294-M297 PolarHBondContact O-N 3.44Å; G294-L298 WeakPolarHBondContact O-CB 3.46Å; G294-L298 PolarHBondContact O-N 2.94Å |
| 295 | A | 96.3 | Very high | 93.6 | Very high | 41 Ų | 41 | 29 Ų | 29 | 34% | 0.339 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -66.6 | -37.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F291 C292 L298 L299 | F291-A295 WeakPolarHBondContact O-CB 3.28Å; F291-A295 PolarHBondContact O-N 2.84Å; C292-A295 PolarHBondContact O-N 3.36Å; A295-L298 WeakPolarHBondContact O-CB 3.46Å; A295-L299 PolarHBondContact O-N 3.49Å |
| 296 | V | 96.7 | Very high | 93.9 | Very high | 12 Ų | 12 | 31.6 Ų | 31.6 | 7% | 0.073 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -74.9 | -36 | 176.3 | 177.7 | 0 | 0 | 0 | 0 | 111.6 | C292 L293 L298 L299 I300 L326 F327 V330 | C292-V296 WeakPolarHBondContact O-CG2 3.45Å; C292-V296 PolarHBondContact O-N 3.22Å; L293-V296 PolarHBondContact O-N 3.01Å; V296-L298 VanDerWaalsContact C-N 3.3Å; V296-L298 PolarHBondContact O-N 3.3Å; V296-L299 WeakPolarHBondContact O-CB 3.43Å; V296-L299 PolarHBondContact O-N 3.44Å; V296-L299 VanDerWaalsContact O-N 3.1Å; V296-I300 PolarHBondContact O-N 2.94Å; V296-I300 VanDerWaalsContact O-N 3.12Å; V296-L326 HydrophobicContact CG1-CB 4.28Å; V296-L326 HydrophobicContact CG1-CD2 4.18Å; V296-L326 HydrophobicContact CG1-CG 3.89Å; V296-L326 HydrophobicContact CG2-CD2 4.03Å; V296-L326 HydrophobicContact CG2-CG 4.03Å; V296-F327 VanDerWaalsContact CG1-CA 3.43Å; V296-F327 HydrophobicContact CG1-CB 3.75Å; V296-F327 HydrophobicContact CG1-CD2 4.42Å; V296-V330 HydrophobicContact CG2-CG2 4.03Å |
| 297 | M | 96.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.4 | -43.3 | 171.5 | -164.2 | 67 | -160 | 0 | 0 | 111.3 | M265 L293 G294 L299 I300 D301 F327 Y502 W505 N506 T509 | M265-M297 HydrophobicContact CE-CB 4.39Å; M265-M297 HydrophobicContact CE-CG 3.68Å; M265-M297 HydrophobicContact CG-CB 4.49Å; M265-M297 HydrophobicContact CG-CG 4.48Å; M265-M297 HydrophobicContact SD-CB 4.41Å; M265-M297 HydrophobicContact SD-CG 4.32Å; L293-M297 WeakPolarHBondContact O-CB 3.48Å; L293-M297 PolarHBondContact O-N 2.85Å; G294-M297 PolarHBondContact O-N 3.44Å; M297-L299 PolarHBondContact O-N 2.78Å; M297-I300 WeakPolarHBondContact O-CB 3.27Å; M297-I300 PolarHBondContact O-N 3.31Å; M297-I300 VanDerWaalsContact O-N 3.09Å; M297-D301 VanDerWaalsContact O-CG 3.27Å; M297-D301 PolarHBondContact O-N 3.48Å; M297-F327 HydrophobicContact CB-CE2 4.49Å; M297-F327 HydrophobicContact SD-CD2 3.95Å; M297-F327 HydrophobicContact SD-CE2 3.49Å; M297-F327 WeakPolarHBondContact SD-CE2 3.35Å; M297-F327 HydrophobicContact SD-CZ 3.97Å; M297-Y502 HydrophobicContact CE-CD2 4.46Å; M297-Y502 HydrophobicContact CE-CE2 4.08Å; M297-W505 HydrophobicContact CE-CB 4.28Å; M297-N506 HydrophobicContact CE-CB 4.09Å; M297-N506 WeakPolarHBondContact CE-ND2 3.16Å; M297-T509 HydrophobicContact CB-CG2 4.01Å; M297-T509 HydrophobicContact CG-CG2 4.29Å |
| 298 | L | 96.2 | Very high | 94.4 | Very high | 30 Ų | 30 | 34.1 Ų | 34.1 | 16% | 0.157 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.9 | -35.4 | 173.4 | -178.3 | 68.8 | 0 | 0 | 0 | 112.7 | F262 M265 L266 G294 A295 V296 D301 L302 | F262-L298 HydrophobicContact CD2-CD1 3.5Å; F262-L298 HydrophobicContact CD2-CG 4.34Å; F262-L298 HydrophobicContact CE2-CD1 3.3Å; F262-L298 HydrophobicContact CE2-CG 3.83Å; F262-L298 HydrophobicContact CG-CD1 4.38Å; F262-L298 HydrophobicContact CZ-CD1 4.04Å; M265-L298 HydrophobicContact CB-CD1 4.37Å; M265-L298 HydrophobicContact CG-CB 4.31Å; M265-L298 HydrophobicContact CG-CD1 4.48Å; L266-L298 HydrophobicContact CB-CD1 3.76Å; L266-L298 HydrophobicContact CD1-CD1 4.24Å; L266-L298 HydrophobicContact CD1-CD2 3.77Å; G294-L298 WeakPolarHBondContact O-CB 3.46Å; G294-L298 PolarHBondContact O-N 2.94Å; A295-L298 WeakPolarHBondContact O-CB 3.46Å; V296-L298 VanDerWaalsContact C-N 3.3Å; V296-L298 PolarHBondContact O-N 3.3Å; L298-D301 PolarHBondContact O-N 3.38Å; L298-L302 PolarHBondContact O-N 3.09Å |
| 299 | L | 95.6 | Very high | 94.4 | Very high | 61 Ų | 61 | 29.4 Ų | 29.4 | 32% | 0.319 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -68.9 | -36.7 | 176.2 | -178.2 | 65.5 | 0 | 0 | 0 | 112.3 | A295 V296 M297 L302 R323 L326 | A295-L299 PolarHBondContact O-N 3.49Å; V296-L299 WeakPolarHBondContact O-CB 3.43Å; V296-L299 PolarHBondContact O-N 3.44Å; V296-L299 VanDerWaalsContact O-N 3.1Å; M297-L299 PolarHBondContact O-N 2.78Å; L299-L302 WeakPolarHBondContact O-CB 3.45Å; L299-R323 HydrophobicContact CD2-CG 4.03Å; L299-R323 HydrophobicContact CG-CG 3.89Å; L299-R323 VanDerWaalsContact O-CD 3.29Å; L299-R323 WeakPolarHBondContact O-CD 3.1Å; L299-L326 HydrophobicContact CD2-CD2 4.1Å |
| 300 | I | 95.3 | Very high | 94.4 | Very high | 16 Ų | 16 | 36.1 Ų | 36.1 | 8% | 0.082 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.6 | -44.5 | 173.2 | -71.7 | -178.5 | 0 | 0 | 0 | 111 | K258 V296 M297 L302 R323 F327 Y502 | K258-I300 PolarHBondContact NZ-O 3.47Å; V296-I300 PolarHBondContact O-N 2.94Å; V296-I300 VanDerWaalsContact O-N 3.12Å; M297-I300 WeakPolarHBondContact O-CB 3.27Å; M297-I300 PolarHBondContact O-N 3.31Å; M297-I300 VanDerWaalsContact O-N 3.09Å; I300-L302 PolarHBondContact O-N 3.22Å; I300-R323 HydrophobicContact CG1-CB 4.14Å; I300-F327 HydrophobicContact CD1-CB 3.29Å; I300-F327 HydrophobicContact CD1-CD1 4.14Å; I300-F327 HydrophobicContact CD1-CD2 4.18Å; I300-F327 HydrophobicContact CD1-CG 3.63Å; I300-F327 HydrophobicContact CG1-CB 4.38Å; I300-Y502 HydrophobicContact CG2-CE2 3.79Å |
| 301 | D | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.4 | -18.4 | -178 | -61.7 | -24.5 | 0 | 0 | 0 | 112.4 | F262 M297 L298 P303 Y502 N506 | F262-D301 HydrophobicContact CB-CB 4.22Å; F262-D301 HydrophobicContact CD2-CB 4.31Å; M297-D301 VanDerWaalsContact O-CG 3.27Å; M297-D301 PolarHBondContact O-N 3.48Å; L298-D301 PolarHBondContact O-N 3.38Å; D301-P303 VanDerWaalsContact O-CD 3.22Å; D301-P303 WeakPolarHBondContact O-CD 3.49Å; D301-P303 VanDerWaalsContact O-N 3.1Å; D301-Y502 WeakPolarHBondContact OD1-CE2 3.46Å; D301-Y502 VanDerWaalsContact OD1-CZ 3.26Å; D301-Y502 PolarHBondContact OD1-OH 2.87Å; D301-N506 PolarHBondContact OD1-ND2 3.49Å; D301-N506 PolarHBondContact OD2-OD1 3.43Å |
| 302 | L | 95.4 | Very high | 94.1 | Very high | 62 Ų | 62 | 44.7 Ų | 44.7 | 33% | 0.325 | 22% | 0.216 | S | C | . | . | trans | -60.1 | 113.8 | 176.2 | -174.5 | 70.1 | 0 | 0 | 0 | 109.4 | F262 L298 L299 I300 I304 R323 | F262-L302 HydrophobicContact CD2-CB 4.19Å; F262-L302 HydrophobicContact CD2-CD1 4.14Å; F262-L302 HydrophobicContact CE1-CD1 4.35Å; F262-L302 HydrophobicContact CE2-CB 3.99Å; F262-L302 HydrophobicContact CE2-CD1 3.44Å; F262-L302 VanDerWaalsContact CE2-CD1 3.44Å; F262-L302 HydrophobicContact CE2-CG 4.32Å; F262-L302 HydrophobicContact CZ-CD1 3.58Å; L298-L302 PolarHBondContact O-N 3.09Å; L299-L302 WeakPolarHBondContact O-CB 3.45Å; I300-L302 PolarHBondContact O-N 3.22Å; L302-I304 HydrophobicContact CB-CG2 4.25Å; L302-I304 HydrophobicContact CD2-CG2 3.37Å; L302-I304 HydrophobicContact CG-CG2 3.49Å; L302-I304 VanDerWaalsContact CG-CG2 3.49Å; L302-I304 PolarHBondContact O-N 2.85Å; L302-R323 PolarHBondContact O-NH1 2.98Å; L302-R323 VanDerWaalsContact O-NH1 3.14Å | ||
| 303 | P | 94.9 | Very high | 93.9 | Very high | 24 Ų | 24 | 43.5 Ų | 43.5 | 16% | 0.156 | 21% | 0.205 | C | C | . | . | trans | -85.8 | 57.2 | -169.1 | 38.5 | -38.9 | 0 | 0 | 0 | 110.3 | L255 K258 D301 E305 W306 | L255-P303 HydrophobicContact CD2-CB 4.3Å; K258-P303 HydrophobicContact CB-CB 3.87Å; D301-P303 VanDerWaalsContact O-CD 3.22Å; D301-P303 WeakPolarHBondContact O-CD 3.49Å; D301-P303 VanDerWaalsContact O-N 3.1Å; P303-E305 WeakPolarHBondContact CA-OE2 3.24Å; P303-E305 PolarHBondContact O-N 3.36Å; P303-W306 WeakPolarHBondContact O-CB 3.34Å; P303-W306 VanDerWaalsContact O-CD1 3.26Å; P303-W306 PolarHBondContact O-N 3.28Å | ||
| 304 | I | 93.1 | Very high | 93.6 | Very high | 28 Ų | 28 | 45.6 Ų | 45.6 | 14% | 0.144 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -63.8 | -23 | -177.4 | 78 | 148.1 | 0 | 0 | 0 | 112 | L302 W306 L307 M316 F319 | L302-I304 HydrophobicContact CB-CG2 4.25Å; L302-I304 HydrophobicContact CD2-CG2 3.37Å; L302-I304 HydrophobicContact CG-CG2 3.49Å; L302-I304 VanDerWaalsContact CG-CG2 3.49Å; L302-I304 PolarHBondContact O-N 2.85Å; I304-W306 PolarHBondContact O-N 2.94Å; I304-W306 VanDerWaalsContact O-N 3.11Å; I304-L307 VanDerWaalsContact O-CB 3.27Å; I304-L307 WeakPolarHBondContact O-CB 3.3Å; I304-L307 WeakPolarHBondContact O-CG 3.42Å; I304-L307 PolarHBondContact O-N 2.9Å; I304-M316 HydrophobicContact CD1-CE 3.71Å; I304-M316 HydrophobicContact CD1-SD 3.78Å; I304-M316 HydrophobicContact CG1-CE 3.51Å; I304-M316 HydrophobicContact CG1-SD 3.92Å; I304-F319 HydrophobicContact CD1-CD1 3.31Å; I304-F319 HydrophobicContact CD1-CE1 3.18Å; I304-F319 HydrophobicContact CD1-CG 4.31Å; I304-F319 HydrophobicContact CD1-CZ 4.12Å; I304-F319 HydrophobicContact CG1-CD1 4.18Å; I304-F319 HydrophobicContact CG1-CE1 3.9Å |
| 305 | E | 91.9 | Very high | 93.4 | Very high | 6 Ų | 6 | 49.9 Ų | 49.9 | 3% | 0.028 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -60.3 | -21.9 | -179.8 | -61.3 | 74.9 | 174.7 | 0 | 0 | 111.3 | L255 K258 P303 L307 S308 M316 R323 | L255-E305 HydrophobicContact CD2-CB 3.61Å; L255-E305 HydrophobicContact CD2-CG 4.41Å; L255-E305 HydrophobicContact CG-CB 4.44Å; K258-E305 IonicContact NZ-OE1 3.93Å; K258-E305 PolarHBondContact NZ-OE1 2.93Å; K258-E305 IonicContact NZ-OE2 3.35Å; P303-E305 WeakPolarHBondContact CA-OE2 3.24Å; P303-E305 PolarHBondContact O-N 3.36Å; E305-L307 PolarHBondContact O-N 3.24Å; E305-S308 WeakPolarHBondContact O-CB 3.36Å; E305-S308 PolarHBondContact O-N 3.47Å; E305-S308 PolarHBondContact O-OG 3.39Å; E305-M316 HydrophobicContact CB-CE 4.32Å; E305-M316 HydrophobicContact CG-CE 3.4Å; E305-M316 VanDerWaalsContact CG-CE 3.4Å; E305-M316 HydrophobicContact CG-CG 4.49Å; E305-M316 HydrophobicContact CG-SD 4.12Å; E305-R323 IonicContact OE1-CZ 3.14Å; E305-R323 IonicContact OE1-NH1 2.69Å; E305-R323 IonicContact OE1-NH2 3.69Å; E305-R323 PolarHBondContact OE1-NH2 3.02Å; E305-R323 IonicContact OE2-NH1 2.81Å |
| 306 | W | 94 | Very high | 93.1 | Very high | 72 Ų | 72 | 48.5 Ų | 48.5 | 27% | 0.273 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -52.8 | -41.5 | 169.3 | -82.3 | 115.5 | 0 | 0 | 0 | 111.2 | W123 L255 T259 P303 I304 S308 L309 W310 | W123-W306 AromaticContact CH2-CH2 3.76Å; W123-W306 HydrophobicContact CH2-CH2 3.76Å; W123-W306 AromaticContact CH2-CZ3 3.52Å; W123-W306 HydrophobicContact CH2-CZ3 3.52Å; W123-W306 HydrophobicContact CZ2-CZ3 4.34Å; W123-W306 HydrophobicContact CZ3-CH2 4.34Å; W123-W306 HydrophobicContact CZ3-CZ3 4.22Å; L255-W306 HydrophobicContact CB-CZ2 3.81Å; L255-W306 HydrophobicContact CD1-CD2 4.03Å; L255-W306 HydrophobicContact CD1-CE3 4.28Å; L255-W306 HydrophobicContact CD1-CG 4.44Å; L255-W306 HydrophobicContact CD1-CZ2 4.39Å; L255-W306 HydrophobicContact CD2-CD2 4.48Å; L255-W306 HydrophobicContact CD2-CG 4.23Å; T259-W306 PolarHBondContact OG1-NE1 3.41Å; P303-W306 WeakPolarHBondContact O-CB 3.34Å; P303-W306 VanDerWaalsContact O-CD1 3.26Å; P303-W306 PolarHBondContact O-N 3.28Å; I304-W306 PolarHBondContact O-N 2.94Å; I304-W306 VanDerWaalsContact O-N 3.11Å; W306-S308 PolarHBondContact O-N 3.32Å; W306-L309 HydrophobicContact CE3-CD1 3.63Å; W306-L309 HydrophobicContact CZ3-CD1 3.76Å; W306-L309 WeakPolarHBondContact O-CB 3.39Å; W306-L309 PolarHBondContact O-N 3.48Å; W306-W310 HydrophobicContact CB-CZ3 4.06Å; W306-W310 HydrophobicContact CE3-CH2 4.14Å; W306-W310 HydrophobicContact CE3-CZ3 4.33Å; W306-W310 WeakPolarHBondContact O-CZ3 3.48Å |
| 307 | L | 93.2 | Very high | 92.8 | Very high | 81 Ų | 81 | 49.9 Ų | 49.9 | 42% | 0.424 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -61.1 | -28.5 | -179.7 | -59.9 | 176.2 | 0 | 0 | 0 | 112.8 | I304 E305 L309 W310 F311 M313 | I304-L307 VanDerWaalsContact O-CB 3.27Å; I304-L307 WeakPolarHBondContact O-CB 3.3Å; I304-L307 WeakPolarHBondContact O-CG 3.42Å; I304-L307 PolarHBondContact O-N 2.9Å; E305-L307 PolarHBondContact O-N 3.24Å; L307-L309 PolarHBondContact O-N 3.47Å; L307-W310 PolarHBondContact O-N 3.28Å; L307-W310 VanDerWaalsContact O-N 3.08Å; L307-F311 HydrophobicContact CB-CD2 4.43Å; L307-F311 PolarHBondContact O-N 3.03Å; L307-M313 HydrophobicContact CB-CE 3.47Å; L307-M313 VanDerWaalsContact CB-CE 3.47Å; L307-M313 HydrophobicContact CB-SD 3.89Å; L307-M313 HydrophobicContact CD1-CE 4.03Å; L307-M313 HydrophobicContact CG-CE 4.38Å |
| 308 | S | 91.5 | Very high | 92.6 | Very high | 11 Ų | 11 | 51.8 Ų | 51.8 | 8% | 0.077 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -63.9 | -19.8 | 177.1 | 73.8 | 0 | 0 | 0 | 0 | 113.5 | E305 W306 W310 F311 | E305-S308 WeakPolarHBondContact O-CB 3.36Å; E305-S308 PolarHBondContact O-N 3.47Å; E305-S308 PolarHBondContact O-OG 3.39Å; W306-S308 PolarHBondContact O-N 3.32Å; S308-W310 VanDerWaalsContact C-N 3.33Å; S308-F311 CarbonylContact C-O 3.48Å; S308-F311 WeakPolarHBondContact CA-O 3.36Å |
| 309 | L | 91.5 | Very high | 92.5 | Very high | 23 Ų | 23 | 53.2 Ų | 53.2 | 12% | 0.12 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -72.8 | -27.8 | 175.1 | -59.2 | -177.9 | 0 | 0 | 0 | 112.2 | R122 W123 W306 L307 | R122-L309 HydrophobicContact CB-CD2 3.99Å; R122-L309 WeakPolarHBondContact CD-O 3.44Å; R122-L309 PolarHBondContact NH1-O 2.96Å; W123-L309 HydrophobicContact CD2-CD1 4.31Å; W123-L309 HydrophobicContact CD2-CD2 4Å; W123-L309 HydrophobicContact CE3-CD1 4.28Å; W123-L309 HydrophobicContact CE3-CD2 4.22Å; W123-L309 HydrophobicContact CG-CD2 4.27Å; W123-L309 HydrophobicContact CH2-CD1 3.66Å; W123-L309 HydrophobicContact CZ2-CD1 3.66Å; W123-L309 HydrophobicContact CZ3-CD1 3.97Å; W306-L309 HydrophobicContact CE3-CD1 3.63Å; W306-L309 HydrophobicContact CZ3-CD1 3.76Å; W306-L309 WeakPolarHBondContact O-CB 3.39Å; W306-L309 PolarHBondContact O-N 3.48Å; L307-L309 PolarHBondContact O-N 3.47Å |
| 310 | W | 91 | Very high | 92.3 | Very high | 161 Ų | 161 | 51.5 Ų | 51.5 | 61% | 0.61 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103 | -38.3 | -179.3 | -65.4 | -81.1 | 0 | 0 | 0 | 112.6 | R122 W306 L307 S308 | R122-W310 PolarHBondContact NH1-O 3.18Å; W306-W310 HydrophobicContact CB-CZ3 4.06Å; W306-W310 HydrophobicContact CE3-CH2 4.14Å; W306-W310 HydrophobicContact CE3-CZ3 4.33Å; W306-W310 WeakPolarHBondContact O-CZ3 3.48Å; L307-W310 PolarHBondContact O-N 3.28Å; L307-W310 VanDerWaalsContact O-N 3.08Å; S308-W310 VanDerWaalsContact C-N 3.33Å |
| 311 | F | 91.3 | Very high | 92.1 | Very high | 123 Ų | 123 | 52 Ų | 52 | 54% | 0.539 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -115.5 | 142.3 | -175.1 | -57 | -74.1 | 0 | 0 | 0 | 111.2 | L307 S308 M313 | L307-F311 HydrophobicContact CB-CD2 4.43Å; L307-F311 PolarHBondContact O-N 3.03Å; S308-F311 CarbonylContact C-O 3.48Å; S308-F311 WeakPolarHBondContact CA-O 3.36Å; F311-M313 HydrophobicContact CB-CE 3.98Å; F311-M313 HydrophobicContact CB-CG 4.35Å; F311-M313 HydrophobicContact CD2-CE 4.33Å; F311-M313 PolarHBondContact O-N 3.42Å |
| 312 | R | 89.4 | Confident | 92 | Very high | 130 Ų | 130 | 56 Ų | 56 | 49% | 0.491 | 26% | 0.263 | S | S | . | . | trans | -69.2 | 115.2 | 171.9 | 171.6 | 160.4 | -179.8 | -160.3 | -8.2 | 110 | D210 Y211 | D210-R312 WeakPolarHBondContact OD1-CA 3.38Å; D210-R312 WeakPolarHBondContact OD2-CD 3.39Å; D210-R312 WeakPolarHBondContact OD2-CG 3.22Å; D210-R312 IonicContact OD2-NE 2.69Å; D210-R312 PolarHBondContact OD2-NE 2.77Å; Y211-R312 PolarHBondContact OH-NH1 2.88Å | ||
| 313 | M | 90.8 | Very high | 92 | Very high | 29 Ų | 29 | 53.3 Ų | 53.3 | 14% | 0.143 | 25% | 0.249 | C | C | . | . | trans | -131.1 | 75.8 | -176.2 | -67.1 | -170.6 | 174.5 | 0 | 0 | 111 | L307 F311 F315 M316 | L307-M313 HydrophobicContact CB-CE 3.47Å; L307-M313 VanDerWaalsContact CB-CE 3.47Å; L307-M313 HydrophobicContact CB-SD 3.89Å; L307-M313 HydrophobicContact CD1-CE 4.03Å; L307-M313 HydrophobicContact CG-CE 4.38Å; F311-M313 HydrophobicContact CB-CE 3.98Å; F311-M313 HydrophobicContact CB-CG 4.35Å; F311-M313 HydrophobicContact CD2-CE 4.33Å; F311-M313 PolarHBondContact O-N 3.42Å; M313-F315 HydrophobicContact CB-CE1 4.11Å; M313-F315 HydrophobicContact CB-CZ 4.21Å; M313-F315 HydrophobicContact CG-CE1 4.21Å; M313-F315 HydrophobicContact CG-CZ 4.16Å; M313-F315 PolarHBondContact O-N 2.97Å; M313-F315 VanDerWaalsContact O-N 3.11Å; M313-F315 HydrophobicContact SD-CZ 4.2Å; M313-M316 WeakPolarHBondContact O-CB 3.17Å; M313-M316 PolarHBondContact O-N 3.24Å; M313-M316 VanDerWaalsContact O-N 3.13Å | ||
| 314 | P | 89.2 | Confident | 91.9 | Very high | 45 Ų | 45 | 55.6 Ų | 55.6 | 29% | 0.292 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -17.3 | -176.4 | 26.6 | -35.4 | 0 | 0 | 0 | 113.7 | M316 L381 | P314-M316 VanDerWaalsContact C-N 3.29Å; P314-M316 PolarHBondContact O-N 3.2Å; P314-L381 HydrophobicContact CB-CD2 4.17Å; P314-L381 HydrophobicContact CG-CD2 4.41Å; P314-L381 WeakPolarHBondContact O-CD2 3.45Å |
| 315 | F | 92.2 | Very high | 91.9 | Very high | 90 Ų | 90 | 55.9 Ų | 55.9 | 40% | 0.395 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 0.3 | 177.4 | 65.7 | -94.9 | 0 | 0 | 0 | 114.7 | M313 L317 L318 F319 L381 | M313-F315 HydrophobicContact CB-CE1 4.11Å; M313-F315 HydrophobicContact CB-CZ 4.21Å; M313-F315 HydrophobicContact CG-CE1 4.21Å; M313-F315 HydrophobicContact CG-CZ 4.16Å; M313-F315 PolarHBondContact O-N 2.97Å; M313-F315 VanDerWaalsContact O-N 3.11Å; M313-F315 HydrophobicContact SD-CZ 4.2Å; F315-L317 VanDerWaalsContact C-N 3.26Å; F315-L317 PolarHBondContact O-N 3.44Å; F315-L318 PolarHBondContact O-N 2.92Å; F315-F319 HydrophobicContact CD2-CB 4.14Å; F315-F319 WeakPolarHBondContact O-CB 3.16Å; F315-F319 PolarHBondContact O-N 2.96Å; F315-L381 HydrophobicContact CB-CD1 4.41Å; F315-L381 HydrophobicContact CB-CD2 3.74Å |
| 316 | M | 90.9 | Very high | 92.1 | Very high | 13 Ų | 13 | 59.2 Ų | 59.2 | 6% | 0.064 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.7 | -38.3 | -173.8 | -170.2 | 64.9 | -127.8 | 0 | 0 | 112.5 | I304 E305 M313 P314 F319 S320 R323 | I304-M316 HydrophobicContact CD1-CE 3.71Å; I304-M316 HydrophobicContact CD1-SD 3.78Å; I304-M316 HydrophobicContact CG1-CE 3.51Å; I304-M316 HydrophobicContact CG1-SD 3.92Å; E305-M316 HydrophobicContact CB-CE 4.32Å; E305-M316 HydrophobicContact CG-CE 3.4Å; E305-M316 VanDerWaalsContact CG-CE 3.4Å; E305-M316 HydrophobicContact CG-CG 4.49Å; E305-M316 HydrophobicContact CG-SD 4.12Å; M313-M316 WeakPolarHBondContact O-CB 3.17Å; M313-M316 PolarHBondContact O-N 3.24Å; M313-M316 VanDerWaalsContact O-N 3.13Å; P314-M316 VanDerWaalsContact C-N 3.29Å; P314-M316 PolarHBondContact O-N 3.2Å; M316-F319 HydrophobicContact CE-CD1 4.22Å; M316-S320 WeakPolarHBondContact O-CB 3.47Å; M316-S320 PolarHBondContact O-N 3.26Å; M316-R323 VanDerWaalsContact CE-NH2 3.25Å |
| 317 | L | 89.5 | Confident | 92.1 | Very high | 40 Ų | 40 | 56 Ų | 56 | 21% | 0.209 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.1 | -57.4 | 177.7 | -171.4 | 65.9 | 0 | 0 | 0 | 111.3 | E205 F315 F319 S320 D321 | E205-L317 HydrophobicContact CG-CD2 4.37Å; E205-L317 WeakPolarHBondContact OE1-CD2 3.4Å; F315-L317 VanDerWaalsContact C-N 3.26Å; F315-L317 PolarHBondContact O-N 3.44Å; L317-F319 VanDerWaalsContact C-N 3.26Å; L317-F319 PolarHBondContact O-N 3.41Å; L317-S320 WeakPolarHBondContact O-CA 3.5Å; L317-S320 VanDerWaalsContact O-CB 3.29Å; L317-S320 WeakPolarHBondContact O-CB 3.37Å; L317-S320 PolarHBondContact O-N 3.34Å; L317-D321 VanDerWaalsContact O-CG 3.3Å; L317-D321 PolarHBondContact O-N 3.38Å; L317-D321 VanDerWaalsContact O-OD2 3.07Å |
| 318 | L | 92.4 | Very high | 92.1 | Very high | 42 Ų | 42 | 57.8 Ų | 57.8 | 22% | 0.22 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55.7 | -40.4 | 177.2 | 179.3 | 66.2 | 0 | 0 | 0 | 112.3 | F315 D321 L322 D373 R377 L381 | F315-L318 PolarHBondContact O-N 2.92Å; L318-D321 PolarHBondContact O-N 3.25Å; L318-L322 WeakPolarHBondContact O-CB 3.47Å; L318-L322 PolarHBondContact O-N 2.96Å; L318-D373 HydrophobicContact CD1-CB 4.4Å; L318-R377 HydrophobicContact CB-CB 4.49Å; L318-R377 HydrophobicContact CD1-CB 4.21Å; L318-L381 HydrophobicContact CD2-CD1 4.44Å |
| 319 | F | 93.2 | Very high | 92.3 | Very high | 61 Ų | 61 | 58.1 Ų | 58.1 | 27% | 0.268 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68.2 | -35.1 | 177.3 | -176.1 | -98.3 | 0 | 0 | 0 | 112.4 | I304 F315 M316 L317 R323 | I304-F319 HydrophobicContact CD1-CD1 3.31Å; I304-F319 HydrophobicContact CD1-CE1 3.18Å; I304-F319 HydrophobicContact CD1-CG 4.31Å; I304-F319 HydrophobicContact CD1-CZ 4.12Å; I304-F319 HydrophobicContact CG1-CD1 4.18Å; I304-F319 HydrophobicContact CG1-CE1 3.9Å; F315-F319 HydrophobicContact CD2-CB 4.14Å; F315-F319 WeakPolarHBondContact O-CB 3.16Å; F315-F319 PolarHBondContact O-N 2.96Å; M316-F319 HydrophobicContact CE-CD1 4.22Å; L317-F319 VanDerWaalsContact C-N 3.26Å; L317-F319 PolarHBondContact O-N 3.41Å; F319-R323 HydrophobicContact CD1-CG 4.34Å; F319-R323 HydrophobicContact CE1-CG 3.97Å; F319-R323 VanDerWaalsContact CE1-NE 3.3Å; F319-R323 HydrophobicContact CZ-CG 4.15Å; F319-R323 VanDerWaalsContact O-CG 3.3Å; F319-R323 WeakPolarHBondContact O-CG 3.27Å; F319-R323 PolarHBondContact O-N 3.35Å; F319-R323 VanDerWaalsContact O-N 3.15Å; F319-R323 PolarHBondContact O-NE 3.47Å |
| 320 | S | 91.1 | Very high | 92.4 | Very high | 24 Ų | 24 | 58.1 Ų | 58.1 | 17% | 0.168 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.4 | -45.9 | 172.8 | -168.7 | 0 | 0 | 0 | 0 | 111.5 | M316 L317 L322 R323 Q324 | M316-S320 WeakPolarHBondContact O-CB 3.47Å; M316-S320 PolarHBondContact O-N 3.26Å; L317-S320 WeakPolarHBondContact O-CA 3.5Å; L317-S320 VanDerWaalsContact O-CB 3.29Å; L317-S320 WeakPolarHBondContact O-CB 3.37Å; L317-S320 PolarHBondContact O-N 3.34Å; S320-L322 PolarHBondContact O-N 2.8Å; S320-R323 PolarHBondContact O-N 3.16Å; S320-Q324 WeakPolarHBondContact O-CG 3.29Å; S320-Q324 PolarHBondContact O-N 3.2Å; S320-Q324 VanDerWaalsContact O-N 3.08Å |
| 321 | D | 92.4 | Very high | 92.6 | Very high | 28 Ų | 28 | 50.7 Ų | 50.7 | 15% | 0.15 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 178.5 | -52 | -40.3 | 0 | 0 | 0 | 111.4 | L317 L318 R323 Q324 G325 R377 | L317-D321 VanDerWaalsContact O-CG 3.3Å; L317-D321 PolarHBondContact O-N 3.38Å; L317-D321 VanDerWaalsContact O-OD2 3.07Å; L318-D321 PolarHBondContact O-N 3.25Å; D321-R323 VanDerWaalsContact C-N 3.29Å; D321-R323 PolarHBondContact O-N 3.02Å; D321-Q324 PolarHBondContact O-N 3.43Å; D321-Q324 VanDerWaalsContact O-N 3.15Å; D321-G325 PolarHBondContact O-N 3.42Å; D321-R377 IonicContact OD1-NH1 3.5Å; D321-R377 PolarHBondContact OD1-NH1 3.09Å; D321-R377 WeakPolarHBondContact OD2-CD 3.3Å; D321-R377 IonicContact OD2-CZ 3.82Å; D321-R377 IonicContact OD2-NE 2.75Å; D321-R377 IonicContact OD2-NH1 3.55Å; D321-R377 PolarHBondContact OD2-NH1 3.27Å |
| 322 | L | 93.3 | Very high | 92.7 | Very high | 83 Ų | 83 | 47.1 Ų | 47.1 | 44% | 0.435 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.6 | -40.8 | 178.2 | -174.4 | 65.1 | 0 | 0 | 0 | 111.8 | L318 S320 L326 F370 | L318-L322 WeakPolarHBondContact O-CB 3.47Å; L318-L322 PolarHBondContact O-N 2.96Å; S320-L322 PolarHBondContact O-N 2.8Å; L322-L326 VanDerWaalsContact O-CB 3.26Å; L322-L326 WeakPolarHBondContact O-CB 3.48Å; L322-L326 PolarHBondContact O-N 3.44Å; L322-F370 HydrophobicContact CD1-CD2 3.7Å; L322-F370 HydrophobicContact CD1-CE2 3.7Å |
| 323 | R | 95 | Very high | 92.8 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 2% | 0.019 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.7 | -44 | 176 | -72.3 | -176.3 | -68.1 | 170.7 | 3.5 | 111.9 | L299 I300 L302 E305 M316 F319 S320 D321 F327 | L299-R323 HydrophobicContact CD2-CG 4.03Å; L299-R323 HydrophobicContact CG-CG 3.89Å; L299-R323 VanDerWaalsContact O-CD 3.29Å; L299-R323 WeakPolarHBondContact O-CD 3.1Å; I300-R323 HydrophobicContact CG1-CB 4.14Å; L302-R323 PolarHBondContact O-NH1 2.98Å; L302-R323 VanDerWaalsContact O-NH1 3.14Å; E305-R323 IonicContact OE1-CZ 3.14Å; E305-R323 IonicContact OE1-NH1 2.69Å; E305-R323 IonicContact OE1-NH2 3.69Å; E305-R323 PolarHBondContact OE1-NH2 3.02Å; E305-R323 IonicContact OE2-NH1 2.81Å; M316-R323 VanDerWaalsContact CE-NH2 3.25Å; F319-R323 HydrophobicContact CD1-CG 4.34Å; F319-R323 HydrophobicContact CE1-CG 3.97Å; F319-R323 VanDerWaalsContact CE1-NE 3.3Å; F319-R323 HydrophobicContact CZ-CG 4.15Å; F319-R323 VanDerWaalsContact O-CG 3.3Å; F319-R323 WeakPolarHBondContact O-CG 3.27Å; F319-R323 PolarHBondContact O-N 3.35Å; F319-R323 VanDerWaalsContact O-N 3.15Å; F319-R323 PolarHBondContact O-NE 3.47Å; S320-R323 PolarHBondContact O-N 3.16Å; D321-R323 VanDerWaalsContact C-N 3.29Å; D321-R323 PolarHBondContact O-N 3.02Å; R323-F327 PolarHBondContact O-N 2.85Å; R323-F327 VanDerWaalsContact O-N 3.11Å |
| 324 | Q | 93 | Very high | 92.9 | Very high | 73 Ų | 73 | 41 Ų | 41 | 34% | 0.341 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.6 | -46.4 | 178.1 | -69.2 | -178.7 | 1.8 | 0 | 0 | 111.8 | S320 D321 L326 F327 Y328 | S320-Q324 WeakPolarHBondContact O-CG 3.29Å; S320-Q324 PolarHBondContact O-N 3.2Å; S320-Q324 VanDerWaalsContact O-N 3.08Å; D321-Q324 PolarHBondContact O-N 3.43Å; D321-Q324 VanDerWaalsContact O-N 3.15Å; Q324-L326 VanDerWaalsContact C-N 3.31Å; Q324-L326 PolarHBondContact O-N 3.41Å; Q324-F327 WeakPolarHBondContact O-CB 3.4Å; Q324-F327 PolarHBondContact O-N 3.49Å; Q324-F327 VanDerWaalsContact O-N 3.12Å; Q324-Y328 HydrophobicContact CB-CE2 4.25Å; Q324-Y328 WeakPolarHBondContact O-CD2 3.26Å; Q324-Y328 PolarHBondContact O-N 2.91Å |
| 325 | G | 93.8 | Very high | 93 | Very high | 33 Ų | 33 | 41.1 Ų | 41.1 | 34% | 0.34 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.7 | -41.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D321 Y328 A329 | D321-G325 PolarHBondContact O-N 3.42Å; G325-Y328 PolarHBondContact O-N 2.97Å; G325-A329 WeakPolarHBondContact O-CB 3.34Å; G325-A329 PolarHBondContact O-N 2.95Å |
| 326 | L | 95.5 | Very high | 92.9 | Very high | 77 Ų | 77 | 36.9 Ų | 36.9 | 40% | 0.403 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.6 | -41.3 | 174.7 | -177 | 62.6 | 0 | 0 | 0 | 112.1 | V296 L299 L322 Q324 A329 V330 | V296-L326 HydrophobicContact CG1-CB 4.28Å; V296-L326 HydrophobicContact CG1-CD2 4.18Å; V296-L326 HydrophobicContact CG1-CG 3.89Å; V296-L326 HydrophobicContact CG2-CD2 4.03Å; V296-L326 HydrophobicContact CG2-CG 4.03Å; L299-L326 HydrophobicContact CD2-CD2 4.1Å; L322-L326 VanDerWaalsContact O-CB 3.26Å; L322-L326 WeakPolarHBondContact O-CB 3.48Å; L322-L326 PolarHBondContact O-N 3.44Å; Q324-L326 VanDerWaalsContact C-N 3.31Å; Q324-L326 PolarHBondContact O-N 3.41Å; L326-A329 PolarHBondContact O-N 3.39Å; L326-V330 HydrophobicContact CD1-CG2 4.48Å; L326-V330 WeakPolarHBondContact O-CG2 3.08Å; L326-V330 PolarHBondContact O-N 2.95Å |
| 327 | F | 95.2 | Very high | 92.7 | Very high | 5 Ų | 5 | 36.4 Ų | 36.4 | 2% | 0.022 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.1 | -46 | 175.1 | 173.7 | -103.3 | 0 | 0 | 0 | 111.8 | L293 V296 M297 I300 R323 Q324 A329 V330 L331 W505 | L293-F327 HydrophobicContact CD1-CD2 4.21Å; L293-F327 HydrophobicContact CD1-CE2 3.81Å; V296-F327 VanDerWaalsContact CG1-CA 3.43Å; V296-F327 HydrophobicContact CG1-CB 3.75Å; V296-F327 HydrophobicContact CG1-CD2 4.42Å; M297-F327 HydrophobicContact CB-CE2 4.49Å; M297-F327 HydrophobicContact SD-CD2 3.95Å; M297-F327 HydrophobicContact SD-CE2 3.49Å; M297-F327 WeakPolarHBondContact SD-CE2 3.35Å; M297-F327 HydrophobicContact SD-CZ 3.97Å; I300-F327 HydrophobicContact CD1-CB 3.29Å; I300-F327 HydrophobicContact CD1-CD1 4.14Å; I300-F327 HydrophobicContact CD1-CD2 4.18Å; I300-F327 HydrophobicContact CD1-CG 3.63Å; I300-F327 HydrophobicContact CG1-CB 4.38Å; R323-F327 PolarHBondContact O-N 2.85Å; R323-F327 VanDerWaalsContact O-N 3.11Å; Q324-F327 WeakPolarHBondContact O-CB 3.4Å; Q324-F327 PolarHBondContact O-N 3.49Å; Q324-F327 VanDerWaalsContact O-N 3.12Å; F327-A329 VanDerWaalsContact C-N 3.34Å; F327-A329 PolarHBondContact O-N 3.35Å; F327-V330 PolarHBondContact O-N 3.24Å; F327-L331 HydrophobicContact CE1-CD2 4Å; F327-L331 HydrophobicContact CZ-CD2 4.22Å; F327-L331 VanDerWaalsContact O-CB 3.24Å; F327-L331 WeakPolarHBondContact O-CB 3.49Å; F327-L331 PolarHBondContact O-N 2.91Å; F327-W505 HydrophobicContact CE1-CB 4.37Å; F327-W505 HydrophobicContact CE1-CD2 4.17Å; F327-W505 HydrophobicContact CE1-CE3 4.31Å; F327-W505 HydrophobicContact CE1-CG 4.2Å; F327-W505 HydrophobicContact CZ-CB 4.08Å; F327-W505 HydrophobicContact CZ-CD2 4.18Å; F327-W505 AromaticContact CZ-CE3 3.98Å; F327-W505 HydrophobicContact CZ-CE3 3.98Å; F327-W505 HydrophobicContact CZ-CG 4.25Å |
| 328 | Y | 92.9 | Very high | 92.6 | Very high | 117 Ų | 117 | 35 Ų | 35 | 46% | 0.459 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61 | -43.6 | 176.6 | -60 | -33 | 0 | 0 | 0 | 111.7 | Q324 G325 V330 L331 L332 | Q324-Y328 HydrophobicContact CB-CE2 4.25Å; Q324-Y328 WeakPolarHBondContact O-CD2 3.26Å; Q324-Y328 PolarHBondContact O-N 2.91Å; G325-Y328 PolarHBondContact O-N 2.97Å; Y328-V330 PolarHBondContact O-N 3.47Å; Y328-L331 PolarHBondContact O-N 2.87Å; Y328-L332 WeakPolarHBondContact O-CB 3.34Å; Y328-L332 WeakPolarHBondContact O-CG 3.44Å; Y328-L332 PolarHBondContact O-N 3.34Å |
| 329 | A | 94.7 | Very high | 92.3 | Very high | 19 Ų | 19 | 33.1 Ų | 33.1 | 16% | 0.157 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.9 | -46.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G325 L326 F327 S333 C366 | G325-A329 WeakPolarHBondContact O-CB 3.34Å; G325-A329 PolarHBondContact O-N 2.95Å; L326-A329 PolarHBondContact O-N 3.39Å; F327-A329 VanDerWaalsContact C-N 3.34Å; F327-A329 PolarHBondContact O-N 3.35Å; A329-S333 VanDerWaalsContact O-CB 3.27Å; A329-S333 WeakPolarHBondContact O-CB 3.45Å; A329-S333 PolarHBondContact O-N 3.11Å; A329-S333 VanDerWaalsContact O-N 3.08Å; A329-S333 PolarHBondContact O-OG 3.45Å; A329-C366 HydrophobicContact CB-CB 4.42Å; A329-C366 VanDerWaalsContact CB-SG 3.57Å |
| 330 | V | 95 | Very high | 91.8 | Very high | 22 Ų | 22 | 30.4 Ų | 30.4 | 13% | 0.133 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -70.1 | -39.2 | 179.5 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | C292 L293 V296 L326 F327 Y328 S333 F334 | C292-V330 HydrophobicContact CB-CG1 4.34Å; L293-V330 HydrophobicContact CB-CG1 4.09Å; L293-V330 HydrophobicContact CD1-CG1 4.09Å; V296-V330 HydrophobicContact CG2-CG2 4.03Å; L326-V330 HydrophobicContact CD1-CG2 4.48Å; L326-V330 WeakPolarHBondContact O-CG2 3.08Å; L326-V330 PolarHBondContact O-N 2.95Å; F327-V330 PolarHBondContact O-N 3.24Å; Y328-V330 PolarHBondContact O-N 3.47Å; V330-S333 PolarHBondContact O-N 2.76Å; V330-F334 VanDerWaalsContact O-CB 3.27Å; V330-F334 WeakPolarHBondContact O-CB 3.35Å; V330-F334 PolarHBondContact O-N 2.97Å |
| 331 | L | 93.5 | Very high | 91.3 | Very high | 5 Ų | 5 | 30.6 Ų | 30.6 | 3% | 0.026 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.5 | -47.9 | 177.8 | 179.5 | 66.5 | 0 | 0 | 0 | 111.9 | L293 F327 Y328 S333 F334 W335 W505 Y508 | L293-L331 HydrophobicContact CD1-CB 4.18Å; L293-L331 HydrophobicContact CD1-CD1 4.18Å; F327-L331 HydrophobicContact CE1-CD2 4Å; F327-L331 HydrophobicContact CZ-CD2 4.22Å; F327-L331 VanDerWaalsContact O-CB 3.24Å; F327-L331 WeakPolarHBondContact O-CB 3.49Å; F327-L331 PolarHBondContact O-N 2.91Å; Y328-L331 PolarHBondContact O-N 2.87Å; L331-S333 VanDerWaalsContact C-N 3.32Å; L331-S333 PolarHBondContact O-N 3.12Å; L331-F334 WeakPolarHBondContact O-CB 3.48Å; L331-F334 PolarHBondContact O-N 3.44Å; L331-W335 HydrophobicContact CD1-CZ2 3.88Å; L331-W335 HydrophobicContact CD2-CH2 3.99Å; L331-W335 HydrophobicContact CD2-CZ2 3.86Å; L331-W335 HydrophobicContact CG-CD2 4.49Å; L331-W335 HydrophobicContact CG-CH2 4.2Å; L331-W335 HydrophobicContact CG-CZ2 3.81Å; L331-W335 PolarHBondContact O-N 3.48Å; L331-W505 HydrophobicContact CD1-CZ3 3.93Å; L331-W505 HydrophobicContact CD2-CE3 3.99Å; L331-W505 HydrophobicContact CD2-CH2 3.56Å; L331-W505 HydrophobicContact CD2-CZ2 4.22Å; L331-W505 HydrophobicContact CD2-CZ3 3.42Å; L331-W505 VanDerWaalsContact CD2-CZ3 3.42Å; L331-W505 HydrophobicContact CG-CZ3 4.3Å; L331-Y508 HydrophobicContact CD1-CE1 4Å |
| 332 | L | 93.4 | Very high | 90.5 | Very high | 48 Ų | 48 | 30.6 Ų | 30.6 | 25% | 0.251 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -63.7 | -40 | 178.2 | -67.2 | 175.6 | 0 | 0 | 0 | 111.4 | Y328 W335 L336 V362 Y412 | Y328-L332 WeakPolarHBondContact O-CB 3.34Å; Y328-L332 WeakPolarHBondContact O-CG 3.44Å; Y328-L332 PolarHBondContact O-N 3.34Å; L332-W335 HydrophobicContact CD2-CE3 3.89Å; L332-W335 HydrophobicContact CD2-CZ3 3.78Å; L332-W335 PolarHBondContact O-N 3.46Å; L332-L336 PolarHBondContact O-N 2.91Å; L332-V362 HydrophobicContact CB-CG1 4.17Å; L332-V362 HydrophobicContact CB-CG2 4.29Å; L332-Y412 WeakPolarHBondContact CA-OH 3.04Å; L332-Y412 HydrophobicContact CB-CE2 3.87Å; L332-Y412 HydrophobicContact CD2-CE1 3.72Å; L332-Y412 HydrophobicContact CD2-CE2 4.39Å; L332-Y412 WeakPolarHBondContact CD2-OH 3.49Å; L332-Y412 PolarHBondContact O-OH 3.12Å; L332-Y412 VanDerWaalsContact O-OH 3.05Å |
| 333 | S | 92.6 | Very high | 89.4 | Confident | 29 Ų | 29 | 27.5 Ų | 27.5 | 20% | 0.203 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.7 | -42.2 | 173.8 | -61.1 | 0 | 0 | 0 | 0 | 111.6 | A329 V330 L331 W335 L336 I337 | A329-S333 VanDerWaalsContact O-CB 3.27Å; A329-S333 WeakPolarHBondContact O-CB 3.45Å; A329-S333 PolarHBondContact O-N 3.11Å; A329-S333 VanDerWaalsContact O-N 3.08Å; A329-S333 PolarHBondContact O-OG 3.45Å; V330-S333 PolarHBondContact O-N 2.76Å; L331-S333 VanDerWaalsContact C-N 3.32Å; L331-S333 PolarHBondContact O-N 3.12Å; S333-W335 PolarHBondContact O-N 3.1Å; S333-L336 PolarHBondContact O-N 3.35Å; S333-I337 WeakPolarHBondContact O-CG1 3.34Å; S333-I337 PolarHBondContact O-N 3.45Å |
| 334 | F | 92.2 | Very high | 87.5 | Confident | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.009 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.3 | -44.5 | 176 | 164.4 | -102.2 | 0 | 0 | 0 | 111.5 | L286 C289 L290 L293 V330 L331 L336 I337 F338 L455 L512 | L286-F334 HydrophobicContact CD1-CD2 4.33Å; L286-F334 HydrophobicContact CD1-CE2 3.86Å; C289-F334 HydrophobicContact CB-CD2 4.39Å; L290-F334 HydrophobicContact CD2-CD2 4.16Å; L290-F334 HydrophobicContact CD2-CE2 3.42Å; L290-F334 VanDerWaalsContact CD2-CE2 3.42Å; L290-F334 HydrophobicContact CD2-CZ 3.82Å; L290-F334 HydrophobicContact CG-CD2 4.44Å; L290-F334 HydrophobicContact CG-CE2 3.83Å; L293-F334 HydrophobicContact CD2-CD1 4.3Å; L293-F334 HydrophobicContact CD2-CG 4.4Å; V330-F334 VanDerWaalsContact O-CB 3.27Å; V330-F334 WeakPolarHBondContact O-CB 3.35Å; V330-F334 PolarHBondContact O-N 2.97Å; L331-F334 WeakPolarHBondContact O-CB 3.48Å; L331-F334 PolarHBondContact O-N 3.44Å; F334-L336 PolarHBondContact O-N 2.89Å; F334-I337 PolarHBondContact O-N 3.19Å; F334-F338 HydrophobicContact CE2-CB 4.34Å; F334-F338 HydrophobicContact CE2-CD2 4.38Å; F334-F338 HydrophobicContact CZ-CB 4.35Å; F334-F338 HydrophobicContact CZ-CD2 4.18Å; F334-F338 HydrophobicContact CZ-CG 4.41Å; F334-F338 WeakPolarHBondContact O-CB 3.45Å; F334-F338 PolarHBondContact O-N 3.18Å; F334-L455 HydrophobicContact CE1-CD2 4.09Å; F334-L455 HydrophobicContact CZ-CD2 3.82Å; F334-L512 HydrophobicContact CD1-CD1 4.49Å; F334-L512 HydrophobicContact CE1-CD1 3.62Å; F334-L512 HydrophobicContact CZ-CD1 3.7Å; F334-L512 HydrophobicContact CZ-CD2 4.01Å |
| 335 | W | 91.7 | Very high | 85.8 | Confident | 47 Ų | 47 | 29.8 Ų | 29.8 | 18% | 0.178 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.7 | -40.7 | 178.4 | -68.6 | -21.9 | 0 | 0 | 0 | 113.4 | L331 L332 S333 A339 L416 T459 W505 Y508 | L331-W335 HydrophobicContact CD1-CZ2 3.88Å; L331-W335 HydrophobicContact CD2-CH2 3.99Å; L331-W335 HydrophobicContact CD2-CZ2 3.86Å; L331-W335 HydrophobicContact CG-CD2 4.49Å; L331-W335 HydrophobicContact CG-CH2 4.2Å; L331-W335 HydrophobicContact CG-CZ2 3.81Å; L331-W335 PolarHBondContact O-N 3.48Å; L332-W335 HydrophobicContact CD2-CE3 3.89Å; L332-W335 HydrophobicContact CD2-CZ3 3.78Å; L332-W335 PolarHBondContact O-N 3.46Å; S333-W335 PolarHBondContact O-N 3.1Å; W335-A339 WeakPolarHBondContact O-CB 3.32Å; W335-A339 PolarHBondContact O-N 2.87Å; W335-L416 HydrophobicContact CB-CD1 4.4Å; W335-T459 HydrophobicContact CD2-CG2 4.24Å; W335-T459 VanDerWaalsContact CE2-CG2 3.42Å; W335-T459 HydrophobicContact CH2-CG2 4.27Å; W335-T459 HydrophobicContact CZ2-CG2 3.44Å; W335-T459 VanDerWaalsContact CZ2-CG2 3.44Å; W335-W505 HydrophobicContact CH2-CH2 4.02Å; W335-W505 AromaticContact CZ2-CH2 3.79Å; W335-W505 HydrophobicContact CZ2-CH2 3.79Å; W335-W505 HydrophobicContact CZ2-CZ3 4.13Å; W335-Y508 PolarHBondContact NE1-OH 2.9Å; W335-Y508 VanDerWaalsContact NE1-OH 3.07Å |
| 336 | L | 89.4 | Confident | 84 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.5 | -48.6 | 176.1 | -73.5 | 172.3 | 0 | 0 | 0 | 112 | L332 S333 F334 F338 A339 G340 N358 V362 Y412 L416 L419 | L332-L336 PolarHBondContact O-N 2.91Å; S333-L336 PolarHBondContact O-N 3.35Å; F334-L336 PolarHBondContact O-N 2.89Å; L336-F338 VanDerWaalsContact C-N 3.32Å; L336-A339 PolarHBondContact O-N 3.39Å; L336-G340 PolarHBondContact O-N 3.03Å; L336-N358 HydrophobicContact CD1-CB 3.97Å; L336-N358 HydrophobicContact CD2-CB 4.44Å; L336-V362 HydrophobicContact CD1-CG2 3.92Å; L336-Y412 HydrophobicContact CD1-CD2 3.68Å; L336-Y412 HydrophobicContact CD1-CE2 3.42Å; L336-Y412 VanDerWaalsContact CD1-CE2 3.42Å; L336-Y412 HydrophobicContact CD2-CD2 4.4Å; L336-Y412 HydrophobicContact CD2-CE2 4.04Å; L336-Y412 HydrophobicContact CG-CD2 4.16Å; L336-Y412 HydrophobicContact CG-CE2 3.52Å; L336-L416 HydrophobicContact CD2-CB 4.24Å; L336-L416 HydrophobicContact CD2-CD1 4.09Å; L336-L419 HydrophobicContact CD2-CD1 3.78Å |
| 337 | I | 88.1 | Confident | 82 | Confident | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.7 | -39.9 | 179.6 | -65.7 | 169.9 | 0 | 0 | 0 | 110 | L285 C289 S333 F334 G340 E341 L352 Y355 L359 | L285-I337 HydrophobicContact CD2-CG2 3.88Å; L285-I337 HydrophobicContact CG-CG2 4.02Å; C289-I337 WeakPolarHBondContact SG-CD1 3.36Å; S333-I337 WeakPolarHBondContact O-CG1 3.34Å; S333-I337 PolarHBondContact O-N 3.45Å; F334-I337 PolarHBondContact O-N 3.19Å; I337-G340 PolarHBondContact O-N 3.49Å; I337-E341 HydrophobicContact CG2-CG 4.08Å; I337-E341 WeakPolarHBondContact O-CB 3.31Å; I337-E341 WeakPolarHBondContact O-CG 3.48Å; I337-E341 PolarHBondContact O-N 2.88Å; I337-L352 HydrophobicContact CD1-CD1 4.12Å; I337-Y355 HydrophobicContact CG1-CG 4.48Å; I337-L359 HydrophobicContact CD1-CD1 4.32Å; I337-L359 HydrophobicContact CD1-CD2 4.33Å; I337-L359 HydrophobicContact CG1-CD2 4.46Å |
| 338 | F | 87 | Confident | 80.3 | Confident | 10 Ų | 10 | 35 Ų | 35 | 4% | 0.044 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.4 | -48.3 | 176.9 | -180 | -94.9 | 0 | 0 | 0 | 111.9 | L286 F334 L336 G340 H342 F452 L455 Y516 | L286-F338 HydrophobicContact CD1-CB 4.23Å; L286-F338 HydrophobicContact CD1-CD2 3.84Å; L286-F338 HydrophobicContact CD2-CD2 4.21Å; L286-F338 HydrophobicContact CD2-CE2 4.48Å; F334-F338 HydrophobicContact CE2-CB 4.34Å; F334-F338 HydrophobicContact CE2-CD2 4.38Å; F334-F338 HydrophobicContact CZ-CB 4.35Å; F334-F338 HydrophobicContact CZ-CD2 4.18Å; F334-F338 HydrophobicContact CZ-CG 4.41Å; F334-F338 WeakPolarHBondContact O-CB 3.45Å; F334-F338 PolarHBondContact O-N 3.18Å; L336-F338 VanDerWaalsContact C-N 3.32Å; F338-G340 VanDerWaalsContact C-N 3.31Å; F338-G340 PolarHBondContact O-N 3.49Å; F338-H342 AromaticContact CD2-CE1 3.67Å; F338-H342 AromaticContact CD2-ND1 4Å; F338-H342 AromaticContact CE2-CE1 3.15Å; F338-H342 WeakPolarHBondContact CE2-CE1 3.47Å; F338-H342 AromaticContact CE2-ND1 3.81Å; F338-H342 AromaticContact CE2-NE2 3.95Å; F338-H342 AromaticContact CZ-CE1 3.37Å; F338-H342 WeakPolarHBondContact CZ-CE1 3.49Å; F338-H342 AromaticContact CZ-ND1 3.83Å; F338-H342 AromaticContact CZ-NE2 3.87Å; F338-H342 PolarHBondContact O-N 3.35Å; F338-H342 PolarHBondContact O-ND1 3.36Å; F338-F452 HydrophobicContact CD1-CD2 4.27Å; F338-F452 HydrophobicContact CD1-CE2 4.4Å; F338-F452 AromaticContact CE1-CD2 3.53Å; F338-F452 HydrophobicContact CE1-CD2 3.53Å; F338-F452 HydrophobicContact CE1-CE2 4.03Å; F338-F452 HydrophobicContact CE1-CG 4.49Å; F338-F452 HydrophobicContact CZ-CD2 4.19Å; F338-L455 HydrophobicContact CD1-CD2 3.85Å; F338-L455 HydrophobicContact CD2-CD2 3.69Å; F338-L455 HydrophobicContact CE1-CB 4.08Å; F338-L455 HydrophobicContact CE1-CD2 3.57Å; F338-L455 HydrophobicContact CE1-CG 4.2Å; F338-L455 HydrophobicContact CE2-CD2 3.39Å; F338-L455 HydrophobicContact CG-CD2 3.92Å; F338-L455 HydrophobicContact CZ-CB 3.83Å; F338-L455 HydrophobicContact CZ-CD2 3.34Å; F338-L455 HydrophobicContact CZ-CG 4.12Å; F338-Y516 AromaticContact CE2-CE1 3.85Å; F338-Y516 HydrophobicContact CE2-CE1 3.85Å; F338-Y516 AromaticContact CE2-CZ 3.68Å; F338-Y516 WeakPolarHBondContact CE2-OH 3.18Å; F338-Y516 VanDerWaalsContact CZ-OH 3.31Å; F338-Y516 WeakPolarHBondContact CZ-OH 3.32Å |
| 339 | A | 85.2 | Confident | 78.9 | Confident | 2 Ų | 2 | 32.4 Ų | 32.4 | 2% | 0.017 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.9 | -41 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | W335 L336 H342 L419 L420 V423 | W335-A339 WeakPolarHBondContact O-CB 3.32Å; W335-A339 PolarHBondContact O-N 2.87Å; L336-A339 PolarHBondContact O-N 3.39Å; A339-H342 PolarHBondContact O-N 3.05Å; A339-L419 HydrophobicContact CB-CB 4.3Å; A339-L420 HydrophobicContact CB-CD2 4.41Å; A339-V423 VanDerWaalsContact O-CG2 3.25Å; A339-V423 WeakPolarHBondContact O-CG2 3.5Å |
| 340 | G | 82.6 | Confident | 77.7 | Confident | 4 Ų | 4 | 35.2 Ų | 35.2 | 4% | 0.041 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.8 | -49.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L336 I337 F338 H342 L343 Y355 | L336-G340 PolarHBondContact O-N 3.03Å; I337-G340 PolarHBondContact O-N 3.49Å; F338-G340 VanDerWaalsContact C-N 3.31Å; F338-G340 PolarHBondContact O-N 3.49Å; G340-H342 PolarHBondContact O-N 3.31Å; G340-L343 VanDerWaalsContact O-CB 3.27Å; G340-L343 WeakPolarHBondContact O-CB 3.26Å; G340-L343 PolarHBondContact O-N 3.16Å; G340-Y355 VanDerWaalsContact C-OH 3.24Å |
| 341 | E | 80.2 | Confident | 76.8 | Confident | 29 Ų | 29 | 38.6 Ų | 38.6 | 14% | 0.136 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.5 | -22.5 | -178.1 | -73.4 | -66.9 | 131.9 | 0 | 0 | 113 | I337 L343 N350 Y355 | I337-E341 HydrophobicContact CG2-CG 4.08Å; I337-E341 WeakPolarHBondContact O-CB 3.31Å; I337-E341 WeakPolarHBondContact O-CG 3.48Å; I337-E341 PolarHBondContact O-N 2.88Å; E341-L343 VanDerWaalsContact C-N 3.35Å; E341-N350 PolarHBondContact OE1-N 3.1Å; E341-N350 VanDerWaalsContact OE1-N 3.1Å; E341-Y355 PolarHBondContact N-OH 3.33Å; E341-Y355 WeakPolarHBondContact OE1-CE2 3.47Å; E341-Y355 PolarHBondContact OE1-OH 2.96Å |
| 342 | H | 76.3 | Confident | 76.1 | Confident | 28 Ų | 28 | 42.7 Ų | 42.7 | 13% | 0.13 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -6.2 | 173.6 | -71.2 | 78.9 | 0 | 0 | 0 | 113.4 | F338 A339 G340 I344 V423 F452 | F338-H342 AromaticContact CD2-CE1 3.67Å; F338-H342 AromaticContact CD2-ND1 4Å; F338-H342 AromaticContact CE2-CE1 3.15Å; F338-H342 WeakPolarHBondContact CE2-CE1 3.47Å; F338-H342 AromaticContact CE2-ND1 3.81Å; F338-H342 AromaticContact CE2-NE2 3.95Å; F338-H342 AromaticContact CZ-CE1 3.37Å; F338-H342 WeakPolarHBondContact CZ-CE1 3.49Å; F338-H342 AromaticContact CZ-ND1 3.83Å; F338-H342 AromaticContact CZ-NE2 3.87Å; F338-H342 PolarHBondContact O-N 3.35Å; F338-H342 PolarHBondContact O-ND1 3.36Å; A339-H342 PolarHBondContact O-N 3.05Å; G340-H342 PolarHBondContact O-N 3.31Å; H342-I344 PolarHBondContact O-N 3.45Å; H342-V423 HydrophobicContact CB-CG1 4.48Å; H342-F452 HydrophobicContact CB-CD2 3.79Å; H342-F452 HydrophobicContact CB-CE2 4.28Å; H342-F452 HydrophobicContact CB-CG 4.41Å; H342-F452 AromaticContact CG-CD2 3.74Å |
| 343 | L | 70.8 | Confident | 75.5 | Confident | 17 Ų | 17 | 49.1 Ų | 49.1 | 9% | 0.089 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -69.3 | 130.5 | 163.7 | -67.6 | 165.3 | 0 | 0 | 0 | 108.2 | G340 E341 D345 K349 L419 R422 V423 | G340-L343 VanDerWaalsContact O-CB 3.27Å; G340-L343 WeakPolarHBondContact O-CB 3.26Å; G340-L343 PolarHBondContact O-N 3.16Å; E341-L343 VanDerWaalsContact C-N 3.35Å; L343-D345 PolarHBondContact O-N 3.48Å; L343-K349 WeakPolarHBondContact O-CE 3.42Å; L343-K349 PolarHBondContact O-NZ 3.43Å; L343-L419 HydrophobicContact CD1-CD2 3.74Å; L343-R422 HydrophobicContact CD2-CB 3.87Å; L343-V423 HydrophobicContact CD2-CB 4.24Å; L343-V423 HydrophobicContact CD2-CG2 3.47Å; L343-V423 VanDerWaalsContact CD2-CG2 3.47Å; L343-V423 HydrophobicContact CG-CG2 3.64Å |
| 344 | I | 54.5 | Low | 74.7 | Confident | 54 Ų | 54 | 49.7 Ų | 49.7 | 28% | 0.277 | 26% | 0.259 | S | S | . | . | trans | -70.5 | -17.5 | -173.1 | -65.5 | 177.2 | 0 | 0 | 0 | 111.6 | H342 E346 K349 T426 T430 F445 | H342-I344 PolarHBondContact O-N 3.45Å; I344-E346 PolarHBondContact O-N 3.02Å; I344-K349 PolarHBondContact O-NZ 3.47Å; I344-K349 VanDerWaalsContact O-NZ 3.08Å; I344-T426 HydrophobicContact CB-CG2 4.05Å; I344-T426 HydrophobicContact CD1-CG2 3.68Å; I344-T426 HydrophobicContact CG1-CG2 3.84Å; I344-T430 HydrophobicContact CD1-CG2 4.1Å; I344-T430 WeakPolarHBondContact CD1-OG1 3.44Å; I344-F445 HydrophobicContact CD1-CE1 4.19Å | ||
| 345 | D | 58 | Low | 74.2 | Confident | 73 Ų | 73 | 50.1 Ų | 50.1 | 39% | 0.39 | 26% | 0.261 | S | S | . | . | trans | -57.9 | 119.7 | -179.7 | -123.6 | -22.1 | 0 | 0 | 0 | 111.9 | L343 R422 | L343-D345 PolarHBondContact O-N 3.48Å; D345-R422 IonicContact OD2-NH2 3.88Å | ||
| 346 | E | 54.7 | Low | 73.8 | Confident | 53 Ų | 53 | 55.3 Ų | 55.3 | 25% | 0.248 | 28% | 0.281 | C | S | . | . | trans | -83.6 | -22.4 | -169.6 | -71.1 | -149.1 | 121.6 | 0 | 0 | 114.8 | I344 T348 K349 M554 S555 | I344-E346 PolarHBondContact O-N 3.02Å; E346-T348 PolarHBondContact O-N 2.87Å; E346-K349 PolarHBondContact O-N 2.81Å; E346-M554 HydrophobicContact CG-CB 4.21Å; E346-M554 WeakPolarHBondContact OE1-CB 3.4Å; E346-M554 WeakPolarHBondContact OE2-CB 3.37Å; E346-S555 WeakPolarHBondContact OE2-CA 3.19Å; E346-S555 WeakPolarHBondContact OE2-CB 3.15Å; E346-S555 PolarHBondContact OE2-N 3.2Å; E346-S555 PolarHBondContact OE2-OG 2.86Å | ||
| 347 | S | 54.8 | Low | 73.4 | Confident | 107 Ų | 107 | 63.1 Ų | 63.1 | 75% | 0.748 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -14.4 | -167.4 | 57.3 | 0 | 0 | 0 | 0 | 114.2 | ||
| 348 | T | 58.8 | Low | 73.1 | Confident | 63 Ų | 63 | 64.2 Ų | 64.2 | 39% | 0.387 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | 3.2 | -174.2 | 52.9 | 0 | 0 | 0 | 0 | 114.7 | E346 A354 | E346-T348 PolarHBondContact O-N 2.87Å; T348-A354 HydrophobicContact CG2-CB 3.89Å |
| 349 | K | 63.8 | Low | 73.1 | Confident | 63 Ų | 63 | 64.9 Ų | 64.9 | 27% | 0.274 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | 144.1 | -171.6 | -76.3 | -177.4 | 168.5 | 163 | 0 | 113.2 | L343 I344 E346 N351 | L343-K349 WeakPolarHBondContact O-CE 3.42Å; L343-K349 PolarHBondContact O-NZ 3.43Å; I344-K349 PolarHBondContact O-NZ 3.47Å; I344-K349 VanDerWaalsContact O-NZ 3.08Å; E346-K349 PolarHBondContact O-N 2.81Å; K349-N351 PolarHBondContact O-N 3.24Å; K349-N351 VanDerWaalsContact O-N 3.09Å |
| 350 | N | 69.9 | Low | 73.4 | Confident | 78 Ų | 78 | 67 Ų | 67 | 42% | 0.417 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 2.5 | 178.9 | -69 | -52.4 | 0 | 0 | 0 | 117 | L284 L285 E341 | L284-N350 WeakPolarHBondContact CD2-ND2 3.44Å; L284-N350 WeakPolarHBondContact CD2-OD1 3.24Å; L285-N350 PolarHBondContact N-OD1 2.85Å; E341-N350 PolarHBondContact OE1-N 3.1Å; E341-N350 VanDerWaalsContact OE1-N 3.1Å |
| 351 | N | 74.8 | Confident | 73.8 | Confident | 93 Ų | 93 | 67.4 Ų | 67.4 | 50% | 0.497 | 34% | 0.342 | S | S | . | . | trans | -104.6 | 113.9 | 176.3 | -163.8 | -6.1 | 0 | 0 | 0 | 110.7 | K349 Y353 A354 | K349-N351 PolarHBondContact O-N 3.24Å; K349-N351 VanDerWaalsContact O-N 3.09Å; N351-Y353 PolarHBondContact O-N 2.89Å; N351-Y353 PolarHBondContact OD1-N 3.4Å; N351-A354 WeakPolarHBondContact O-CB 3.13Å; N351-A354 PolarHBondContact O-N 3.18Å; N351-A354 VanDerWaalsContact O-N 3.08Å | ||
| 352 | L | 78.9 | Confident | 74.4 | Confident | 92 Ų | 92 | 66.4 Ų | 66.4 | 48% | 0.482 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -57.3 | -33.6 | 178.1 | -174.2 | 68.3 | 0 | 0 | 0 | 111.7 | L285 I337 A354 Y355 W356 L359 | L285-L352 HydrophobicContact CD1-CB 4.32Å; L285-L352 HydrophobicContact CD1-CD1 4.22Å; I337-L352 HydrophobicContact CD1-CD1 4.12Å; L352-A354 PolarHBondContact O-N 3.24Å; L352-Y355 PolarHBondContact O-N 3.22Å; L352-W356 PolarHBondContact O-N 2.85Å; L352-L359 HydrophobicContact CD1-CD1 3.5Å; L352-L359 VanDerWaalsContact CD1-CD1 3.5Å; L352-L359 HydrophobicContact CG-CD1 4.28Å |
| 353 | Y | 80.8 | Confident | 75.3 | Confident | 182 Ų | 182 | 71.2 Ų | 71.2 | 71% | 0.714 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -60 | -31 | 179.8 | -170.7 | -100.6 | 0 | 0 | 0 | 112.7 | N351 Y355 W356 | N351-Y353 PolarHBondContact O-N 2.89Å; N351-Y353 PolarHBondContact OD1-N 3.4Å; Y353-Y355 PolarHBondContact O-N 2.74Å; Y353-W356 VanDerWaalsContact O-CB 3.3Å; Y353-W356 WeakPolarHBondContact O-CB 3.16Å; Y353-W356 PolarHBondContact O-N 3.16Å |
| 354 | A | 76.9 | Confident | 76.3 | Confident | 41 Ų | 41 | 73.1 Ų | 73.1 | 34% | 0.339 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -65.8 | -26.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T348 N351 L352 | T348-A354 HydrophobicContact CG2-CB 3.89Å; N351-A354 WeakPolarHBondContact O-CB 3.13Å; N351-A354 PolarHBondContact O-N 3.18Å; N351-A354 VanDerWaalsContact O-N 3.08Å; L352-A354 PolarHBondContact O-N 3.24Å |
| 355 | Y | 80.4 | Confident | 78.2 | Confident | 12 Ų | 12 | 70.8 Ų | 70.8 | 5% | 0.047 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -93.3 | 1.1 | 178.6 | -60 | -73.8 | 0 | 0 | 0 | 113.6 | L285 I337 G340 E341 L352 Y353 K357 N358 L359 | L285-Y355 HydrophobicContact CD2-CD2 3.94Å; L285-Y355 HydrophobicContact CD2-CE2 3.74Å; I337-Y355 HydrophobicContact CG1-CG 4.48Å; G340-Y355 VanDerWaalsContact C-OH 3.24Å; E341-Y355 PolarHBondContact N-OH 3.33Å; E341-Y355 WeakPolarHBondContact OE1-CE2 3.47Å; E341-Y355 PolarHBondContact OE1-OH 2.96Å; L352-Y355 PolarHBondContact O-N 3.22Å; Y353-Y355 PolarHBondContact O-N 2.74Å; Y355-K357 PolarHBondContact O-N 2.9Å; Y355-K357 VanDerWaalsContact O-N 3.15Å; Y355-N358 PolarHBondContact O-N 3Å; Y355-L359 WeakPolarHBondContact O-CG 3.33Å; Y355-L359 PolarHBondContact O-N 3.33Å |
| 356 | W | 83.4 | Confident | 80 | Confident | 156 Ų | 156 | 69.2 Ų | 69.2 | 59% | 0.591 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -53.4 | -40.3 | -174.8 | 176.4 | -103.6 | 0 | 0 | 0 | 112.9 | L352 Y353 N358 L359 S360 | L352-W356 PolarHBondContact O-N 2.85Å; Y353-W356 VanDerWaalsContact O-CB 3.3Å; Y353-W356 WeakPolarHBondContact O-CB 3.16Å; Y353-W356 PolarHBondContact O-N 3.16Å; W356-N358 PolarHBondContact O-N 3.45Å; W356-L359 PolarHBondContact O-N 3.44Å; W356-S360 VanDerWaalsContact O-CB 3.24Å; W356-S360 WeakPolarHBondContact O-CB 3.47Å; W356-S360 PolarHBondContact O-N 3.45Å |
| 357 | K | 81.6 | Confident | 81.9 | Confident | 164 Ų | 164 | 70.2 Ų | 70.2 | 71% | 0.713 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -59.2 | -46.1 | 177.2 | -66.5 | -177 | -179.3 | 179.2 | 0 | 111.9 | Y355 S360 | Y355-K357 PolarHBondContact O-N 2.9Å; Y355-K357 VanDerWaalsContact O-N 3.15Å; K357-S360 PolarHBondContact O-OG 3.08Å |
| 358 | N | 80.7 | Confident | 83.9 | Confident | 28 Ų | 28 | 65.7 Ų | 65.7 | 15% | 0.15 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -72.3 | -39.9 | -178.8 | -56.3 | -20.9 | 0 | 0 | 0 | 111.3 | L336 Y355 W356 S360 A361 | L336-N358 HydrophobicContact CD1-CB 3.97Å; L336-N358 HydrophobicContact CD2-CB 4.44Å; Y355-N358 PolarHBondContact O-N 3Å; W356-N358 PolarHBondContact O-N 3.45Å; N358-S360 VanDerWaalsContact C-N 3.33Å; N358-A361 PolarHBondContact O-N 3.27Å |
| 359 | L | 88.4 | Confident | 85.6 | Confident | 23 Ų | 23 | 66.4 Ų | 66.4 | 12% | 0.12 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -72.3 | -26.8 | 179.6 | -66.2 | 173.6 | 0 | 0 | 0 | 112.6 | I337 L352 Y355 W356 A361 V362 F363 | I337-L359 HydrophobicContact CD1-CD1 4.32Å; I337-L359 HydrophobicContact CD1-CD2 4.33Å; I337-L359 HydrophobicContact CG1-CD2 4.46Å; L352-L359 HydrophobicContact CD1-CD1 3.5Å; L352-L359 VanDerWaalsContact CD1-CD1 3.5Å; L352-L359 HydrophobicContact CG-CD1 4.28Å; Y355-L359 WeakPolarHBondContact O-CG 3.33Å; Y355-L359 PolarHBondContact O-N 3.33Å; W356-L359 PolarHBondContact O-N 3.44Å; L359-A361 PolarHBondContact O-N 2.93Å; L359-V362 PolarHBondContact O-N 3.49Å; L359-F363 WeakPolarHBondContact O-CB 3.37Å; L359-F363 PolarHBondContact O-N 2.95Å |
| 360 | S | 90.4 | Very high | 87 | Confident | 48 Ų | 48 | 68.3 Ų | 68.3 | 34% | 0.336 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.5 | -33.9 | 176.9 | 72.4 | 0 | 0 | 0 | 0 | 112.4 | W356 K357 N358 S364 | W356-S360 VanDerWaalsContact O-CB 3.24Å; W356-S360 WeakPolarHBondContact O-CB 3.47Å; W356-S360 PolarHBondContact O-N 3.45Å; K357-S360 PolarHBondContact O-OG 3.08Å; N358-S360 VanDerWaalsContact C-N 3.33Å; S360-S364 VanDerWaalsContact O-CB 3.24Å; S360-S364 WeakPolarHBondContact O-CB 3.21Å; S360-S364 PolarHBondContact O-N 3.38Å |
| 361 | A | 91.5 | Very high | 88.2 | Confident | 11 Ų | 11 | 67.3 Ų | 67.3 | 9% | 0.091 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.6 | -46.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | N358 L359 G365 S408 V411 | N358-A361 PolarHBondContact O-N 3.27Å; L359-A361 PolarHBondContact O-N 2.93Å; A361-G365 PolarHBondContact O-N 3.39Å; A361-S408 WeakPolarHBondContact O-CB 3.33Å; A361-V411 HydrophobicContact CB-CG1 4.13Å |
| 362 | V | 93.5 | Very high | 89.1 | Confident | 9 Ų | 9 | 63.9 Ų | 63.9 | 6% | 0.055 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.1 | -48.1 | 176.5 | -177.4 | 0 | 0 | 0 | 0 | 110.6 | L332 L336 L359 S364 G365 C366 Y412 | L332-V362 HydrophobicContact CB-CG1 4.17Å; L332-V362 HydrophobicContact CB-CG2 4.29Å; L336-V362 HydrophobicContact CD1-CG2 3.92Å; L359-V362 PolarHBondContact O-N 3.49Å; V362-S364 PolarHBondContact O-N 3.21Å; V362-G365 PolarHBondContact O-N 3.5Å; V362-C366 WeakPolarHBondContact O-CB 3.46Å; V362-C366 PolarHBondContact O-N 2.86Å; V362-C366 PolarHBondContact O-SG 3.27Å; V362-Y412 HydrophobicContact CG2-CD2 3.44Å; V362-Y412 VanDerWaalsContact CG2-CD2 3.44Å; V362-Y412 HydrophobicContact CG2-CE2 3.69Å |
| 363 | F | 93.9 | Very high | 89.8 | Confident | 128 Ų | 128 | 61.6 Ų | 61.6 | 56% | 0.561 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -60.1 | -46.9 | -179.9 | 179 | -99.3 | 0 | 0 | 0 | 111.9 | L359 G365 C366 L367 | L359-F363 WeakPolarHBondContact O-CB 3.37Å; L359-F363 PolarHBondContact O-N 2.95Å; F363-G365 PolarHBondContact O-N 3.37Å; F363-C366 PolarHBondContact O-N 3.21Å; F363-L367 HydrophobicContact CE1-CD2 4.06Å; F363-L367 HydrophobicContact CZ-CD2 4.38Å; F363-L367 WeakPolarHBondContact O-CB 3.13Å; F363-L367 PolarHBondContact O-N 3.32Å |
| 364 | S | 93.6 | Very high | 90.3 | Very high | 57 Ų | 57 | 54.8 Ų | 54.8 | 40% | 0.399 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.3 | -44 | 178.1 | -172 | 0 | 0 | 0 | 0 | 111.7 | S360 V362 L367 C368 | S360-S364 VanDerWaalsContact O-CB 3.24Å; S360-S364 WeakPolarHBondContact O-CB 3.21Å; S360-S364 PolarHBondContact O-N 3.38Å; V362-S364 PolarHBondContact O-N 3.21Å; S364-L367 PolarHBondContact O-N 3.34Å; S364-C368 PolarHBondContact O-N 2.85Å; S364-C368 PolarHBondContact O-SG 2.92Å |
| 365 | G | 94.1 | Very high | 91.1 | Very high | 6 Ų | 6 | 55.2 Ų | 55.2 | 6% | 0.062 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.6 | -49 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A361 V362 F363 L367 C368 L369 S408 | A361-G365 PolarHBondContact O-N 3.39Å; V362-G365 PolarHBondContact O-N 3.5Å; F363-G365 PolarHBondContact O-N 3.37Å; G365-L367 VanDerWaalsContact C-N 3.31Å; G365-L367 PolarHBondContact O-N 2.98Å; G365-C368 PolarHBondContact O-N 3.29Å; G365-L369 WeakPolarHBondContact O-CG 3.37Å; G365-L369 PolarHBondContact O-N 3.1Å; G365-S408 WeakPolarHBondContact CA-OG 3.4Å |
| 366 | C | 95.1 | Very high | 91.6 | Very high | 39 Ų | 39 | 55.9 Ų | 55.9 | 26% | 0.264 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64 | -36.2 | 177.4 | -65.9 | 0 | 0 | 0 | 0 | 112.2 | A329 V362 F363 L369 F370 | A329-C366 HydrophobicContact CB-CB 4.42Å; A329-C366 VanDerWaalsContact CB-SG 3.57Å; V362-C366 WeakPolarHBondContact O-CB 3.46Å; V362-C366 PolarHBondContact O-N 2.86Å; V362-C366 PolarHBondContact O-SG 3.27Å; F363-C366 PolarHBondContact O-N 3.21Å; C366-L369 PolarHBondContact O-N 2.83Å; C366-F370 WeakPolarHBondContact O-CB 3.18Å; C366-F370 PolarHBondContact O-N 3.21Å |
| 367 | L | 95.1 | Very high | 91.9 | Very high | 75 Ų | 75 | 51.6 Ų | 51.6 | 39% | 0.393 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.7 | -42.9 | 175.8 | -178.8 | 62.9 | 0 | 0 | 0 | 111.5 | F363 S364 G365 F370 I371 | F363-L367 HydrophobicContact CE1-CD2 4.06Å; F363-L367 HydrophobicContact CZ-CD2 4.38Å; F363-L367 WeakPolarHBondContact O-CB 3.13Å; F363-L367 PolarHBondContact O-N 3.32Å; S364-L367 PolarHBondContact O-N 3.34Å; G365-L367 VanDerWaalsContact C-N 3.31Å; G365-L367 PolarHBondContact O-N 2.98Å; L367-F370 PolarHBondContact O-N 3.38Å; L367-I371 HydrophobicContact CD1-CD1 4.16Å; L367-I371 HydrophobicContact CD1-CG1 4.38Å; L367-I371 HydrophobicContact CG-CD1 4.04Å; L367-I371 VanDerWaalsContact O-CG1 3.27Å; L367-I371 WeakPolarHBondContact O-CG1 3.29Å; L367-I371 PolarHBondContact O-N 2.93Å |
| 368 | C | 95.3 | Very high | 92.4 | Very high | 12 Ų | 12 | 44.7 Ų | 44.7 | 8% | 0.081 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.3 | -45.8 | 175.6 | -70.5 | 0 | 0 | 0 | 0 | 111.9 | S364 G365 I371 F372 F401 A405 | S364-C368 PolarHBondContact O-N 2.85Å; S364-C368 PolarHBondContact O-SG 2.92Å; G365-C368 PolarHBondContact O-N 3.29Å; C368-I371 PolarHBondContact O-N 3.17Å; C368-F372 WeakPolarHBondContact O-CB 3.4Å; C368-F372 PolarHBondContact O-N 3.29Å; C368-F401 HydrophobicContact CB-CD1 4.41Å; C368-A405 HydrophobicContact CB-CB 4.32Å |
| 369 | L | 94.5 | Very high | 92.9 | Very high | 78 Ų | 78 | 45.4 Ų | 45.4 | 41% | 0.408 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.9 | -40.5 | 176.9 | -67.8 | 176.1 | 0 | 0 | 0 | 112.1 | G365 C366 I371 F372 D373 A405 | G365-L369 WeakPolarHBondContact O-CG 3.37Å; G365-L369 PolarHBondContact O-N 3.1Å; C366-L369 PolarHBondContact O-N 2.83Å; L369-I371 PolarHBondContact O-N 3.23Å; L369-F372 WeakPolarHBondContact O-CB 3.43Å; L369-F372 PolarHBondContact O-N 2.93Å; L369-D373 PolarHBondContact O-N 3.11Å; L369-A405 HydrophobicContact CD1-CB 4.4Å; L369-A405 HydrophobicContact CD2-CB 3.75Å; L369-A405 HydrophobicContact CG-CB 3.78Å |
| 370 | F | 94.9 | Very high | 93 | Very high | 103 Ų | 103 | 45.6 Ų | 45.6 | 45% | 0.452 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 175.6 | 172 | -103.7 | 0 | 0 | 0 | 112.3 | L322 C366 L367 F372 A374 | L322-F370 HydrophobicContact CD1-CD2 3.7Å; L322-F370 HydrophobicContact CD1-CE2 3.7Å; C366-F370 WeakPolarHBondContact O-CB 3.18Å; C366-F370 PolarHBondContact O-N 3.21Å; L367-F370 PolarHBondContact O-N 3.38Å; F370-F372 VanDerWaalsContact C-N 3.33Å; F370-A374 VanDerWaalsContact O-CB 3.22Å; F370-A374 WeakPolarHBondContact O-CB 3.45Å; F370-A374 PolarHBondContact O-N 3.41Å |
| 371 | I | 94.6 | Very high | 93 | Very high | 57 Ų | 57 | 46.8 Ų | 46.8 | 29% | 0.292 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 176.3 | -67.3 | 166 | 0 | 0 | 0 | 110.2 | L367 C368 L369 A374 C375 F401 | L367-I371 HydrophobicContact CD1-CD1 4.16Å; L367-I371 HydrophobicContact CD1-CG1 4.38Å; L367-I371 HydrophobicContact CG-CD1 4.04Å; L367-I371 VanDerWaalsContact O-CG1 3.27Å; L367-I371 WeakPolarHBondContact O-CG1 3.29Å; L367-I371 PolarHBondContact O-N 2.93Å; C368-I371 PolarHBondContact O-N 3.17Å; L369-I371 PolarHBondContact O-N 3.23Å; I371-A374 PolarHBondContact O-N 3.47Å; I371-C375 WeakPolarHBondContact O-CB 3.47Å; I371-C375 PolarHBondContact O-N 2.61Å; I371-C375 PolarHBondContact O-SG 3.49Å; I371-F401 HydrophobicContact CB-CE1 4.32Å; I371-F401 HydrophobicContact CB-CZ 4.41Å; I371-F401 HydrophobicContact CD1-CE1 4.36Å; I371-F401 HydrophobicContact CG2-CD1 4.4Å; I371-F401 HydrophobicContact CG2-CD2 4.34Å; I371-F401 HydrophobicContact CG2-CE1 3.81Å; I371-F401 HydrophobicContact CG2-CE2 3.73Å; I371-F401 HydrophobicContact CG2-CZ 3.45Å; I371-F401 VanDerWaalsContact CG2-CZ 3.45Å |
| 372 | F | 93.8 | Very high | 93 | Very high | 21 Ų | 21 | 51.7 Ų | 51.7 | 9% | 0.092 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.8 | -53.4 | 175.6 | 172.2 | -102.3 | 0 | 0 | 0 | 111.8 | C368 L369 F370 A374 C375 E376 I388 W389 A398 F401 I402 | C368-F372 WeakPolarHBondContact O-CB 3.4Å; C368-F372 PolarHBondContact O-N 3.29Å; L369-F372 WeakPolarHBondContact O-CB 3.43Å; L369-F372 PolarHBondContact O-N 2.93Å; F370-F372 VanDerWaalsContact C-N 3.33Å; F372-A374 VanDerWaalsContact C-N 3.3Å; F372-A374 PolarHBondContact O-N 3.34Å; F372-C375 PolarHBondContact O-N 2.84Å; F372-C375 VanDerWaalsContact O-N 3.11Å; F372-E376 WeakPolarHBondContact CE1-OE2 3.41Å; F372-E376 WeakPolarHBondContact CZ-OE2 3.41Å; F372-E376 PolarHBondContact O-N 3.18Å; F372-I388 HydrophobicContact CE2-CG2 4.22Å; F372-W389 AromaticContact CE2-CZ2 3.99Å; F372-W389 HydrophobicContact CE2-CZ2 3.99Å; F372-W389 AromaticContact CZ-CZ2 3.97Å; F372-W389 HydrophobicContact CZ-CZ2 3.97Å; F372-A398 HydrophobicContact CD2-CB 4.14Å; F372-A398 HydrophobicContact CE2-CB 3.82Å; F372-F401 HydrophobicContact CB-CB 4.17Å; F372-I402 HydrophobicContact CD2-CG1 4.49Å; F372-I402 HydrophobicContact CE2-CD1 4.11Å; F372-I402 HydrophobicContact CZ-CD1 4.24Å |
| 373 | D | 92.7 | Very high | 93 | Very high | 44 Ų | 44 | 52.9 Ų | 52.9 | 24% | 0.235 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.5 | -38 | 178.9 | -67.1 | -19.9 | 0 | 0 | 0 | 111.9 | L318 L369 E376 R377 G378 | L318-D373 HydrophobicContact CD1-CB 4.4Å; L369-D373 PolarHBondContact O-N 3.11Å; D373-E376 PolarHBondContact O-N 2.88Å; D373-R377 WeakPolarHBondContact O-CB 3.33Å; D373-R377 PolarHBondContact O-N 3.47Å; D373-G378 PolarHBondContact O-N 3.3Å |
| 374 | A | 92.5 | Very high | 93 | Very high | 39 Ų | 39 | 47.4 Ų | 47.4 | 32% | 0.322 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.8 | -35.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F370 I371 F372 G378 | F370-A374 VanDerWaalsContact O-CB 3.22Å; F370-A374 WeakPolarHBondContact O-CB 3.45Å; F370-A374 PolarHBondContact O-N 3.41Å; I371-A374 PolarHBondContact O-N 3.47Å; F372-A374 VanDerWaalsContact C-N 3.3Å; F372-A374 PolarHBondContact O-N 3.34Å; A374-G378 WeakPolarHBondContact O-CA 3.04Å; A374-G378 PolarHBondContact O-N 2.97Å |
| 375 | C | 92.4 | Very high | 93 | Very high | 50 Ų | 50 | 44.7 Ų | 44.7 | 34% | 0.338 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -75.9 | -31.4 | 176.2 | -73.8 | 0 | 0 | 0 | 0 | 112.9 | I371 F372 V379 Y386 I388 | I371-C375 WeakPolarHBondContact O-CB 3.47Å; I371-C375 PolarHBondContact O-N 2.61Å; I371-C375 PolarHBondContact O-SG 3.49Å; F372-C375 PolarHBondContact O-N 2.84Å; F372-C375 VanDerWaalsContact O-N 3.11Å; C375-V379 WeakPolarHBondContact O-CG2 3.29Å; C375-Y386 WeakPolarHBondContact O-CE1 3.41Å; C375-I388 HydrophobicContact CB-CD1 4.11Å |
| 376 | E | 90.6 | Very high | 92.9 | Very high | 25 Ų | 25 | 47.7 Ų | 47.7 | 12% | 0.117 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -86.3 | -78 | 177.4 | -172.6 | 171 | -129.4 | 0 | 0 | 110.5 | F372 D373 G378 V379 H380 I388 W389 | F372-E376 WeakPolarHBondContact CE1-OE2 3.41Å; F372-E376 WeakPolarHBondContact CZ-OE2 3.41Å; F372-E376 PolarHBondContact O-N 3.18Å; D373-E376 PolarHBondContact O-N 2.88Å; E376-G378 VanDerWaalsContact C-N 3.34Å; E376-G378 PolarHBondContact O-N 3.15Å; E376-V379 PolarHBondContact O-N 3.32Å; E376-H380 PolarHBondContact O-CD2 3.08Å; E376-H380 PolarHBondContact O-N 3Å; E376-H380 PolarHBondContact O-NE2 3.28Å; E376-I388 HydrophobicContact CB-CG2 4.42Å; E376-I388 HydrophobicContact CG-CG2 4.32Å; E376-W389 PolarHBondContact OE1-NE1 3.24Å |
| 377 | R | 90.4 | Very high | 92.7 | Very high | 66 Ų | 66 | 46.1 Ų | 46.1 | 25% | 0.249 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.4 | -27.6 | -175.8 | -64.5 | -178.2 | 178 | -169.7 | 1.2 | 113.6 | L318 D321 D373 V379 H380 | L318-R377 HydrophobicContact CB-CB 4.49Å; L318-R377 HydrophobicContact CD1-CB 4.21Å; D321-R377 IonicContact OD1-NH1 3.5Å; D321-R377 PolarHBondContact OD1-NH1 3.09Å; D321-R377 WeakPolarHBondContact OD2-CD 3.3Å; D321-R377 IonicContact OD2-CZ 3.82Å; D321-R377 IonicContact OD2-NE 2.75Å; D321-R377 IonicContact OD2-NH1 3.55Å; D321-R377 PolarHBondContact OD2-NH1 3.27Å; D373-R377 WeakPolarHBondContact O-CB 3.33Å; D373-R377 PolarHBondContact O-N 3.47Å; R377-V379 VanDerWaalsContact C-N 3.3Å; R377-V379 PolarHBondContact O-N 3.02Å; R377-H380 WeakPolarHBondContact O-CB 3.48Å; R377-H380 PolarHBondContact O-N 3.15Å |
| 378 | G | 92.4 | Very high | 92.5 | Very high | 19 Ų | 19 | 42.8 Ų | 42.8 | 20% | 0.196 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.2 | -32.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | D373 A374 E376 L381 | D373-G378 PolarHBondContact O-N 3.3Å; A374-G378 WeakPolarHBondContact O-CA 3.04Å; A374-G378 PolarHBondContact O-N 2.97Å; E376-G378 VanDerWaalsContact C-N 3.34Å; E376-G378 PolarHBondContact O-N 3.15Å; G378-L381 WeakPolarHBondContact O-CB 3.22Å |
| 379 | V | 91.9 | Very high | 92.2 | Very high | 44 Ų | 44 | 46.2 Ų | 46.2 | 27% | 0.267 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -77.5 | -29.7 | 176.2 | -179.2 | 0 | 0 | 0 | 0 | 111.3 | C375 E376 R377 L381 T382 N383 Y386 | C375-V379 WeakPolarHBondContact O-CG2 3.29Å; E376-V379 PolarHBondContact O-N 3.32Å; R377-V379 VanDerWaalsContact C-N 3.3Å; R377-V379 PolarHBondContact O-N 3.02Å; V379-L381 PolarHBondContact O-N 3.49Å; V379-T382 PolarHBondContact O-N 3.42Å; V379-T382 PolarHBondContact O-OG1 2.51Å; V379-N383 PolarHBondContact O-N 2.91Å; V379-Y386 HydrophobicContact CB-CD1 3.59Å; V379-Y386 HydrophobicContact CB-CE1 3.91Å; V379-Y386 HydrophobicContact CB-CG 4.07Å; V379-Y386 HydrophobicContact CG1-CD1 3.5Å; V379-Y386 VanDerWaalsContact CG1-CD1 3.5Å; V379-Y386 HydrophobicContact CG1-CD2 3.88Å; V379-Y386 HydrophobicContact CG1-CE1 4Å; V379-Y386 HydrophobicContact CG1-CE2 4.34Å; V379-Y386 HydrophobicContact CG1-CG 3.42Å; V379-Y386 VanDerWaalsContact CG1-CG 3.42Å; V379-Y386 HydrophobicContact CG2-CD1 4.34Å; V379-Y386 HydrophobicContact CG2-CE1 4.16Å |
| 380 | H | 90.9 | Very high | 91.7 | Very high | 26 Ų | 26 | 43.6 Ų | 43.6 | 12% | 0.12 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.4 | -26.6 | 175.3 | -63.1 | 178 | 0 | 0 | 0 | 113 | E205 E376 R377 T382 N383 Y386 | E205-H380 IonicContact OE2-CE1 2.61Å; E205-H380 PolarHBondContact OE2-CE1 2.96Å; E205-H380 IonicContact OE2-ND1 2.84Å; E205-H380 PolarHBondContact OE2-ND1 3.38Å; E376-H380 PolarHBondContact O-CD2 3.08Å; E376-H380 PolarHBondContact O-N 3Å; E376-H380 PolarHBondContact O-NE2 3.28Å; R377-H380 WeakPolarHBondContact O-CB 3.48Å; R377-H380 PolarHBondContact O-N 3.15Å; H380-T382 PolarHBondContact O-N 2.95Å; H380-N383 WeakPolarHBondContact CA-O 3.46Å; H380-N383 CarbonylContact O-C 3.55Å; H380-Y386 PolarHBondContact CD2-O 3.24Å; H380-Y386 PolarHBondContact NE2-O 2.99Å |
| 381 | L | 89.8 | Confident | 91.3 | Very high | 74 Ų | 74 | 41.9 Ų | 41.9 | 39% | 0.387 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -31 | 174.5 | -64.2 | 177.2 | 0 | 0 | 0 | 114 | P314 F315 L318 G378 V379 | P314-L381 HydrophobicContact CB-CD2 4.17Å; P314-L381 HydrophobicContact CG-CD2 4.41Å; P314-L381 WeakPolarHBondContact O-CD2 3.45Å; F315-L381 HydrophobicContact CB-CD1 4.41Å; F315-L381 HydrophobicContact CB-CD2 3.74Å; L318-L381 HydrophobicContact CD2-CD1 4.44Å; G378-L381 WeakPolarHBondContact O-CB 3.22Å; V379-L381 PolarHBondContact O-N 3.49Å |
| 382 | T | 91 | Very high | 90.9 | Very high | 113 Ų | 113 | 44.8 Ų | 44.8 | 69% | 0.693 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | -36.4 | -179.7 | 59.9 | 0 | 0 | 0 | 0 | 111.8 | V379 H380 | V379-T382 PolarHBondContact O-N 3.42Å; V379-T382 PolarHBondContact O-OG1 2.51Å; H380-T382 PolarHBondContact O-N 2.95Å |
| 383 | N | 92.6 | Very high | 90.7 | Very high | 34 Ų | 34 | 48.9 Ų | 48.9 | 18% | 0.182 | 27% | 0.271 | C | S | . | . | trans | -139.2 | 99.7 | 179.1 | -177.4 | 2.4 | 0 | 0 | 0 | 109.9 | I173 V379 H380 F385 Y386 | I173-N383 HydrophobicContact CD1-CB 4.3Å; V379-N383 PolarHBondContact O-N 2.91Å; H380-N383 WeakPolarHBondContact CA-O 3.46Å; H380-N383 CarbonylContact O-C 3.55Å; N383-F385 PolarHBondContact O-N 2.84Å; N383-F385 VanDerWaalsContact O-N 3.14Å; N383-F385 WeakPolarHBondContact OD1-CB 3.28Å; N383-F385 PolarHBondContact OD1-N 3.36Å; N383-Y386 VanDerWaalsContact O-CB 3.3Å; N383-Y386 WeakPolarHBondContact O-CB 3.47Å; N383-Y386 PolarHBondContact O-N 2.89Å | ||
| 384 | P | 93.8 | Very high | 90.5 | Very high | 14 Ų | 14 | 47.1 Ų | 47.1 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -14.2 | 179.9 | 27.9 | -36.6 | 0 | 0 | 0 | 113.5 | I173 F204 E205 L206 | I173-P384 HydrophobicContact CG2-CG 4.12Å; F204-P384 CarbonylContact C-O 3.51Å; F204-P384 WeakPolarHBondContact CA-O 3.31Å; E205-P384 PolarHBondContact N-O 2.97Å; E205-P384 WeakPolarHBondContact O-CB 3.45Å; L206-P384 HydrophobicContact CD2-CB 3.61Å; L206-P384 HydrophobicContact CD2-CG 3.87Å |
| 385 | F | 94 | Very high | 90.4 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | 1.6 | 175.3 | -63.1 | -90.5 | 0 | 0 | 0 | 113.3 | V155 M157 I173 T175 I177 R179 L203 F204 L216 N383 | V155-F385 HydrophobicContact CB-CD1 4.27Å; V155-F385 HydrophobicContact CB-CE1 3.93Å; V155-F385 HydrophobicContact CB-CZ 4.23Å; V155-F385 HydrophobicContact CG1-CE1 4.45Å; V155-F385 HydrophobicContact CG2-CB 4.47Å; V155-F385 HydrophobicContact CG2-CD1 3.63Å; V155-F385 HydrophobicContact CG2-CD2 4.11Å; V155-F385 HydrophobicContact CG2-CE1 3.74Å; V155-F385 HydrophobicContact CG2-CE2 4.22Å; V155-F385 HydrophobicContact CG2-CG 3.83Å; V155-F385 HydrophobicContact CG2-CZ 4.03Å; M157-F385 HydrophobicContact CB-CE2 4.08Å; M157-F385 HydrophobicContact CB-CZ 3.97Å; M157-F385 HydrophobicContact CE-CZ 3.96Å; I173-F385 HydrophobicContact CG2-CD2 3.92Å; I173-F385 HydrophobicContact CG2-CE2 3.5Å; I173-F385 VanDerWaalsContact CG2-CE2 3.5Å; T175-F385 HydrophobicContact CG2-CB 4.06Å; T175-F385 HydrophobicContact CG2-CD2 3.95Å; T175-F385 HydrophobicContact CG2-CG 4.18Å; I177-F385 HydrophobicContact CD1-CD1 4.39Å; I177-F385 HydrophobicContact CG2-CB 3.78Å; R179-F385 PolarHBondContact NH2-O 2.94Å; L203-F385 HydrophobicContact CD1-CD1 4.19Å; L203-F385 HydrophobicContact CD1-CE1 4.32Å; L203-F385 HydrophobicContact CD2-CE1 4.45Å; L203-F385 HydrophobicContact CG-CD1 4.08Å; L203-F385 HydrophobicContact CG-CE1 3.97Å; L203-F385 WeakPolarHBondContact O-CA 3.46Å; L203-F385 WeakPolarHBondContact O-CD1 3.31Å; F204-F385 HydrophobicContact CB-CD1 3.74Å; F204-F385 HydrophobicContact CB-CE1 3.76Å; F204-F385 HydrophobicContact CB-CG 4.19Å; F204-F385 HydrophobicContact CB-CZ 4.21Å; F204-F385 HydrophobicContact CD1-CE1 4.07Å; F204-F385 HydrophobicContact CG-CE1 4.3Å; L216-F385 HydrophobicContact CD1-CE1 4.09Å; L216-F385 HydrophobicContact CD1-CZ 3.91Å; N383-F385 PolarHBondContact O-N 2.84Å; N383-F385 VanDerWaalsContact O-N 3.14Å; N383-F385 WeakPolarHBondContact OD1-CB 3.28Å; N383-F385 PolarHBondContact OD1-N 3.36Å |
| 386 | Y | 92.3 | Very high | 90.5 | Very high | 69 Ų | 69 | 49 Ų | 49 | 27% | 0.271 | 27% | 0.265 | S | S | . | . | trans | -68.3 | 147.3 | 173.1 | -179.9 | -98.5 | 0 | 0 | 0 | 110.1 | C375 V379 H380 N383 I388 | C375-Y386 WeakPolarHBondContact O-CE1 3.41Å; V379-Y386 HydrophobicContact CB-CD1 3.59Å; V379-Y386 HydrophobicContact CB-CE1 3.91Å; V379-Y386 HydrophobicContact CB-CG 4.07Å; V379-Y386 HydrophobicContact CG1-CD1 3.5Å; V379-Y386 VanDerWaalsContact CG1-CD1 3.5Å; V379-Y386 HydrophobicContact CG1-CD2 3.88Å; V379-Y386 HydrophobicContact CG1-CE1 4Å; V379-Y386 HydrophobicContact CG1-CE2 4.34Å; V379-Y386 HydrophobicContact CG1-CG 3.42Å; V379-Y386 VanDerWaalsContact CG1-CG 3.42Å; V379-Y386 HydrophobicContact CG2-CD1 4.34Å; V379-Y386 HydrophobicContact CG2-CE1 4.16Å; H380-Y386 PolarHBondContact CD2-O 3.24Å; H380-Y386 PolarHBondContact NE2-O 2.99Å; N383-Y386 VanDerWaalsContact O-CB 3.3Å; N383-Y386 WeakPolarHBondContact O-CB 3.47Å; N383-Y386 PolarHBondContact O-N 2.89Å; Y386-I388 HydrophobicContact CE1-CB 4.32Å | ||
| 387 | S | 91.9 | Very high | 90.6 | Very high | 6 Ų | 6 | 51.5 Ų | 51.5 | 4% | 0.042 | 28% | 0.279 | C | S | . | . | trans | -150.5 | 129.6 | 168.3 | 171.4 | 0 | 0 | 0 | 0 | 107.5 | W389 S390 | S387-W389 PolarHBondContact O-N 2.89Å; S387-W389 PolarHBondContact OG-N 2.96Å; S387-S390 WeakPolarHBondContact O-CB 3.41Å; S387-S390 PolarHBondContact O-N 3.26Å; S387-S390 VanDerWaalsContact O-N 3.15Å; S387-S390 PolarHBondContact O-OG 3.49Å | ||
| 388 | I | 90.2 | Very high | 90.7 | Very high | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -62.6 | -27.3 | -179.5 | -167.8 | 164.3 | 0 | 0 | 0 | 111.7 | F372 C375 E376 Y386 S390 G394 T395 A398 | F372-I388 HydrophobicContact CE2-CG2 4.22Å; C375-I388 HydrophobicContact CB-CD1 4.11Å; E376-I388 HydrophobicContact CB-CG2 4.42Å; E376-I388 HydrophobicContact CG-CG2 4.32Å; Y386-I388 HydrophobicContact CE1-CB 4.32Å; I388-S390 PolarHBondContact O-N 3.42Å; I388-G394 WeakPolarHBondContact CG1-O 3.39Å; I388-G394 CarbonylContact O-C 3.57Å; I388-G394 VanDerWaalsContact O-C 3.3Å; I388-G394 WeakPolarHBondContact O-CA 3.42Å; I388-T395 PolarHBondContact O-N 3.11Å; I388-A398 HydrophobicContact CD1-CB 3.93Å; I388-A398 HydrophobicContact CG1-CB 4.14Å; I388-A398 HydrophobicContact CG2-CB 4.16Å |
| 389 | W | 88.1 | Confident | 90.8 | Very high | 84 Ų | 84 | 52.8 Ų | 52.8 | 32% | 0.318 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -73.3 | -8 | 179.5 | -51.3 | 106.8 | 0 | 0 | 0 | 114.1 | F372 E376 S387 T395 A398 Y399 I402 | F372-W389 AromaticContact CE2-CZ2 3.99Å; F372-W389 HydrophobicContact CE2-CZ2 3.99Å; F372-W389 AromaticContact CZ-CZ2 3.97Å; F372-W389 HydrophobicContact CZ-CZ2 3.97Å; E376-W389 PolarHBondContact OE1-NE1 3.24Å; S387-W389 PolarHBondContact O-N 2.89Å; S387-W389 PolarHBondContact OG-N 2.96Å; W389-T395 WeakPolarHBondContact CA-OG1 3.33Å; W389-T395 HydrophobicContact CE3-CG2 4.03Å; W389-T395 HydrophobicContact CZ3-CG2 4.32Å; W389-T395 PolarHBondContact O-OG1 3.04Å; W389-A398 HydrophobicContact CE3-CB 4.36Å; W389-A398 HydrophobicContact CH2-CB 3.76Å; W389-A398 HydrophobicContact CZ2-CB 4.17Å; W389-A398 HydrophobicContact CZ3-CB 3.85Å; W389-Y399 HydrophobicContact CH2-CE1 4.42Å; W389-Y399 HydrophobicContact CZ3-CD1 4.26Å; W389-Y399 AromaticContact CZ3-CE1 3.92Å; W389-Y399 HydrophobicContact CZ3-CE1 3.92Å; W389-Y399 HydrophobicContact CZ3-CE2 4.42Å; W389-I402 HydrophobicContact CH2-CD1 3.71Å; W389-I402 HydrophobicContact CZ2-CD1 4.12Å |
| 390 | S | 85.2 | Confident | 90.9 | Very high | 22 Ų | 22 | 54.9 Ų | 54.9 | 15% | 0.154 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -77.1 | -31.5 | -178.9 | 62.9 | 0 | 0 | 0 | 0 | 113.9 | S178 S387 I388 | S178-S390 WeakPolarHBondContact O-CB 3.01Å; S387-S390 WeakPolarHBondContact O-CB 3.41Å; S387-S390 PolarHBondContact O-N 3.26Å; S387-S390 VanDerWaalsContact O-N 3.15Å; S387-S390 PolarHBondContact O-OG 3.49Å; I388-S390 PolarHBondContact O-N 3.42Å |
| 391 | T | 85.7 | Confident | 91.1 | Very high | 67 Ų | 67 | 55.5 Ų | 55.5 | 41% | 0.411 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -106.3 | 145.1 | -177.4 | 64.4 | 0 | 0 | 0 | 0 | 110.8 | V393 G394 T395 | T391-V393 VanDerWaalsContact C-N 3.28Å; T391-V393 PolarHBondContact O-N 2.82Å; T391-G394 PolarHBondContact O-N 3.24Å; T391-G394 WeakPolarHBondContact OG1-CA 3.31Å; T391-G394 PolarHBondContact OG1-N 3.37Å; T391-T395 VanDerWaalsContact O-CB 3.3Å; T391-T395 WeakPolarHBondContact O-CB 3.25Å; T391-T395 PolarHBondContact O-N 3.3Å; T391-T395 PolarHBondContact O-OG1 3.1Å |
| 392 | N | 85.8 | Confident | 91.3 | Very high | 118 Ų | 118 | 54.6 Ų | 54.6 | 63% | 0.631 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -60.8 | -39.4 | 176.4 | -69.8 | -32.4 | 0 | 0 | 0 | 111.8 | N396 | N392-N396 WeakPolarHBondContact O-CB 3.35Å; N392-N396 PolarHBondContact O-N 3.23Å; N392-N396 PolarHBondContact O-ND2 3.34Å |
| 393 | V | 89.7 | Confident | 91.5 | Very high | 107 Ų | 107 | 53.7 Ų | 53.7 | 65% | 0.648 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -67.5 | -47.1 | 177.4 | -178.9 | 0 | 0 | 0 | 0 | 110.7 | T391 N396 L397 | T391-V393 VanDerWaalsContact C-N 3.28Å; T391-V393 PolarHBondContact O-N 2.82Å; V393-N396 PolarHBondContact O-N 2.95Å; V393-L397 HydrophobicContact CG1-CD1 4.11Å; V393-L397 WeakPolarHBondContact O-CG 3.5Å; V393-L397 PolarHBondContact O-N 3.48Å |
| 394 | G | 89.8 | Confident | 91.7 | Very high | 7 Ų | 7 | 55.5 Ų | 55.5 | 7% | 0.072 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.2 | -47 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I388 T391 N396 L397 A398 | I388-G394 WeakPolarHBondContact CG1-O 3.39Å; I388-G394 CarbonylContact O-C 3.57Å; I388-G394 VanDerWaalsContact O-C 3.3Å; I388-G394 WeakPolarHBondContact O-CA 3.42Å; T391-G394 PolarHBondContact O-N 3.24Å; T391-G394 WeakPolarHBondContact OG1-CA 3.31Å; T391-G394 PolarHBondContact OG1-N 3.37Å; G394-N396 PolarHBondContact O-N 3.45Å; G394-L397 WeakPolarHBondContact O-CB 2.93Å; G394-L397 PolarHBondContact O-N 3.49Å; G394-L397 VanDerWaalsContact O-N 3.16Å; G394-A398 WeakPolarHBondContact O-CB 3.48Å; G394-A398 PolarHBondContact O-N 3.12Å |
| 395 | T | 90.2 | Very high | 91.7 | Very high | 19 Ų | 19 | 55.2 Ų | 55.2 | 12% | 0.117 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 177.6 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | I388 W389 T391 L397 A398 Y399 | I388-T395 PolarHBondContact O-N 3.11Å; W389-T395 WeakPolarHBondContact CA-OG1 3.33Å; W389-T395 HydrophobicContact CE3-CG2 4.03Å; W389-T395 HydrophobicContact CZ3-CG2 4.32Å; W389-T395 PolarHBondContact O-OG1 3.04Å; T391-T395 VanDerWaalsContact O-CB 3.3Å; T391-T395 WeakPolarHBondContact O-CB 3.25Å; T391-T395 PolarHBondContact O-N 3.3Å; T391-T395 PolarHBondContact O-OG1 3.1Å; T395-L397 VanDerWaalsContact C-N 3.34Å; T395-L397 PolarHBondContact O-N 3.31Å; T395-A398 PolarHBondContact O-N 3.28Å; T395-Y399 HydrophobicContact CG2-CD2 3.64Å; T395-Y399 HydrophobicContact CG2-CE2 3.28Å; T395-Y399 WeakPolarHBondContact O-CD2 3.45Å; T395-Y399 PolarHBondContact O-N 3.08Å |
| 396 | N | 93.8 | Very high | 91.8 | Very high | 109 Ų | 109 | 59.7 Ų | 59.7 | 58% | 0.583 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -64.2 | -38.3 | 176.5 | -73 | -17.6 | 0 | 0 | 0 | 112.2 | N392 V393 G394 L400 | N392-N396 WeakPolarHBondContact O-CB 3.35Å; N392-N396 PolarHBondContact O-N 3.23Å; N392-N396 PolarHBondContact O-ND2 3.34Å; V393-N396 PolarHBondContact O-N 2.95Å; G394-N396 PolarHBondContact O-N 3.45Å; N396-L400 WeakPolarHBondContact O-CB 3.04Å; N396-L400 PolarHBondContact O-N 2.92Å |
| 397 | L | 93.2 | Very high | 91.9 | Very high | 78 Ų | 78 | 60.9 Ų | 60.9 | 41% | 0.408 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.4 | -43.2 | 174.6 | -73.8 | 172 | 0 | 0 | 0 | 111.9 | V393 G394 T395 L400 F401 | V393-L397 HydrophobicContact CG1-CD1 4.11Å; V393-L397 WeakPolarHBondContact O-CG 3.5Å; V393-L397 PolarHBondContact O-N 3.48Å; G394-L397 WeakPolarHBondContact O-CB 2.93Å; G394-L397 PolarHBondContact O-N 3.49Å; G394-L397 VanDerWaalsContact O-N 3.16Å; T395-L397 VanDerWaalsContact C-N 3.34Å; T395-L397 PolarHBondContact O-N 3.31Å; L397-L400 WeakPolarHBondContact O-CB 3.37Å; L397-L400 PolarHBondContact O-N 3.35Å; L397-F401 HydrophobicContact CB-CE2 4.37Å; L397-F401 WeakPolarHBondContact O-CD2 2.88Å; L397-F401 PolarHBondContact O-N 3.3Å |
| 398 | A | 92.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58 | -50.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | F372 I388 W389 G394 T395 L400 F401 I402 | F372-A398 HydrophobicContact CD2-CB 4.14Å; F372-A398 HydrophobicContact CE2-CB 3.82Å; I388-A398 HydrophobicContact CD1-CB 3.93Å; I388-A398 HydrophobicContact CG1-CB 4.14Å; I388-A398 HydrophobicContact CG2-CB 4.16Å; W389-A398 HydrophobicContact CE3-CB 4.36Å; W389-A398 HydrophobicContact CH2-CB 3.76Å; W389-A398 HydrophobicContact CZ2-CB 4.17Å; W389-A398 HydrophobicContact CZ3-CB 3.85Å; G394-A398 WeakPolarHBondContact O-CB 3.48Å; G394-A398 PolarHBondContact O-N 3.12Å; T395-A398 PolarHBondContact O-N 3.28Å; A398-L400 VanDerWaalsContact C-N 3.3Å; A398-L400 PolarHBondContact O-N 2.93Å; A398-F401 PolarHBondContact O-N 2.65Å; A398-I402 VanDerWaalsContact O-CG1 3.31Å; A398-I402 WeakPolarHBondContact O-CG1 3.47Å; A398-I402 PolarHBondContact O-N 3.15Å |
| 399 | Y | 93.9 | Very high | 92.2 | Very high | 113 Ų | 113 | 63.1 Ų | 63.1 | 44% | 0.443 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.1 | -41.9 | 175 | -76 | -48.4 | 0 | 0 | 0 | 112.2 | W389 T395 I402 I403 | W389-Y399 HydrophobicContact CH2-CE1 4.42Å; W389-Y399 HydrophobicContact CZ3-CD1 4.26Å; W389-Y399 AromaticContact CZ3-CE1 3.92Å; W389-Y399 HydrophobicContact CZ3-CE1 3.92Å; W389-Y399 HydrophobicContact CZ3-CE2 4.42Å; T395-Y399 HydrophobicContact CG2-CD2 3.64Å; T395-Y399 HydrophobicContact CG2-CE2 3.28Å; T395-Y399 WeakPolarHBondContact O-CD2 3.45Å; T395-Y399 PolarHBondContact O-N 3.08Å; Y399-I402 PolarHBondContact O-N 3.18Å; Y399-I403 VanDerWaalsContact O-CB 3.24Å; Y399-I403 WeakPolarHBondContact O-CB 3.49Å; Y399-I403 WeakPolarHBondContact O-CD1 3.37Å; Y399-I403 WeakPolarHBondContact O-CG1 3.36Å; Y399-I403 PolarHBondContact O-N 3.46Å |
| 400 | L | 95.2 | Very high | 92.5 | Very high | 88 Ų | 88 | 61.7 Ų | 61.7 | 46% | 0.461 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.1 | -50.2 | 176.6 | 178.3 | 65.8 | 0 | 0 | 0 | 111.5 | N396 L397 A398 I403 L404 | N396-L400 WeakPolarHBondContact O-CB 3.04Å; N396-L400 PolarHBondContact O-N 2.92Å; L397-L400 WeakPolarHBondContact O-CB 3.37Å; L397-L400 PolarHBondContact O-N 3.35Å; A398-L400 VanDerWaalsContact C-N 3.3Å; A398-L400 PolarHBondContact O-N 2.93Å; L400-I403 PolarHBondContact O-N 2.79Å; L400-L404 HydrophobicContact CD1-CD1 4.05Å; L400-L404 HydrophobicContact CD1-CG 4.27Å; L400-L404 HydrophobicContact CG-CD1 4.05Å; L400-L404 WeakPolarHBondContact O-CB 3.2Å; L400-L404 VanDerWaalsContact O-CG 3.22Å; L400-L404 WeakPolarHBondContact O-CG 3.2Å; L400-L404 PolarHBondContact O-N 3.34Å |
| 401 | F | 94.7 | Very high | 92.9 | Very high | 38 Ų | 38 | 63.4 Ų | 63.4 | 17% | 0.167 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.4 | -42.4 | -179.9 | -68 | -55.7 | 0 | 0 | 0 | 112.5 | C368 I371 F372 L397 A398 L404 A405 | C368-F401 HydrophobicContact CB-CD1 4.41Å; I371-F401 HydrophobicContact CB-CE1 4.32Å; I371-F401 HydrophobicContact CB-CZ 4.41Å; I371-F401 HydrophobicContact CD1-CE1 4.36Å; I371-F401 HydrophobicContact CG2-CD1 4.4Å; I371-F401 HydrophobicContact CG2-CD2 4.34Å; I371-F401 HydrophobicContact CG2-CE1 3.81Å; I371-F401 HydrophobicContact CG2-CE2 3.73Å; I371-F401 HydrophobicContact CG2-CZ 3.45Å; I371-F401 VanDerWaalsContact CG2-CZ 3.45Å; F372-F401 HydrophobicContact CB-CB 4.17Å; L397-F401 HydrophobicContact CB-CE2 4.37Å; L397-F401 WeakPolarHBondContact O-CD2 2.88Å; L397-F401 PolarHBondContact O-N 3.3Å; A398-F401 PolarHBondContact O-N 2.65Å; F401-L404 PolarHBondContact O-N 3.45Å; F401-A405 WeakPolarHBondContact O-CB 3.35Å; F401-A405 PolarHBondContact O-N 2.94Å |
| 402 | I | 93.7 | Very high | 93.2 | Very high | 55 Ų | 55 | 60.6 Ų | 60.6 | 28% | 0.282 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65 | -46.1 | 177.9 | -66.2 | 166.3 | 0 | 0 | 0 | 110.7 | F372 W389 A398 Y399 L404 A405 V406 | F372-I402 HydrophobicContact CD2-CG1 4.49Å; F372-I402 HydrophobicContact CE2-CD1 4.11Å; F372-I402 HydrophobicContact CZ-CD1 4.24Å; W389-I402 HydrophobicContact CH2-CD1 3.71Å; W389-I402 HydrophobicContact CZ2-CD1 4.12Å; A398-I402 VanDerWaalsContact O-CG1 3.31Å; A398-I402 WeakPolarHBondContact O-CG1 3.47Å; A398-I402 PolarHBondContact O-N 3.15Å; Y399-I402 PolarHBondContact O-N 3.18Å; I402-L404 PolarHBondContact O-N 3.18Å; I402-A405 WeakPolarHBondContact O-CB 3.3Å; I402-A405 PolarHBondContact O-N 3.41Å; I402-V406 HydrophobicContact CG2-CG2 4.43Å; I402-V406 WeakPolarHBondContact O-CG2 3.42Å; I402-V406 PolarHBondContact O-N 3.49Å |
| 403 | I | 95.6 | Very high | 93.5 | Very high | 94 Ų | 94 | 61 Ų | 61 | 48% | 0.482 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62 | -44.2 | 178.6 | -70.6 | 166.4 | 0 | 0 | 0 | 110.5 | Y399 L400 A405 V406 I407 | Y399-I403 VanDerWaalsContact O-CB 3.24Å; Y399-I403 WeakPolarHBondContact O-CB 3.49Å; Y399-I403 WeakPolarHBondContact O-CD1 3.37Å; Y399-I403 WeakPolarHBondContact O-CG1 3.36Å; Y399-I403 PolarHBondContact O-N 3.46Å; L400-I403 PolarHBondContact O-N 2.79Å; I403-A405 VanDerWaalsContact C-N 3.34Å; I403-A405 PolarHBondContact O-N 3.16Å; I403-V406 PolarHBondContact O-N 2.93Å; I403-I407 HydrophobicContact CG2-CD1 3.8Å; I403-I407 HydrophobicContact CG2-CG1 4.41Å; I403-I407 VanDerWaalsContact O-CG1 3.29Å; I403-I407 WeakPolarHBondContact O-CG1 3.35Å; I403-I407 PolarHBondContact O-N 3.38Å |
| 404 | L | 95.7 | Very high | 93.6 | Very high | 72 Ų | 72 | 60.5 Ų | 60.5 | 38% | 0.377 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 175.8 | -72.1 | 173.3 | 0 | 0 | 0 | 111.9 | L400 F401 I402 I407 S408 | L400-L404 HydrophobicContact CD1-CD1 4.05Å; L400-L404 HydrophobicContact CD1-CG 4.27Å; L400-L404 HydrophobicContact CG-CD1 4.05Å; L400-L404 WeakPolarHBondContact O-CB 3.2Å; L400-L404 VanDerWaalsContact O-CG 3.22Å; L400-L404 WeakPolarHBondContact O-CG 3.2Å; L400-L404 PolarHBondContact O-N 3.34Å; F401-L404 PolarHBondContact O-N 3.45Å; I402-L404 PolarHBondContact O-N 3.18Å; L404-I407 PolarHBondContact O-N 3.36Å; L404-S408 WeakPolarHBondContact O-CB 3.5Å; L404-S408 PolarHBondContact O-N 3.48Å; L404-S408 PolarHBondContact O-OG 3.35Å |
| 405 | A | 94.4 | Very high | 93.6 | Very high | 9 Ų | 9 | 63.6 Ų | 63.6 | 7% | 0.074 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | C368 L369 F401 I402 I403 S408 A409 | C368-A405 HydrophobicContact CB-CB 4.32Å; L369-A405 HydrophobicContact CD1-CB 4.4Å; L369-A405 HydrophobicContact CD2-CB 3.75Å; L369-A405 HydrophobicContact CG-CB 3.78Å; F401-A405 WeakPolarHBondContact O-CB 3.35Å; F401-A405 PolarHBondContact O-N 2.94Å; I402-A405 WeakPolarHBondContact O-CB 3.3Å; I402-A405 PolarHBondContact O-N 3.41Å; I403-A405 VanDerWaalsContact C-N 3.34Å; I403-A405 PolarHBondContact O-N 3.16Å; A405-S408 PolarHBondContact O-N 3.09Å; A405-S408 PolarHBondContact O-OG 2.81Å; A405-A409 WeakPolarHBondContact O-CB 3.42Å; A405-A409 PolarHBondContact O-N 3.23Å |
| 406 | V | 95.4 | Very high | 93.6 | Very high | 93 Ų | 93 | 63.8 Ų | 63.8 | 56% | 0.564 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -62.5 | -44.5 | 176.4 | 171.8 | 0 | 0 | 0 | 0 | 111.7 | I402 I403 S408 A409 A410 | I402-V406 HydrophobicContact CG2-CG2 4.43Å; I402-V406 WeakPolarHBondContact O-CG2 3.42Å; I402-V406 PolarHBondContact O-N 3.49Å; I403-V406 PolarHBondContact O-N 2.93Å; V406-S408 VanDerWaalsContact C-N 3.32Å; V406-S408 PolarHBondContact O-N 3.05Å; V406-A409 PolarHBondContact O-N 2.92Å; V406-A410 PolarHBondContact O-N 3.26Å |
| 407 | I | 95.8 | Very high | 93.5 | Very high | 94 Ų | 94 | 61.8 Ų | 61.8 | 48% | 0.482 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.1 | -45 | 175.5 | -69.2 | 167.4 | 0 | 0 | 0 | 110.1 | I403 L404 A409 A410 V411 | I403-I407 HydrophobicContact CG2-CD1 3.8Å; I403-I407 HydrophobicContact CG2-CG1 4.41Å; I403-I407 VanDerWaalsContact O-CG1 3.29Å; I403-I407 WeakPolarHBondContact O-CG1 3.35Å; I403-I407 PolarHBondContact O-N 3.38Å; L404-I407 PolarHBondContact O-N 3.36Å; I407-A409 VanDerWaalsContact C-N 3.32Å; I407-A409 PolarHBondContact O-N 2.76Å; I407-A410 PolarHBondContact O-N 2.69Å; I407-V411 HydrophobicContact CG2-CG2 4.48Å; I407-V411 WeakPolarHBondContact O-CG2 3.38Å; I407-V411 PolarHBondContact O-N 3.14Å |
| 408 | S | 94.6 | Very high | 93.3 | Very high | 16 Ų | 16 | 63.6 Ų | 63.6 | 11% | 0.112 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63 | -37.8 | 178.7 | 78.1 | 0 | 0 | 0 | 0 | 112.5 | A361 G365 L404 A405 V406 V411 Y412 | A361-S408 WeakPolarHBondContact O-CB 3.33Å; G365-S408 WeakPolarHBondContact CA-OG 3.4Å; L404-S408 WeakPolarHBondContact O-CB 3.5Å; L404-S408 PolarHBondContact O-N 3.48Å; L404-S408 PolarHBondContact O-OG 3.35Å; A405-S408 PolarHBondContact O-N 3.09Å; A405-S408 PolarHBondContact O-OG 2.81Å; V406-S408 VanDerWaalsContact C-N 3.32Å; V406-S408 PolarHBondContact O-N 3.05Å; S408-V411 PolarHBondContact O-N 3.35Å; S408-Y412 WeakPolarHBondContact O-CB 3.37Å; S408-Y412 PolarHBondContact O-N 3.14Å |
| 409 | A | 92.7 | Very high | 93.1 | Very high | 42 Ų | 42 | 64.2 Ų | 64.2 | 35% | 0.347 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.5 | -42.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A405 V406 I407 Y412 F413 | A405-A409 WeakPolarHBondContact O-CB 3.42Å; A405-A409 PolarHBondContact O-N 3.23Å; V406-A409 PolarHBondContact O-N 2.92Å; I407-A409 VanDerWaalsContact C-N 3.32Å; I407-A409 PolarHBondContact O-N 2.76Å; A409-Y412 WeakPolarHBondContact O-CB 3.33Å; A409-Y412 PolarHBondContact O-N 3.33Å; A409-F413 WeakPolarHBondContact O-CD2 3.5Å; A409-F413 PolarHBondContact O-N 2.96Å |
| 410 | A | 94.3 | Very high | 92.8 | Very high | 54 Ų | 54 | 61.4 Ų | 61.4 | 45% | 0.446 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V406 I407 Y412 F413 V414 | V406-A410 PolarHBondContact O-N 3.26Å; I407-A410 PolarHBondContact O-N 2.69Å; A410-Y412 VanDerWaalsContact C-N 3.33Å; A410-Y412 PolarHBondContact O-N 3.42Å; A410-F413 PolarHBondContact O-N 2.92Å; A410-V414 WeakPolarHBondContact O-CG2 3.35Å; A410-V414 PolarHBondContact O-N 3.35Å |
| 411 | V | 93.6 | Very high | 92.5 | Very high | 59 Ų | 59 | 63.1 Ų | 63.1 | 36% | 0.358 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 174.7 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | A361 I407 S408 F413 V414 F415 | A361-V411 HydrophobicContact CB-CG1 4.13Å; I407-V411 HydrophobicContact CG2-CG2 4.48Å; I407-V411 WeakPolarHBondContact O-CG2 3.38Å; I407-V411 PolarHBondContact O-N 3.14Å; S408-V411 PolarHBondContact O-N 3.35Å; V411-F413 PolarHBondContact O-N 2.78Å; V411-V414 PolarHBondContact O-N 2.03Å; V411-F415 HydrophobicContact CG1-CD2 3.68Å; V411-F415 HydrophobicContact CG1-CE2 3.25Å; V411-F415 HydrophobicContact CG1-CZ 3.92Å; V411-F415 WeakPolarHBondContact O-CD2 3.18Å; V411-F415 WeakPolarHBondContact O-CG 3.34Å; V411-F415 PolarHBondContact O-N 2.89Å |
| 412 | Y | 93.5 | Very high | 92.2 | Very high | 8 Ų | 8 | 66.3 Ų | 66.3 | 3% | 0.031 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -56.5 | -48.5 | 173.7 | 169.4 | -90.4 | 0 | 0 | 0 | 112 | L332 L336 V362 S408 A409 A410 V414 F415 L416 | L332-Y412 WeakPolarHBondContact CA-OH 3.04Å; L332-Y412 HydrophobicContact CB-CE2 3.87Å; L332-Y412 HydrophobicContact CD2-CE1 3.72Å; L332-Y412 HydrophobicContact CD2-CE2 4.39Å; L332-Y412 WeakPolarHBondContact CD2-OH 3.49Å; L332-Y412 PolarHBondContact O-OH 3.12Å; L332-Y412 VanDerWaalsContact O-OH 3.05Å; L336-Y412 HydrophobicContact CD1-CD2 3.68Å; L336-Y412 HydrophobicContact CD1-CE2 3.42Å; L336-Y412 VanDerWaalsContact CD1-CE2 3.42Å; L336-Y412 HydrophobicContact CD2-CD2 4.4Å; L336-Y412 HydrophobicContact CD2-CE2 4.04Å; L336-Y412 HydrophobicContact CG-CD2 4.16Å; L336-Y412 HydrophobicContact CG-CE2 3.52Å; V362-Y412 HydrophobicContact CG2-CD2 3.44Å; V362-Y412 VanDerWaalsContact CG2-CD2 3.44Å; V362-Y412 HydrophobicContact CG2-CE2 3.69Å; S408-Y412 WeakPolarHBondContact O-CB 3.37Å; S408-Y412 PolarHBondContact O-N 3.14Å; A409-Y412 WeakPolarHBondContact O-CB 3.33Å; A409-Y412 PolarHBondContact O-N 3.33Å; A410-Y412 VanDerWaalsContact C-N 3.33Å; A410-Y412 PolarHBondContact O-N 3.42Å; Y412-V414 PolarHBondContact O-N 2.79Å; Y412-F415 PolarHBondContact O-N 2.71Å; Y412-L416 HydrophobicContact CE1-CB 4.46Å; Y412-L416 HydrophobicContact CE1-CD2 3.94Å; Y412-L416 WeakPolarHBondContact O-CB 3.24Å; Y412-L416 PolarHBondContact O-N 2.85Å |
| 413 | F | 91.8 | Very high | 91.8 | Very high | 126 Ų | 126 | 63.7 Ų | 63.7 | 55% | 0.553 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -62.2 | -41.5 | 178.9 | -83.4 | -66.9 | 0 | 0 | 0 | 112.3 | A409 A410 V411 L416 C417 | A409-F413 WeakPolarHBondContact O-CD2 3.5Å; A409-F413 PolarHBondContact O-N 2.96Å; A410-F413 PolarHBondContact O-N 2.92Å; V411-F413 PolarHBondContact O-N 2.78Å; F413-L416 PolarHBondContact O-N 3.43Å; F413-C417 WeakPolarHBondContact O-CB 3.32Å; F413-C417 PolarHBondContact O-N 2.85Å; F413-C417 PolarHBondContact O-SG 2.86Å |
| 414 | V | 92 | Very high | 91.3 | Very high | 97 Ų | 97 | 63.5 Ų | 63.5 | 59% | 0.588 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -60.7 | -46.7 | 175.3 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | A410 V411 Y412 C417 F418 | A410-V414 WeakPolarHBondContact O-CG2 3.35Å; A410-V414 PolarHBondContact O-N 3.35Å; V411-V414 PolarHBondContact O-N 2.03Å; Y412-V414 PolarHBondContact O-N 2.79Å; V414-C417 PolarHBondContact O-N 3.04Å; V414-F418 WeakPolarHBondContact O-CB 3.47Å; V414-F418 PolarHBondContact O-N 3.46Å |
| 415 | F | 89.3 | Confident | 90.9 | Very high | 72 Ų | 72 | 62.5 Ų | 62.5 | 32% | 0.316 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 177.2 | -72 | -38.7 | 0 | 0 | 0 | 112.8 | V411 Y412 F418 L419 | V411-F415 HydrophobicContact CG1-CD2 3.68Å; V411-F415 HydrophobicContact CG1-CE2 3.25Å; V411-F415 HydrophobicContact CG1-CZ 3.92Å; V411-F415 WeakPolarHBondContact O-CD2 3.18Å; V411-F415 WeakPolarHBondContact O-CG 3.34Å; V411-F415 PolarHBondContact O-N 2.89Å; Y412-F415 PolarHBondContact O-N 2.71Å; F415-F418 PolarHBondContact O-N 3.28Å; F415-L419 WeakPolarHBondContact O-CB 3.08Å; F415-L419 VanDerWaalsContact O-CG 3.32Å; F415-L419 WeakPolarHBondContact O-CG 3.27Å; F415-L419 PolarHBondContact O-N 3.05Å |
| 416 | L | 90.4 | Very high | 90.4 | Very high | 22 Ų | 22 | 63.4 Ų | 63.4 | 12% | 0.115 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 177.9 | -175.2 | 65.8 | 0 | 0 | 0 | 110.7 | W335 L336 Y412 F413 F418 L419 L420 | W335-L416 HydrophobicContact CB-CD1 4.4Å; L336-L416 HydrophobicContact CD2-CB 4.24Å; L336-L416 HydrophobicContact CD2-CD1 4.09Å; Y412-L416 HydrophobicContact CE1-CB 4.46Å; Y412-L416 HydrophobicContact CE1-CD2 3.94Å; Y412-L416 WeakPolarHBondContact O-CB 3.24Å; Y412-L416 PolarHBondContact O-N 2.85Å; F413-L416 PolarHBondContact O-N 3.43Å; L416-F418 PolarHBondContact O-N 3.02Å; L416-L419 PolarHBondContact O-N 2.93Å; L416-L420 HydrophobicContact CD1-CG 4.49Å; L416-L420 HydrophobicContact CG-CD1 4.14Å; L416-L420 HydrophobicContact CG-CG 4.46Å; L416-L420 WeakPolarHBondContact O-CB 3.32Å; L416-L420 VanDerWaalsContact O-CG 3.23Å; L416-L420 WeakPolarHBondContact O-CG 3.47Å; L416-L420 PolarHBondContact O-N 2.96Å |
| 417 | C | 91.2 | Very high | 89.8 | Confident | 68 Ų | 68 | 59.8 Ų | 59.8 | 46% | 0.459 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.3 | -46.1 | 176.9 | -70.2 | 0 | 0 | 0 | 0 | 111.6 | F413 V414 L419 L420 L421 | F413-C417 WeakPolarHBondContact O-CB 3.32Å; F413-C417 PolarHBondContact O-N 2.85Å; F413-C417 PolarHBondContact O-SG 2.86Å; V414-C417 PolarHBondContact O-N 3.04Å; C417-L419 PolarHBondContact O-N 3.36Å; C417-L420 PolarHBondContact O-N 3.49Å; C417-L421 WeakPolarHBondContact O-CB 3.26Å; C417-L421 VanDerWaalsContact O-CG 3.29Å; C417-L421 WeakPolarHBondContact O-CG 3.39Å; C417-L421 PolarHBondContact O-N 3.29Å |
| 418 | F | 89.6 | Confident | 89.3 | Confident | 116 Ų | 116 | 63.3 Ų | 63.3 | 51% | 0.509 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.4 | -46.3 | 176.5 | 175.4 | -101.3 | 0 | 0 | 0 | 112.1 | V414 F415 L416 L421 R422 | V414-F418 WeakPolarHBondContact O-CB 3.47Å; V414-F418 PolarHBondContact O-N 3.46Å; F415-F418 PolarHBondContact O-N 3.28Å; L416-F418 PolarHBondContact O-N 3.02Å; F418-L421 PolarHBondContact O-N 3.28Å; F418-R422 VanDerWaalsContact CE1-CD 3.44Å; F418-R422 HydrophobicContact CE1-CG 4.18Å; F418-R422 HydrophobicContact CE2-CG 4.32Å; F418-R422 VanDerWaalsContact CZ-CD 3.47Å; F418-R422 HydrophobicContact CZ-CG 4.07Å; F418-R422 WeakPolarHBondContact O-CG 3.3Å; F418-R422 PolarHBondContact O-N 2.92Å |
| 419 | L | 87.1 | Confident | 88.8 | Confident | 13 Ų | 13 | 68.9 Ų | 68.9 | 7% | 0.068 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.1 | -46 | 176.4 | -75.4 | 169.5 | 0 | 0 | 0 | 111.4 | L336 A339 L343 F415 L416 C417 L421 R422 V423 | L336-L419 HydrophobicContact CD2-CD1 3.78Å; A339-L419 HydrophobicContact CB-CB 4.3Å; L343-L419 HydrophobicContact CD1-CD2 3.74Å; F415-L419 WeakPolarHBondContact O-CB 3.08Å; F415-L419 VanDerWaalsContact O-CG 3.32Å; F415-L419 WeakPolarHBondContact O-CG 3.27Å; F415-L419 PolarHBondContact O-N 3.05Å; L416-L419 PolarHBondContact O-N 2.93Å; C417-L419 PolarHBondContact O-N 3.36Å; L419-L421 PolarHBondContact O-N 3.38Å; L419-R422 PolarHBondContact O-N 2.74Å; L419-V423 VanDerWaalsContact O-CG2 3.31Å; L419-V423 WeakPolarHBondContact O-CG2 3.25Å; L419-V423 PolarHBondContact O-N 2.83Å |
| 420 | L | 88.3 | Confident | 88.1 | Confident | 53 Ų | 53 | 67.6 Ų | 67.6 | 28% | 0.277 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 177.9 | -70.9 | 176.4 | 0 | 0 | 0 | 111.9 | A339 L416 C417 R422 V423 M424 F452 M456 | A339-L420 HydrophobicContact CB-CD2 4.41Å; L416-L420 HydrophobicContact CD1-CG 4.49Å; L416-L420 HydrophobicContact CG-CD1 4.14Å; L416-L420 HydrophobicContact CG-CG 4.46Å; L416-L420 WeakPolarHBondContact O-CB 3.32Å; L416-L420 VanDerWaalsContact O-CG 3.23Å; L416-L420 WeakPolarHBondContact O-CG 3.47Å; L416-L420 PolarHBondContact O-N 2.96Å; C417-L420 PolarHBondContact O-N 3.49Å; L420-R422 PolarHBondContact O-N 3.2Å; L420-V423 PolarHBondContact O-N 3.11Å; L420-M424 WeakPolarHBondContact O-CB 3.06Å; L420-M424 WeakPolarHBondContact O-CG 3.05Å; L420-M424 PolarHBondContact O-N 3.25Å; L420-F452 HydrophobicContact CD2-CZ 4.08Å; L420-M456 HydrophobicContact CD2-CE 3.8Å |
| 421 | L | 89.4 | Confident | 87.5 | Confident | 124 Ų | 124 | 69.5 Ų | 69.5 | 65% | 0.649 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61.5 | -43.3 | 175.6 | -71.4 | 173.9 | 0 | 0 | 0 | 111.7 | C417 F418 L419 M424 A425 | C417-L421 WeakPolarHBondContact O-CB 3.26Å; C417-L421 VanDerWaalsContact O-CG 3.29Å; C417-L421 WeakPolarHBondContact O-CG 3.39Å; C417-L421 PolarHBondContact O-N 3.29Å; F418-L421 PolarHBondContact O-N 3.28Å; L419-L421 PolarHBondContact O-N 3.38Å; L421-M424 PolarHBondContact O-N 2.81Å; L421-A425 WeakPolarHBondContact O-CB 3.2Å; L421-A425 PolarHBondContact O-N 2.83Å |
| 422 | R | 88.4 | Confident | 87 | Confident | 106 Ų | 106 | 71.2 Ų | 71.2 | 40% | 0.4 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 174.7 | -76.9 | -166.3 | 69.6 | -170.5 | 1 | 111.8 | L343 D345 F418 L419 L420 M424 A425 T426 | L343-R422 HydrophobicContact CD2-CB 3.87Å; D345-R422 IonicContact OD2-NH2 3.88Å; F418-R422 VanDerWaalsContact CE1-CD 3.44Å; F418-R422 HydrophobicContact CE1-CG 4.18Å; F418-R422 HydrophobicContact CE2-CG 4.32Å; F418-R422 VanDerWaalsContact CZ-CD 3.47Å; F418-R422 HydrophobicContact CZ-CG 4.07Å; F418-R422 WeakPolarHBondContact O-CG 3.3Å; F418-R422 PolarHBondContact O-N 2.92Å; L419-R422 PolarHBondContact O-N 2.74Å; L420-R422 PolarHBondContact O-N 3.2Å; R422-M424 VanDerWaalsContact C-N 3.31Å; R422-M424 PolarHBondContact O-N 2.92Å; R422-A425 PolarHBondContact O-N 2.95Å; R422-T426 WeakPolarHBondContact O-CB 3.48Å; R422-T426 PolarHBondContact O-N 3.25Å; R422-T426 PolarHBondContact O-OG1 3.35Å |
| 423 | V | 85.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 178.1 | 180 | 0 | 0 | 0 | 0 | 110.5 | A339 H342 L343 L419 L420 A425 T426 I427 F452 | A339-V423 VanDerWaalsContact O-CG2 3.25Å; A339-V423 WeakPolarHBondContact O-CG2 3.5Å; H342-V423 HydrophobicContact CB-CG1 4.48Å; L343-V423 HydrophobicContact CD2-CB 4.24Å; L343-V423 HydrophobicContact CD2-CG2 3.47Å; L343-V423 VanDerWaalsContact CD2-CG2 3.47Å; L343-V423 HydrophobicContact CG-CG2 3.64Å; L419-V423 VanDerWaalsContact O-CG2 3.31Å; L419-V423 WeakPolarHBondContact O-CG2 3.25Å; L419-V423 PolarHBondContact O-N 2.83Å; L420-V423 PolarHBondContact O-N 3.11Å; V423-A425 PolarHBondContact O-N 2.9Å; V423-T426 PolarHBondContact O-N 2.72Å; V423-I427 HydrophobicContact CG1-CD1 3.67Å; V423-I427 HydrophobicContact CG1-CG1 4.14Å; V423-I427 WeakPolarHBondContact O-CB 3.28Å; V423-I427 VanDerWaalsContact O-CG1 3.23Å; V423-I427 WeakPolarHBondContact O-CG1 3.48Å; V423-I427 PolarHBondContact O-N 2.95Å; V423-F452 HydrophobicContact CB-CE1 4.05Å; V423-F452 HydrophobicContact CB-CE2 4.37Å; V423-F452 HydrophobicContact CB-CZ 3.7Å; V423-F452 HydrophobicContact CG1-CD1 3.87Å; V423-F452 HydrophobicContact CG1-CD2 4.25Å; V423-F452 HydrophobicContact CG1-CE1 3.27Å; V423-F452 HydrophobicContact CG1-CE2 3.77Å; V423-F452 HydrophobicContact CG1-CG 4.3Å; V423-F452 HydrophobicContact CG1-CZ 3.24Å; V423-F452 HydrophobicContact CG2-CE2 4.43Å; V423-F452 HydrophobicContact CG2-CZ 4.18Å |
| 424 | M | 85.6 | Confident | 85.8 | Confident | 89 Ų | 89 | 67.7 Ų | 67.7 | 44% | 0.438 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 177.4 | -70.5 | -66.7 | -78.1 | 0 | 0 | 112.3 | L420 L421 R422 I427 K428 F452 M456 | L420-M424 WeakPolarHBondContact O-CB 3.06Å; L420-M424 WeakPolarHBondContact O-CG 3.05Å; L420-M424 PolarHBondContact O-N 3.25Å; L421-M424 PolarHBondContact O-N 2.81Å; R422-M424 VanDerWaalsContact C-N 3.31Å; R422-M424 PolarHBondContact O-N 2.92Å; M424-I427 PolarHBondContact O-N 3.05Å; M424-K428 WeakPolarHBondContact O-CB 3.35Å; M424-K428 PolarHBondContact O-N 3.41Å; M424-F452 HydrophobicContact SD-CE1 4.47Å; M424-M456 HydrophobicContact SD-CE 4.33Å |
| 425 | A | 87.2 | Confident | 85 | Confident | 51 Ų | 51 | 69 Ų | 69 | 42% | 0.421 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.2 | -46.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | L421 R422 V423 K428 Q429 | L421-A425 WeakPolarHBondContact O-CB 3.2Å; L421-A425 PolarHBondContact O-N 2.83Å; R422-A425 PolarHBondContact O-N 2.95Å; V423-A425 PolarHBondContact O-N 2.9Å; A425-K428 WeakPolarHBondContact O-CB 3.46Å; A425-K428 PolarHBondContact O-N 3.21Å; A425-Q429 WeakPolarHBondContact O-CG 3.27Å; A425-Q429 PolarHBondContact O-N 3.23Å |
| 426 | T | 83.4 | Confident | 84.8 | Confident | 29 Ų | 29 | 72 Ų | 72 | 18% | 0.178 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.7 | -46.4 | 176.3 | -58.8 | 0 | 0 | 0 | 0 | 111.2 | I344 R422 V423 K428 Q429 T430 | I344-T426 HydrophobicContact CB-CG2 4.05Å; I344-T426 HydrophobicContact CD1-CG2 3.68Å; I344-T426 HydrophobicContact CG1-CG2 3.84Å; R422-T426 WeakPolarHBondContact O-CB 3.48Å; R422-T426 PolarHBondContact O-N 3.25Å; R422-T426 PolarHBondContact O-OG1 3.35Å; V423-T426 PolarHBondContact O-N 2.72Å; T426-K428 VanDerWaalsContact C-N 3.28Å; T426-K428 PolarHBondContact O-N 3.43Å; T426-Q429 PolarHBondContact O-N 2.68Å; T426-Q429 VanDerWaalsContact O-N 3.16Å; T426-T430 PolarHBondContact O-N 3.14Å; T426-T430 PolarHBondContact O-OG1 3.49Å |
| 427 | I | 82.9 | Confident | 84.3 | Confident | 17 Ų | 17 | 73.4 Ų | 73.4 | 9% | 0.087 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.8 | -39.9 | 176.2 | -70.8 | 172 | 0 | 0 | 0 | 110.9 | V423 M424 K431 I449 F452 | V423-I427 HydrophobicContact CG1-CD1 3.67Å; V423-I427 HydrophobicContact CG1-CG1 4.14Å; V423-I427 WeakPolarHBondContact O-CB 3.28Å; V423-I427 VanDerWaalsContact O-CG1 3.23Å; V423-I427 WeakPolarHBondContact O-CG1 3.48Å; V423-I427 PolarHBondContact O-N 2.95Å; M424-I427 PolarHBondContact O-N 3.05Å; I427-K431 HydrophobicContact CG2-CD 4.11Å; I427-K431 HydrophobicContact CG2-CG 4.34Å; I427-K431 VanDerWaalsContact O-CB 3.28Å; I427-K431 WeakPolarHBondContact O-CB 2.96Å; I427-K431 VanDerWaalsContact O-CG 3.22Å; I427-K431 WeakPolarHBondContact O-CG 3.15Å; I427-K431 PolarHBondContact O-N 3Å; I427-I449 HydrophobicContact CG1-CG1 4.35Å; I427-I449 HydrophobicContact CG2-CD1 4.3Å; I427-I449 HydrophobicContact CG2-CG1 4.29Å; I427-I449 HydrophobicContact CG2-CG2 3.89Å; I427-F452 HydrophobicContact CD1-CD1 3.38Å; I427-F452 HydrophobicContact CD1-CE1 3.73Å; I427-F452 HydrophobicContact CD1-CG 4.28Å |
| 428 | K | 85.8 | Confident | 84 | Confident | 167 Ų | 167 | 78.8 Ų | 78.8 | 73% | 0.726 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.1 | -44.4 | 176.5 | -173.7 | -178.6 | 178.2 | -176.4 | 0 | 111.2 | M424 A425 T426 S432 | M424-K428 WeakPolarHBondContact O-CB 3.35Å; M424-K428 PolarHBondContact O-N 3.41Å; A425-K428 WeakPolarHBondContact O-CB 3.46Å; A425-K428 PolarHBondContact O-N 3.21Å; T426-K428 VanDerWaalsContact C-N 3.28Å; T426-K428 PolarHBondContact O-N 3.43Å; K428-S432 PolarHBondContact O-N 2.92Å |
| 429 | Q | 83.4 | Confident | 83.5 | Confident | 134 Ų | 134 | 83.6 Ų | 83.6 | 63% | 0.626 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -65 | -51.3 | 176.4 | -70.3 | 174.4 | -14.4 | 0 | 0 | 111.7 | A425 T426 K431 S432 | A425-Q429 WeakPolarHBondContact O-CG 3.27Å; A425-Q429 PolarHBondContact O-N 3.23Å; T426-Q429 PolarHBondContact O-N 2.68Å; T426-Q429 VanDerWaalsContact O-N 3.16Å; Q429-K431 VanDerWaalsContact C-N 3.26Å; Q429-K431 PolarHBondContact O-N 2.79Å; Q429-S432 WeakPolarHBondContact O-CB 3.39Å; Q429-S432 PolarHBondContact O-N 3.04Å; Q429-S432 PolarHBondContact O-OG 3.07Å |
| 430 | T | 78.3 | Confident | 82.8 | Confident | 15 Ų | 15 | 85.6 Ų | 85.6 | 9% | 0.092 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -59.3 | -38.8 | 179.5 | -51.4 | 0 | 0 | 0 | 0 | 111.7 | I344 T426 S432 S433 L434 M437 F445 | I344-T430 HydrophobicContact CD1-CG2 4.1Å; I344-T430 WeakPolarHBondContact CD1-OG1 3.44Å; T426-T430 PolarHBondContact O-N 3.14Å; T426-T430 PolarHBondContact O-OG1 3.49Å; T430-S432 VanDerWaalsContact C-N 3.27Å; T430-S432 PolarHBondContact O-N 2.94Å; T430-S433 PolarHBondContact O-N 3.25Å; T430-S433 PolarHBondContact O-OG 2.72Å; T430-L434 PolarHBondContact O-N 2.81Å; T430-L434 VanDerWaalsContact O-N 3.13Å; T430-M437 HydrophobicContact CG2-CE 4.39Å; T430-F445 HydrophobicContact CG2-CD1 4.34Å |
| 431 | K | 81.9 | Confident | 82.1 | Confident | 93 Ų | 93 | 87.5 Ų | 87.5 | 40% | 0.404 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.1 | -35.7 | 176.1 | -82.2 | -177.3 | 173.7 | -156.3 | 0 | 113.7 | I427 Q429 S433 L434 I449 | I427-K431 HydrophobicContact CG2-CD 4.11Å; I427-K431 HydrophobicContact CG2-CG 4.34Å; I427-K431 VanDerWaalsContact O-CB 3.28Å; I427-K431 WeakPolarHBondContact O-CB 2.96Å; I427-K431 VanDerWaalsContact O-CG 3.22Å; I427-K431 WeakPolarHBondContact O-CG 3.15Å; I427-K431 PolarHBondContact O-N 3Å; Q429-K431 VanDerWaalsContact C-N 3.26Å; Q429-K431 PolarHBondContact O-N 2.79Å; K431-S433 PolarHBondContact O-N 3.24Å; K431-L434 HydrophobicContact CB-CD1 4.24Å; K431-L434 HydrophobicContact CG-CD1 3.86Å; K431-L434 PolarHBondContact O-N 2.74Å; K431-I449 HydrophobicContact CG-CD1 4.2Å |
| 432 | S | 82.5 | Confident | 81.6 | Confident | 95 Ų | 95 | 86 Ų | 86 | 66% | 0.664 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -64.5 | -30.8 | 176 | 74.6 | 0 | 0 | 0 | 0 | 112.4 | K428 Q429 T430 | K428-S432 PolarHBondContact O-N 2.92Å; Q429-S432 WeakPolarHBondContact O-CB 3.39Å; Q429-S432 PolarHBondContact O-N 3.04Å; Q429-S432 PolarHBondContact O-OG 3.07Å; T430-S432 VanDerWaalsContact C-N 3.27Å; T430-S432 PolarHBondContact O-N 2.94Å |
| 433 | S | 81 | Confident | 81 | Confident | 45 Ų | 45 | 84 Ų | 84 | 32% | 0.315 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -89.8 | -10.8 | -180 | 65.7 | 0 | 0 | 0 | 0 | 115.2 | T430 K431 N435 V436 M437 | T430-S433 PolarHBondContact O-N 3.25Å; T430-S433 PolarHBondContact O-OG 2.72Å; K431-S433 PolarHBondContact O-N 3.24Å; S433-N435 PolarHBondContact O-N 3.4Å; S433-N435 VanDerWaalsContact O-N 3.15Å; S433-V436 PolarHBondContact O-N 3.06Å; S433-V436 VanDerWaalsContact O-N 3.1Å; S433-M437 WeakPolarHBondContact OG-CE 3.41Å |
| 434 | L | 78.2 | Confident | 80.4 | Confident | 15 Ų | 15 | 86.3 Ų | 86.3 | 8% | 0.079 | 45% | 0.446 | C | S | . | . | G | 310 helix | trans | -57.3 | -33.6 | -173.9 | -82.8 | 168.9 | 0 | 0 | 0 | 113.5 | T430 K431 V436 M437 R442 F445 E446 I449 | T430-L434 PolarHBondContact O-N 2.81Å; T430-L434 VanDerWaalsContact O-N 3.13Å; K431-L434 HydrophobicContact CB-CD1 4.24Å; K431-L434 HydrophobicContact CG-CD1 3.86Å; K431-L434 PolarHBondContact O-N 2.74Å; L434-V436 VanDerWaalsContact C-N 3.26Å; L434-V436 PolarHBondContact O-N 2.96Å; L434-M437 HydrophobicContact CD2-SD 4.39Å; L434-M437 PolarHBondContact O-N 3.48Å; L434-R442 HydrophobicContact CD2-CG 4.14Å; L434-F445 HydrophobicContact CD2-CB 3.96Å; L434-E446 HydrophobicContact CD1-CG 4.32Å; L434-E446 HydrophobicContact CD2-CG 4.23Å; L434-I449 HydrophobicContact CD1-CD1 4.45Å |
| 435 | N | 76.9 | Confident | 80 | Confident | 125 Ų | 125 | 83.3 Ų | 83.3 | 67% | 0.668 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -71 | -21.1 | -177.1 | -70 | -26.2 | 0 | 0 | 0 | 113.3 | S433 | S433-N435 PolarHBondContact O-N 3.4Å; S433-N435 VanDerWaalsContact O-N 3.15Å |
| 436 | V | 84 | Confident | 79.6 | Confident | 136 Ų | 136 | 84.5 Ų | 84.5 | 82% | 0.824 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -91.2 | -12.9 | -179.6 | -172.6 | 0 | 0 | 0 | 0 | 111.4 | S433 L434 | S433-V436 PolarHBondContact O-N 3.06Å; S433-V436 VanDerWaalsContact O-N 3.1Å; L434-V436 VanDerWaalsContact C-N 3.26Å; L434-V436 PolarHBondContact O-N 2.96Å |
| 437 | M | 80.2 | Confident | 79.1 | Confident | 50 Ų | 50 | 83.9 Ų | 83.9 | 25% | 0.246 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -78.9 | 146.4 | -176.1 | -64.6 | -175.8 | -178.3 | 0 | 0 | 113.1 | T430 S433 L434 R442 F445 | T430-M437 HydrophobicContact CG2-CE 4.39Å; S433-M437 WeakPolarHBondContact OG-CE 3.41Å; L434-M437 HydrophobicContact CD2-SD 4.39Å; L434-M437 PolarHBondContact O-N 3.48Å; M437-R442 HydrophobicContact CB-CB 4.33Å; M437-F445 HydrophobicContact CE-CD2 4.28Å; M437-F445 HydrophobicContact CE-CE2 4.13Å; M437-F445 HydrophobicContact SD-CD2 3.6Å; M437-F445 VanDerWaalsContact SD-CD2 3.6Å; M437-F445 HydrophobicContact SD-CE2 3.86Å |
| 438 | K | 84.1 | Confident | 78.7 | Confident | 182 Ų | 182 | 85.9 Ų | 85.9 | 79% | 0.791 | 44% | 0.436 | S | S | * | . | trans | -54.2 | 140.3 | 168.9 | -67.7 | -177.4 | -179.8 | 177.3 | 0 | 110.5 | G440 R441 R442 | K438-G440 VanDerWaalsContact C-N 3.33Å; K438-G440 PolarHBondContact O-N 3.13Å; K438-G440 VanDerWaalsContact O-N 3.16Å; K438-R441 PolarHBondContact O-N 3.11Å; K438-R442 PolarHBondContact O-N 3.04Å | ||
| 439 | R | 79.8 | Confident | 78.4 | Confident | 216 Ų | 216 | 78.8 Ų | 78.8 | 82% | 0.815 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -49 | -46.2 | -173.5 | -173.4 | 177.1 | -179.2 | 172.3 | 0.6 | 114.1 | R441 R442 V443 | R439-R441 PolarHBondContact O-N 3.49Å; R439-R442 PolarHBondContact O-N 2.92Å; R439-V443 WeakPolarHBondContact O-CG2 3.4Å; R439-V443 PolarHBondContact O-N 2.84Å; R439-V443 VanDerWaalsContact O-N 3.07Å |
| 440 | G | 73.2 | Confident | 78.2 | Confident | 56 Ų | 56 | 76.8 Ų | 76.8 | 58% | 0.577 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -62 | -42.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | K438 C444 | K438-G440 VanDerWaalsContact C-N 3.33Å; K438-G440 PolarHBondContact O-N 3.13Å; K438-G440 VanDerWaalsContact O-N 3.16Å; G440-C444 PolarHBondContact O-N 3.04Å |
| 441 | R | 73.3 | Confident | 78.2 | Confident | 93 Ų | 93 | 77.3 Ų | 77.3 | 35% | 0.351 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -70.3 | -38.4 | 177.9 | -169.6 | 172.2 | -173.9 | 171.4 | -4.3 | 112 | K438 R439 C444 F445 | K438-R441 PolarHBondContact O-N 3.11Å; R439-R441 PolarHBondContact O-N 3.49Å; R441-C444 PolarHBondContact O-N 3.42Å; R441-F445 HydrophobicContact CG-CD2 3.83Å; R441-F445 HydrophobicContact CG-CE2 3.71Å; R441-F445 WeakPolarHBondContact O-CD2 2.99Å; R441-F445 PolarHBondContact O-N 3.37Å |
| 442 | R | 78.2 | Confident | 78.2 | Confident | 92 Ų | 92 | 73 Ų | 73 | 35% | 0.347 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.2 | -49.2 | 175.2 | -179 | -178.6 | 168 | 168.4 | 1.7 | 111.7 | L434 M437 K438 R439 C444 F445 E446 | L434-R442 HydrophobicContact CD2-CG 4.14Å; M437-R442 HydrophobicContact CB-CB 4.33Å; K438-R442 PolarHBondContact O-N 3.04Å; R439-R442 PolarHBondContact O-N 2.92Å; R442-C444 VanDerWaalsContact C-N 3.31Å; R442-C444 PolarHBondContact O-N 3.46Å; R442-F445 PolarHBondContact O-N 3.13Å; R442-E446 HydrophobicContact CG-CG 4.38Å; R442-E446 IonicContact CZ-OE1 3.46Å; R442-E446 IonicContact NE-OE1 2.79Å; R442-E446 PolarHBondContact NE-OE1 2.9Å; R442-E446 IonicContact NH2-OE1 3.21Å; R442-E446 PolarHBondContact NH2-OE1 2.77Å; R442-E446 WeakPolarHBondContact O-CB 3.49Å; R442-E446 WeakPolarHBondContact O-CG 3.27Å; R442-E446 PolarHBondContact O-N 3.3Å |
| 443 | V | 76.1 | Confident | 78.4 | Confident | 63 Ų | 63 | 72.6 Ų | 72.6 | 38% | 0.382 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 179.1 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | R439 E446 A447 | R439-V443 WeakPolarHBondContact O-CG2 3.4Å; R439-V443 PolarHBondContact O-N 2.84Å; R439-V443 VanDerWaalsContact O-N 3.07Å; V443-E446 PolarHBondContact O-N 3.25Å; V443-A447 WeakPolarHBondContact O-CB 3.39Å; V443-A447 PolarHBondContact O-N 3.28Å |
| 444 | C | 72.1 | Confident | 78.5 | Confident | 50 Ų | 50 | 71.8 Ų | 71.8 | 34% | 0.338 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.7 | -48.1 | 176.4 | -176 | 0 | 0 | 0 | 0 | 112.1 | G440 R441 R442 A447 I448 | G440-C444 PolarHBondContact O-N 3.04Å; R441-C444 PolarHBondContact O-N 3.42Å; R442-C444 VanDerWaalsContact C-N 3.31Å; R442-C444 PolarHBondContact O-N 3.46Å; C444-A447 PolarHBondContact O-N 3Å; C444-I448 WeakPolarHBondContact O-CG1 3.28Å; C444-I448 PolarHBondContact O-N 3.06Å |
| 445 | F | 76.7 | Confident | 78.8 | Confident | 26 Ų | 26 | 71.2 Ų | 71.2 | 11% | 0.114 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.3 | -42 | 177.2 | -84.3 | -63.9 | 0 | 0 | 0 | 113.2 | I344 T430 L434 M437 R441 R442 A447 I448 I449 | I344-F445 HydrophobicContact CD1-CE1 4.19Å; T430-F445 HydrophobicContact CG2-CD1 4.34Å; L434-F445 HydrophobicContact CD2-CB 3.96Å; M437-F445 HydrophobicContact CE-CD2 4.28Å; M437-F445 HydrophobicContact CE-CE2 4.13Å; M437-F445 HydrophobicContact SD-CD2 3.6Å; M437-F445 VanDerWaalsContact SD-CD2 3.6Å; M437-F445 HydrophobicContact SD-CE2 3.86Å; R441-F445 HydrophobicContact CG-CD2 3.83Å; R441-F445 HydrophobicContact CG-CE2 3.71Å; R441-F445 WeakPolarHBondContact O-CD2 2.99Å; R441-F445 PolarHBondContact O-N 3.37Å; R442-F445 PolarHBondContact O-N 3.13Å; F445-A447 PolarHBondContact O-N 3.46Å; F445-I448 PolarHBondContact O-N 3.11Å; F445-I449 WeakPolarHBondContact O-CG1 3.37Å; F445-I449 PolarHBondContact O-N 2.86Å |
| 446 | E | 79.7 | Confident | 79.3 | Confident | 75 Ų | 75 | 68 Ų | 68 | 35% | 0.35 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.8 | -40.7 | 174.9 | -76.8 | 177.8 | 178 | 0 | 0 | 110.9 | L434 R442 V443 I449 Y450 | L434-E446 HydrophobicContact CD1-CG 4.32Å; L434-E446 HydrophobicContact CD2-CG 4.23Å; R442-E446 HydrophobicContact CG-CG 4.38Å; R442-E446 IonicContact CZ-OE1 3.46Å; R442-E446 IonicContact NE-OE1 2.79Å; R442-E446 PolarHBondContact NE-OE1 2.9Å; R442-E446 IonicContact NH2-OE1 3.21Å; R442-E446 PolarHBondContact NH2-OE1 2.77Å; R442-E446 WeakPolarHBondContact O-CB 3.49Å; R442-E446 WeakPolarHBondContact O-CG 3.27Å; R442-E446 PolarHBondContact O-N 3.3Å; V443-E446 PolarHBondContact O-N 3.25Å; E446-I449 PolarHBondContact O-N 3.44Å; E446-Y450 VanDerWaalsContact O-CB 3.28Å; E446-Y450 WeakPolarHBondContact O-CB 3.46Å; E446-Y450 PolarHBondContact O-N 3.05Å |
| 447 | A | 72.2 | Confident | 79.5 | Confident | 17 Ų | 17 | 65.7 Ų | 65.7 | 14% | 0.14 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.3 | -39.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | E15 V443 C444 F445 Y450 R451 | E15-A447 HydrophobicContact CG-CB 3.41Å; E15-A447 VanDerWaalsContact CG-CB 3.41Å; V443-A447 WeakPolarHBondContact O-CB 3.39Å; V443-A447 PolarHBondContact O-N 3.28Å; C444-A447 PolarHBondContact O-N 3Å; F445-A447 PolarHBondContact O-N 3.46Å; A447-Y450 PolarHBondContact O-N 2.89Å; A447-R451 WeakPolarHBondContact O-CG 3.31Å; A447-R451 PolarHBondContact O-N 2.58Å |
| 448 | I | 75.1 | Confident | 79.9 | Confident | 59 Ų | 59 | 65.1 Ų | 65.1 | 30% | 0.303 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.8 | -47.2 | 174.7 | -68 | 166.1 | 0 | 0 | 0 | 110.5 | C444 F445 Y450 R451 F452 | C444-I448 WeakPolarHBondContact O-CG1 3.28Å; C444-I448 PolarHBondContact O-N 3.06Å; F445-I448 PolarHBondContact O-N 3.11Å; I448-Y450 VanDerWaalsContact C-N 3.28Å; I448-Y450 PolarHBondContact O-N 3.2Å; I448-R451 PolarHBondContact O-N 2.89Å; I448-F452 PolarHBondContact O-N 3.38Å |
| 449 | I | 80 | Confident | 80.2 | Confident | 17 Ų | 17 | 57.4 Ų | 57.4 | 9% | 0.087 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.3 | -41.3 | 177.4 | -67.6 | 168.3 | 0 | 0 | 0 | 110.5 | I427 K431 L434 F445 E446 F452 K453 | I427-I449 HydrophobicContact CG1-CG1 4.35Å; I427-I449 HydrophobicContact CG2-CD1 4.3Å; I427-I449 HydrophobicContact CG2-CG1 4.29Å; I427-I449 HydrophobicContact CG2-CG2 3.89Å; K431-I449 HydrophobicContact CG-CD1 4.2Å; L434-I449 HydrophobicContact CD1-CD1 4.45Å; F445-I449 WeakPolarHBondContact O-CG1 3.37Å; F445-I449 PolarHBondContact O-N 2.86Å; E446-I449 PolarHBondContact O-N 3.44Å; I449-F452 PolarHBondContact O-N 2.97Å; I449-K453 HydrophobicContact CG2-CD 4.14Å; I449-K453 WeakPolarHBondContact O-CB 3.32Å; I449-K453 WeakPolarHBondContact O-CG 3.11Å; I449-K453 PolarHBondContact O-N 3.09Å |
| 450 | Y | 78.6 | Confident | 80.7 | Confident | 92 Ų | 92 | 55 Ų | 55 | 36% | 0.361 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.9 | -48 | 177.5 | -177.7 | -97.9 | 0 | 0 | 0 | 111.9 | V14 M22 E446 A447 I448 F452 K453 F454 | V14-Y450 HydrophobicContact CG1-CD1 4.19Å; V14-Y450 HydrophobicContact CG1-CE1 4.31Å; M22-Y450 WeakPolarHBondContact CE-OH 3.45Å; M22-Y450 HydrophobicContact SD-CE1 3.87Å; M22-Y450 PolarHBondContact SD-OH 2.84Å; E446-Y450 VanDerWaalsContact O-CB 3.28Å; E446-Y450 WeakPolarHBondContact O-CB 3.46Å; E446-Y450 PolarHBondContact O-N 3.05Å; A447-Y450 PolarHBondContact O-N 2.89Å; I448-Y450 VanDerWaalsContact C-N 3.28Å; I448-Y450 PolarHBondContact O-N 3.2Å; Y450-F452 PolarHBondContact O-N 3.36Å; Y450-K453 PolarHBondContact O-N 2.96Å; Y450-F454 VanDerWaalsContact O-CB 3.28Å; Y450-F454 WeakPolarHBondContact O-CB 3.34Å; Y450-F454 PolarHBondContact O-N 2.76Å |
| 451 | R | 78.4 | Confident | 81.6 | Confident | 26 Ų | 26 | 56.5 Ų | 56.5 | 10% | 0.098 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.5 | -49 | 176.1 | -79.8 | -176.8 | -178.2 | 136.6 | 15.6 | 112.6 | S12 V14 E15 A447 I448 K453 F454 L455 | S12-R451 VanDerWaalsContact CB-CZ 3.5Å; S12-R451 PolarHBondContact OG-NE 2.82Å; S12-R451 PolarHBondContact OG-NH2 2.69Å; V14-R451 HydrophobicContact CB-CG 4.23Å; V14-R451 HydrophobicContact CG1-CG 3.7Å; E15-R451 IonicContact OE1-CZ 3.07Å; E15-R451 IonicContact OE1-NH1 2.74Å; E15-R451 PolarHBondContact OE1-NH1 2.78Å; E15-R451 IonicContact OE1-NH2 2.65Å; E15-R451 PolarHBondContact OE1-NH2 3.14Å; A447-R451 WeakPolarHBondContact O-CG 3.31Å; A447-R451 PolarHBondContact O-N 2.58Å; I448-R451 PolarHBondContact O-N 2.89Å; R451-K453 PolarHBondContact O-N 2.68Å; R451-F454 PolarHBondContact O-N 2.82Å; R451-L455 PolarHBondContact O-N 2.78Å |
| 452 | F | 82.7 | Confident | 82.4 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.009 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.6 | -48.4 | -179.9 | 179.9 | -103.3 | 0 | 0 | 0 | 111.5 | F338 H342 L420 V423 M424 I427 I448 I449 Y450 L455 M456 | F338-F452 HydrophobicContact CD1-CD2 4.27Å; F338-F452 HydrophobicContact CD1-CE2 4.4Å; F338-F452 AromaticContact CE1-CD2 3.53Å; F338-F452 HydrophobicContact CE1-CD2 3.53Å; F338-F452 HydrophobicContact CE1-CE2 4.03Å; F338-F452 HydrophobicContact CE1-CG 4.49Å; F338-F452 HydrophobicContact CZ-CD2 4.19Å; H342-F452 HydrophobicContact CB-CD2 3.79Å; H342-F452 HydrophobicContact CB-CE2 4.28Å; H342-F452 HydrophobicContact CB-CG 4.41Å; H342-F452 AromaticContact CG-CD2 3.74Å; L420-F452 HydrophobicContact CD2-CZ 4.08Å; V423-F452 HydrophobicContact CB-CE1 4.05Å; V423-F452 HydrophobicContact CB-CE2 4.37Å; V423-F452 HydrophobicContact CB-CZ 3.7Å; V423-F452 HydrophobicContact CG1-CD1 3.87Å; V423-F452 HydrophobicContact CG1-CD2 4.25Å; V423-F452 HydrophobicContact CG1-CE1 3.27Å; V423-F452 HydrophobicContact CG1-CE2 3.77Å; V423-F452 HydrophobicContact CG1-CG 4.3Å; V423-F452 HydrophobicContact CG1-CZ 3.24Å; V423-F452 HydrophobicContact CG2-CE2 4.43Å; V423-F452 HydrophobicContact CG2-CZ 4.18Å; M424-F452 HydrophobicContact SD-CE1 4.47Å; I427-F452 HydrophobicContact CD1-CD1 3.38Å; I427-F452 HydrophobicContact CD1-CE1 3.73Å; I427-F452 HydrophobicContact CD1-CG 4.28Å; I448-F452 PolarHBondContact O-N 3.38Å; I449-F452 PolarHBondContact O-N 2.97Å; Y450-F452 PolarHBondContact O-N 3.36Å; F452-L455 PolarHBondContact O-N 3.18Å; F452-M456 HydrophobicContact CD1-CE 3.92Å; F452-M456 HydrophobicContact CE1-CE 3.04Å; F452-M456 HydrophobicContact CE2-CE 4.12Å; F452-M456 HydrophobicContact CZ-CE 3.14Å; F452-M456 VanDerWaalsContact O-CB 3.29Å; F452-M456 WeakPolarHBondContact O-CB 3.44Å; F452-M456 PolarHBondContact O-N 3.07Å |
| 453 | K | 85.2 | Confident | 83 | Confident | 87 Ų | 87 | 49.7 Ų | 49.7 | 38% | 0.378 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 177.8 | -77.3 | -176.9 | 166.3 | -126.3 | 0 | 112.5 | I449 Y450 R451 M456 V457 | I449-K453 HydrophobicContact CG2-CD 4.14Å; I449-K453 WeakPolarHBondContact O-CB 3.32Å; I449-K453 WeakPolarHBondContact O-CG 3.11Å; I449-K453 PolarHBondContact O-N 3.09Å; Y450-K453 PolarHBondContact O-N 2.96Å; R451-K453 PolarHBondContact O-N 2.68Å; K453-M456 PolarHBondContact O-N 2.91Å; K453-V457 WeakPolarHBondContact O-CG2 3.28Å; K453-V457 PolarHBondContact O-N 2.87Å |
| 454 | F | 83.3 | Confident | 83.7 | Confident | 29 Ų | 29 | 48.3 Ų | 48.3 | 13% | 0.127 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.4 | -52.8 | 178.5 | 170.4 | -96 | 0 | 0 | 0 | 110.9 | F26 Y450 R451 M456 V457 F458 M515 | F26-F454 HydrophobicContact CD1-CE2 4.33Å; F26-F454 HydrophobicContact CD1-CZ 4.27Å; F26-F454 HydrophobicContact CE1-CE1 4.21Å; F26-F454 AromaticContact CE1-CE2 3.36Å; F26-F454 HydrophobicContact CE1-CE2 3.36Å; F26-F454 AromaticContact CE1-CZ 3.16Å; F26-F454 HydrophobicContact CE1-CZ 3.16Å; F26-F454 HydrophobicContact CE2-CD2 4.16Å; F26-F454 AromaticContact CE2-CE2 3.56Å; F26-F454 HydrophobicContact CE2-CE2 3.56Å; F26-F454 HydrophobicContact CE2-CZ 4.22Å; F26-F454 AromaticContact CZ-CD2 3.71Å; F26-F454 HydrophobicContact CZ-CD2 3.71Å; F26-F454 HydrophobicContact CZ-CE1 4.11Å; F26-F454 AromaticContact CZ-CE2 2.9Å; F26-F454 HydrophobicContact CZ-CE2 2.9Å; F26-F454 AromaticContact CZ-CZ 3.16Å; F26-F454 HydrophobicContact CZ-CZ 3.16Å; Y450-F454 VanDerWaalsContact O-CB 3.28Å; Y450-F454 WeakPolarHBondContact O-CB 3.34Å; Y450-F454 PolarHBondContact O-N 2.76Å; R451-F454 PolarHBondContact O-N 2.82Å; F454-M456 VanDerWaalsContact C-N 3.31Å; F454-M456 PolarHBondContact O-N 3.26Å; F454-V457 PolarHBondContact O-N 3.17Å; F454-F458 HydrophobicContact CE1-CB 4.36Å; F454-F458 HydrophobicContact CE1-CD1 4.38Å; F454-F458 HydrophobicContact CE2-CB 4.48Å; F454-F458 HydrophobicContact CZ-CB 4.06Å; F454-F458 HydrophobicContact CZ-CD1 4.28Å; F454-F458 HydrophobicContact CZ-CG 4.21Å; F454-F458 WeakPolarHBondContact O-CB 3.26Å; F454-F458 PolarHBondContact O-N 3.25Å; F454-M515 HydrophobicContact CD1-CE 3.36Å; F454-M515 HydrophobicContact CD1-SD 4Å; F454-M515 HydrophobicContact CE1-CE 3.32Å; F454-M515 HydrophobicContact CE1-SD 3.35Å; F454-M515 WeakPolarHBondContact CE1-SD 3.35Å; F454-M515 HydrophobicContact CG-CE 4.09Å; F454-M515 HydrophobicContact CZ-CE 4.04Å; F454-M515 HydrophobicContact CZ-SD 3.99Å |
| 455 | L | 85.3 | Confident | 84.5 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.2 | -38 | -177.9 | -174.9 | 59.5 | 0 | 0 | 0 | 111.7 | F334 F338 R451 F452 F458 T459 Y508 L512 Y516 | F334-L455 HydrophobicContact CE1-CD2 4.09Å; F334-L455 HydrophobicContact CZ-CD2 3.82Å; F338-L455 HydrophobicContact CD1-CD2 3.85Å; F338-L455 HydrophobicContact CD2-CD2 3.69Å; F338-L455 HydrophobicContact CE1-CB 4.08Å; F338-L455 HydrophobicContact CE1-CD2 3.57Å; F338-L455 HydrophobicContact CE1-CG 4.2Å; F338-L455 HydrophobicContact CE2-CD2 3.39Å; F338-L455 HydrophobicContact CG-CD2 3.92Å; F338-L455 HydrophobicContact CZ-CB 3.83Å; F338-L455 HydrophobicContact CZ-CD2 3.34Å; F338-L455 HydrophobicContact CZ-CG 4.12Å; R451-L455 PolarHBondContact O-N 2.78Å; F452-L455 PolarHBondContact O-N 3.18Å; L455-F458 HydrophobicContact CD1-CD1 4.45Å; L455-F458 PolarHBondContact O-N 3.04Å; L455-T459 VanDerWaalsContact O-CB 3.23Å; L455-T459 WeakPolarHBondContact O-CB 3.37Å; L455-T459 PolarHBondContact O-N 3.01Å; L455-T459 PolarHBondContact O-OG1 2.76Å; L455-Y508 HydrophobicContact CD1-CE2 4.12Å; L455-L512 HydrophobicContact CD1-CD2 3.41Å; L455-L512 VanDerWaalsContact CD1-CD2 3.41Å; L455-L512 HydrophobicContact CD1-CG 4.21Å; L455-L512 HydrophobicContact CD2-CD2 3.78Å; L455-L512 HydrophobicContact CG-CD2 4.24Å; L455-Y516 HydrophobicContact CD2-CE2 4.46Å |
| 456 | M | 86.4 | Confident | 85.2 | Confident | 57 Ų | 57 | 50.2 Ų | 50.2 | 28% | 0.281 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.4 | -50.1 | 175.9 | -178.1 | -173.3 | -59.5 | 0 | 0 | 111.6 | L420 M424 F452 K453 F454 T459 F460 | L420-M456 HydrophobicContact CD2-CE 3.8Å; M424-M456 HydrophobicContact SD-CE 4.33Å; F452-M456 HydrophobicContact CD1-CE 3.92Å; F452-M456 HydrophobicContact CE1-CE 3.04Å; F452-M456 HydrophobicContact CE2-CE 4.12Å; F452-M456 HydrophobicContact CZ-CE 3.14Å; F452-M456 VanDerWaalsContact O-CB 3.29Å; F452-M456 WeakPolarHBondContact O-CB 3.44Å; F452-M456 PolarHBondContact O-N 3.07Å; K453-M456 PolarHBondContact O-N 2.91Å; F454-M456 VanDerWaalsContact C-N 3.31Å; F454-M456 PolarHBondContact O-N 3.26Å; M456-T459 PolarHBondContact O-N 2.88Å; M456-F460 WeakPolarHBondContact O-CB 3.35Å; M456-F460 PolarHBondContact O-N 2.79Å |
| 457 | V | 88.1 | Confident | 85.6 | Confident | 89 Ų | 89 | 50.7 Ų | 50.7 | 54% | 0.539 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63 | -45 | 179.4 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | K453 F454 T459 F460 I461 | K453-V457 WeakPolarHBondContact O-CG2 3.28Å; K453-V457 PolarHBondContact O-N 2.87Å; F454-V457 PolarHBondContact O-N 3.17Å; V457-T459 PolarHBondContact O-N 3.06Å; V457-F460 PolarHBondContact O-N 3.47Å; V457-I461 HydrophobicContact CG1-CD1 3.9Å; V457-I461 WeakPolarHBondContact O-CG1 3.35Å; V457-I461 PolarHBondContact O-N 3.13Å |
| 458 | F | 88.6 | Confident | 86.3 | Confident | 38 Ų | 38 | 53.1 Ų | 53.1 | 17% | 0.167 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 179.2 | -175.9 | -139.2 | 0 | 0 | 0 | 111.8 | F454 L455 F460 I461 C462 Y508 C511 | F454-F458 HydrophobicContact CE1-CB 4.36Å; F454-F458 HydrophobicContact CE1-CD1 4.38Å; F454-F458 HydrophobicContact CE2-CB 4.48Å; F454-F458 HydrophobicContact CZ-CB 4.06Å; F454-F458 HydrophobicContact CZ-CD1 4.28Å; F454-F458 HydrophobicContact CZ-CG 4.21Å; F454-F458 WeakPolarHBondContact O-CB 3.26Å; F454-F458 PolarHBondContact O-N 3.25Å; L455-F458 HydrophobicContact CD1-CD1 4.45Å; L455-F458 PolarHBondContact O-N 3.04Å; F458-F460 PolarHBondContact O-N 2.82Å; F458-I461 PolarHBondContact O-N 3.18Å; F458-C462 PolarHBondContact O-N 3.3Å; F458-C462 PolarHBondContact O-SG 3.18Å; F458-C462 VanDerWaalsContact O-SG 3.36Å; F458-Y508 AromaticContact CD1-CD2 3.62Å; F458-Y508 HydrophobicContact CD1-CD2 3.62Å; F458-Y508 AromaticContact CD1-CE2 3.8Å; F458-Y508 HydrophobicContact CD1-CE2 3.8Å; F458-Y508 AromaticContact CE1-CD2 3.32Å; F458-Y508 HydrophobicContact CE1-CD2 3.32Å; F458-Y508 AromaticContact CE1-CE2 3.98Å; F458-Y508 HydrophobicContact CE1-CE2 3.98Å; F458-Y508 HydrophobicContact CE1-CG 4.1Å; F458-Y508 HydrophobicContact CG-CD2 4.42Å; F458-Y508 AromaticContact CZ-CD2 3.9Å; F458-Y508 HydrophobicContact CZ-CD2 3.9Å; F458-C511 HydrophobicContact CE1-CB 4.06Å |
| 459 | T | 91.2 | Very high | 86.6 | Confident | 19 Ų | 19 | 50.5 Ų | 50.5 | 12% | 0.117 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.4 | -42 | 176.9 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | W335 L455 M456 V457 I461 C462 A463 Y508 | W335-T459 HydrophobicContact CD2-CG2 4.24Å; W335-T459 VanDerWaalsContact CE2-CG2 3.42Å; W335-T459 HydrophobicContact CH2-CG2 4.27Å; W335-T459 HydrophobicContact CZ2-CG2 3.44Å; W335-T459 VanDerWaalsContact CZ2-CG2 3.44Å; L455-T459 VanDerWaalsContact O-CB 3.23Å; L455-T459 WeakPolarHBondContact O-CB 3.37Å; L455-T459 PolarHBondContact O-N 3.01Å; L455-T459 PolarHBondContact O-OG1 2.76Å; M456-T459 PolarHBondContact O-N 2.88Å; V457-T459 PolarHBondContact O-N 3.06Å; T459-I461 PolarHBondContact O-N 3.36Å; T459-C462 PolarHBondContact O-N 2.69Å; T459-A463 WeakPolarHBondContact O-CB 3.41Å; T459-A463 PolarHBondContact O-N 3.09Å; T459-Y508 PolarHBondContact OG1-OH 2.76Å |
| 460 | F | 91.2 | Very high | 86.7 | Confident | 165 Ų | 165 | 56 Ų | 56 | 72% | 0.724 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -62.8 | -41.5 | 177.8 | -172.9 | -98.3 | 0 | 0 | 0 | 112 | M456 V457 F458 A463 G464 | M456-F460 WeakPolarHBondContact O-CB 3.35Å; M456-F460 PolarHBondContact O-N 2.79Å; V457-F460 PolarHBondContact O-N 3.47Å; F458-F460 PolarHBondContact O-N 2.82Å; F460-A463 PolarHBondContact O-N 3.02Å; F460-G464 PolarHBondContact O-N 2.85Å |
| 461 | I | 90.5 | Very high | 87 | Confident | 89 Ų | 89 | 55.6 Ų | 55.6 | 46% | 0.456 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.7 | -47.9 | 174.8 | -67.2 | 166.7 | 0 | 0 | 0 | 110.5 | V457 F458 T459 A463 G464 L465 | V457-I461 HydrophobicContact CG1-CD1 3.9Å; V457-I461 WeakPolarHBondContact O-CG1 3.35Å; V457-I461 PolarHBondContact O-N 3.13Å; F458-I461 PolarHBondContact O-N 3.18Å; T459-I461 PolarHBondContact O-N 3.36Å; I461-A463 PolarHBondContact O-N 2.84Å; I461-G464 PolarHBondContact O-N 2.86Å; I461-L465 HydrophobicContact CG2-CD1 4.05Å; I461-L465 HydrophobicContact CG2-CG 4.46Å; I461-L465 WeakPolarHBondContact O-CG 3.32Å; I461-L465 PolarHBondContact O-N 2.65Å |
| 462 | C | 91.4 | Very high | 86.9 | Confident | 3 Ų | 3 | 59.4 Ų | 59.4 | 2% | 0.02 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 178.5 | -69.3 | 0 | 0 | 0 | 0 | 112.5 | F458 T459 L465 T466 M504 | F458-C462 PolarHBondContact O-N 3.3Å; F458-C462 PolarHBondContact O-SG 3.18Å; F458-C462 VanDerWaalsContact O-SG 3.36Å; T459-C462 PolarHBondContact O-N 2.69Å; C462-L465 PolarHBondContact O-N 3.35Å; C462-T466 WeakPolarHBondContact O-CB 3.32Å; C462-T466 PolarHBondContact O-N 3.48Å; C462-T466 PolarHBondContact O-OG1 3.22Å; C462-M504 HydrophobicContact CB-CE 4.18Å; C462-M504 HydrophobicContact CB-CG 4.38Å; C462-M504 HydrophobicContact CB-SD 3.88Å; C462-M504 WeakPolarHBondContact O-CE 3.48Å |
| 463 | A | 91.1 | Very high | 86.4 | Confident | 38 Ų | 38 | 60.3 Ų | 60.3 | 31% | 0.314 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.7 | -45.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | T459 F460 I461 L465 T466 V467 | T459-A463 WeakPolarHBondContact O-CB 3.41Å; T459-A463 PolarHBondContact O-N 3.09Å; F460-A463 PolarHBondContact O-N 3.02Å; I461-A463 PolarHBondContact O-N 2.84Å; A463-L465 PolarHBondContact O-N 3.05Å; A463-T466 WeakPolarHBondContact O-CB 3.34Å; A463-T466 PolarHBondContact O-N 2.75Å; A463-V467 WeakPolarHBondContact O-CG2 3.49Å; A463-V467 PolarHBondContact O-N 3.08Å |
| 464 | G | 90.3 | Very high | 86.1 | Confident | 35 Ų | 35 | 60.4 Ų | 60.4 | 36% | 0.361 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.9 | -44.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F460 I461 T466 V467 S468 | F460-G464 PolarHBondContact O-N 2.85Å; I461-G464 PolarHBondContact O-N 2.86Å; G464-T466 VanDerWaalsContact C-N 3.33Å; G464-T466 PolarHBondContact O-N 3.21Å; G464-V467 PolarHBondContact O-N 2.87Å; G464-S468 WeakPolarHBondContact O-CB 3.16Å; G464-S468 PolarHBondContact O-N 3.04Å; G464-S468 PolarHBondContact O-OG 3.18Å |
| 465 | L | 88.6 | Confident | 85.5 | Confident | 77 Ų | 77 | 63.5 Ų | 63.5 | 40% | 0.403 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.7 | -37.9 | 175.4 | -71.9 | 174.8 | 0 | 0 | 0 | 112.4 | I461 C462 A463 A469 M504 | I461-L465 HydrophobicContact CG2-CD1 4.05Å; I461-L465 HydrophobicContact CG2-CG 4.46Å; I461-L465 WeakPolarHBondContact O-CG 3.32Å; I461-L465 PolarHBondContact O-N 2.65Å; C462-L465 PolarHBondContact O-N 3.35Å; A463-L465 PolarHBondContact O-N 3.05Å; L465-A469 VanDerWaalsContact O-CB 3.25Å; L465-A469 WeakPolarHBondContact O-CB 3.41Å; L465-A469 PolarHBondContact O-N 3.26Å; L465-M504 HydrophobicContact CB-CE 4.3Å; L465-M504 HydrophobicContact CB-SD 3.96Å; L465-M504 HydrophobicContact CD1-SD 3.9Å |
| 466 | T | 90.4 | Very high | 84.5 | Confident | 39 Ų | 39 | 65.1 Ų | 65.1 | 24% | 0.239 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.7 | -45 | 177.4 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | C462 A463 G464 A469 F470 V501 M504 | C462-T466 WeakPolarHBondContact O-CB 3.32Å; C462-T466 PolarHBondContact O-N 3.48Å; C462-T466 PolarHBondContact O-OG1 3.22Å; A463-T466 WeakPolarHBondContact O-CB 3.34Å; A463-T466 PolarHBondContact O-N 2.75Å; G464-T466 VanDerWaalsContact C-N 3.33Å; G464-T466 PolarHBondContact O-N 3.21Å; T466-A469 PolarHBondContact O-N 3.05Å; T466-F470 PolarHBondContact O-N 3.19Å; T466-V501 HydrophobicContact CG2-CG1 4.18Å; T466-M504 WeakPolarHBondContact OG1-CE 3.36Å |
| 467 | V | 90.1 | Very high | 83.4 | Confident | 85 Ų | 85 | 66.7 Ų | 66.7 | 52% | 0.515 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 178.5 | 174.3 | 0 | 0 | 0 | 0 | 111 | A463 G464 A469 F470 I471 | A463-V467 WeakPolarHBondContact O-CG2 3.49Å; A463-V467 PolarHBondContact O-N 3.08Å; G464-V467 PolarHBondContact O-N 2.87Å; V467-A469 VanDerWaalsContact C-N 3.32Å; V467-A469 PolarHBondContact O-N 2.83Å; V467-F470 PolarHBondContact O-N 2.93Å; V467-I471 HydrophobicContact CG1-CD1 3.85Å; V467-I471 HydrophobicContact CG1-CG1 4.45Å; V467-I471 WeakPolarHBondContact O-CG1 3.41Å; V467-I471 PolarHBondContact O-N 3.21Å |
| 468 | S | 85.7 | Confident | 82 | Confident | 67 Ų | 67 | 63.4 Ų | 63.4 | 47% | 0.469 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.2 | -42.2 | 175.5 | -62.8 | 0 | 0 | 0 | 0 | 112 | G464 I471 M472 | G464-S468 WeakPolarHBondContact O-CB 3.16Å; G464-S468 PolarHBondContact O-N 3.04Å; G464-S468 PolarHBondContact O-OG 3.18Å; S468-I471 PolarHBondContact O-N 3.15Å; S468-M472 VanDerWaalsContact O-CG 3.27Å; S468-M472 WeakPolarHBondContact O-CG 3.18Å; S468-M472 PolarHBondContact O-N 2.63Å |
| 469 | A | 82 | Confident | 80.2 | Confident | 5 Ų | 5 | 67.7 Ų | 67.7 | 4% | 0.041 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L465 T466 V467 I471 M472 T473 F497 V501 | L465-A469 VanDerWaalsContact O-CB 3.25Å; L465-A469 WeakPolarHBondContact O-CB 3.41Å; L465-A469 PolarHBondContact O-N 3.26Å; T466-A469 PolarHBondContact O-N 3.05Å; V467-A469 VanDerWaalsContact C-N 3.32Å; V467-A469 PolarHBondContact O-N 2.83Å; A469-I471 PolarHBondContact O-N 2.93Å; A469-M472 PolarHBondContact O-N 3.38Å; A469-T473 PolarHBondContact O-N 2.88Å; A469-T473 PolarHBondContact O-OG1 3.16Å; A469-F497 HydrophobicContact CB-CB 3.98Å; A469-F497 HydrophobicContact CB-CD1 3.57Å; A469-F497 HydrophobicContact CB-CE1 4.35Å; A469-F497 HydrophobicContact CB-CG 3.95Å; A469-V501 HydrophobicContact CB-CG2 3.66Å |
| 470 | F | 82.3 | Confident | 78.2 | Confident | 131 Ų | 131 | 71.3 Ų | 71.3 | 58% | 0.575 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -58.7 | -47.9 | 177.1 | 177.7 | -98.4 | 0 | 0 | 0 | 112 | T466 V467 M472 T473 Q474 | T466-F470 PolarHBondContact O-N 3.19Å; V467-F470 PolarHBondContact O-N 2.93Å; F470-M472 VanDerWaalsContact C-N 3.32Å; F470-M472 PolarHBondContact O-N 2.59Å; F470-T473 PolarHBondContact O-N 3.34Å; F470-Q474 HydrophobicContact CD1-CG 4.21Å; F470-Q474 HydrophobicContact CD2-CG 4.47Å; F470-Q474 HydrophobicContact CE1-CG 3.79Å; F470-Q474 HydrophobicContact CE2-CG 4.07Å; F470-Q474 HydrophobicContact CZ-CG 3.71Å; F470-Q474 VanDerWaalsContact O-CG 3.3Å; F470-Q474 WeakPolarHBondContact O-CG 3.42Å; F470-Q474 PolarHBondContact O-N 2.69Å |
| 471 | I | 83.6 | Confident | 76.1 | Confident | 85 Ų | 85 | 73.2 Ų | 73.2 | 44% | 0.436 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.1 | -44 | 178.5 | -67.8 | 167.7 | 0 | 0 | 0 | 110.7 | V467 S468 A469 Q474 I475 | V467-I471 HydrophobicContact CG1-CD1 3.85Å; V467-I471 HydrophobicContact CG1-CG1 4.45Å; V467-I471 WeakPolarHBondContact O-CG1 3.41Å; V467-I471 PolarHBondContact O-N 3.21Å; S468-I471 PolarHBondContact O-N 3.15Å; A469-I471 PolarHBondContact O-N 2.93Å; I471-Q474 PolarHBondContact O-N 3.35Å; I471-I475 HydrophobicContact CG2-CD1 3.68Å; I471-I475 HydrophobicContact CG2-CG1 4.39Å; I471-I475 VanDerWaalsContact O-CG1 3.26Å; I471-I475 WeakPolarHBondContact O-CG1 3.45Å; I471-I475 PolarHBondContact O-N 3.4Å |
| 472 | M | 76.2 | Confident | 74 | Confident | 106 Ų | 106 | 79 Ų | 79 | 52% | 0.522 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 178.6 | -71.9 | -67.8 | -176.8 | 0 | 0 | 112.5 | S468 A469 F470 I475 G476 F497 | S468-M472 VanDerWaalsContact O-CG 3.27Å; S468-M472 WeakPolarHBondContact O-CG 3.18Å; S468-M472 PolarHBondContact O-N 2.63Å; A469-M472 PolarHBondContact O-N 3.38Å; F470-M472 VanDerWaalsContact C-N 3.32Å; F470-M472 PolarHBondContact O-N 2.59Å; M472-I475 PolarHBondContact O-N 2.88Å; M472-G476 PolarHBondContact O-N 3.5Å; M472-F497 HydrophobicContact CB-CD2 3.98Å; M472-F497 HydrophobicContact CB-CE2 3.5Å; M472-F497 VanDerWaalsContact CB-CE2 3.5Å; M472-F497 HydrophobicContact CB-CZ 4.01Å; M472-F497 HydrophobicContact CG-CE2 3.97Å; M472-F497 HydrophobicContact CG-CZ 4Å |
| 473 | T | 73.8 | Confident | 71.8 | Confident | 20 Ų | 20 | 80.7 Ų | 80.7 | 12% | 0.123 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 174.6 | -63 | 0 | 0 | 0 | 0 | 111.2 | A469 F470 I475 G476 E477 | A469-T473 PolarHBondContact O-N 2.88Å; A469-T473 PolarHBondContact O-OG1 3.16Å; F470-T473 PolarHBondContact O-N 3.34Å; T473-I475 PolarHBondContact O-N 2.94Å; T473-G476 PolarHBondContact O-N 2.64Å; T473-E477 WeakPolarHBondContact O-CG 3.42Å; T473-E477 PolarHBondContact O-N 3.45Å |
| 474 | Q | 77 | Confident | 69.5 | Low | 90 Ų | 90 | 85.2 Ų | 85.2 | 42% | 0.421 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.1 | -36.9 | 177.9 | -69.7 | -62.9 | -37.9 | 0 | 0 | 112.8 | F470 I471 G478 | F470-Q474 HydrophobicContact CD1-CG 4.21Å; F470-Q474 HydrophobicContact CD2-CG 4.47Å; F470-Q474 HydrophobicContact CE1-CG 3.79Å; F470-Q474 HydrophobicContact CE2-CG 4.07Å; F470-Q474 HydrophobicContact CZ-CG 3.71Å; F470-Q474 VanDerWaalsContact O-CG 3.3Å; F470-Q474 WeakPolarHBondContact O-CG 3.42Å; F470-Q474 PolarHBondContact O-N 2.69Å; I471-Q474 PolarHBondContact O-N 3.35Å; Q474-G478 WeakPolarHBondContact O-CA 3.47Å; Q474-G478 PolarHBondContact O-N 2.85Å |
| 475 | I | 72.3 | Confident | 67.3 | Low | 94 Ų | 94 | 91 Ų | 91 | 48% | 0.482 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66.9 | -42 | 174.5 | -68.4 | 165.7 | 0 | 0 | 0 | 110.4 | I471 M472 T473 G478 Q479 | I471-I475 HydrophobicContact CG2-CD1 3.68Å; I471-I475 HydrophobicContact CG2-CG1 4.39Å; I471-I475 VanDerWaalsContact O-CG1 3.26Å; I471-I475 WeakPolarHBondContact O-CG1 3.45Å; I471-I475 PolarHBondContact O-N 3.4Å; M472-I475 PolarHBondContact O-N 2.88Å; T473-I475 PolarHBondContact O-N 2.94Å; I475-G478 WeakPolarHBondContact O-CA 3.04Å; I475-G478 PolarHBondContact O-N 2.85Å; I475-Q479 PolarHBondContact O-N 2.85Å |
| 476 | G | 63.8 | Low | 65.1 | Low | 36 Ų | 36 | 94.3 Ų | 94.3 | 37% | 0.371 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | M472 T473 G478 Q479 L480 | M472-G476 PolarHBondContact O-N 3.5Å; T473-G476 PolarHBondContact O-N 2.64Å; G476-G478 VanDerWaalsContact C-N 3.28Å; G476-Q479 PolarHBondContact O-N 3.03Å; G476-L480 PolarHBondContact O-N 2.94Å |
| 477 | E | 63.2 | Low | 62.7 | Low | 90 Ų | 90 | 101.6 Ų | 101.6 | 42% | 0.421 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.1 | -34.4 | 171.3 | -72.7 | 177.5 | -178.5 | 0 | 0 | 111.7 | T473 L480 | T473-E477 WeakPolarHBondContact O-CG 3.42Å; T473-E477 PolarHBondContact O-N 3.45Å; E477-L480 VanDerWaalsContact O-CB 3.31Å; E477-L480 WeakPolarHBondContact O-CB 3.21Å; E477-L480 PolarHBondContact O-N 3.02Å |
| 478 | G | 57.8 | Low | 60.3 | Low | 19 Ų | 19 | 102.6 Ų | 102.6 | 20% | 0.196 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -53.1 | -54.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q474 I475 G476 L480 R481 | Q474-G478 WeakPolarHBondContact O-CA 3.47Å; Q474-G478 PolarHBondContact O-N 2.85Å; I475-G478 WeakPolarHBondContact O-CA 3.04Å; I475-G478 PolarHBondContact O-N 2.85Å; G476-G478 VanDerWaalsContact C-N 3.28Å; G478-L480 PolarHBondContact O-N 2.9Å; G478-L480 VanDerWaalsContact O-N 3.16Å; G478-R481 WeakPolarHBondContact O-CA 3.45Å; G478-R481 VanDerWaalsContact O-CB 3.32Å; G478-R481 WeakPolarHBondContact O-CB 3.48Å; G478-R481 PolarHBondContact O-N 3.25Å |
| 479 | Q | 52.3 | Low | 58.3 | Low | 128 Ų | 128 | 103.5 Ų | 103.5 | 60% | 0.598 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -55 | -33.7 | 179.7 | -70.7 | 179.5 | -47.3 | 0 | 0 | 113.2 | I475 G476 R481 W482 | I475-Q479 PolarHBondContact O-N 2.85Å; G476-Q479 PolarHBondContact O-N 3.03Å; Q479-R481 PolarHBondContact O-N 3.25Å; Q479-W482 PolarHBondContact O-N 3.05Å; Q479-W482 VanDerWaalsContact O-N 3.11Å |
| 480 | L | 48.4 | Very low | 56.8 | Low | 95 Ų | 95 | 110.1 Ų | 110.1 | 50% | 0.497 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.8 | -32.6 | 173.9 | -160.8 | 79.3 | 0 | 0 | 0 | 112.7 | W50 G476 E477 G478 W482 | W50-L480 HydrophobicContact CZ2-CD1 4.5Å; W50-L480 VanDerWaalsContact NE1-CD1 3.32Å; G476-L480 PolarHBondContact O-N 2.94Å; E477-L480 VanDerWaalsContact O-CB 3.31Å; E477-L480 WeakPolarHBondContact O-CB 3.21Å; E477-L480 PolarHBondContact O-N 3.02Å; G478-L480 PolarHBondContact O-N 2.9Å; G478-L480 VanDerWaalsContact O-N 3.16Å; L480-W482 VanDerWaalsContact C-N 3.32Å |
| 481 | R | 47.5 | Very low | 55.5 | Low | 206 Ų | 206 | 106.9 Ų | 106.9 | 78% | 0.777 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -74.4 | -20.1 | 177.6 | -58.9 | -179 | 76.5 | 158.5 | 3.9 | 113.3 | G478 Q479 | G478-R481 WeakPolarHBondContact O-CA 3.45Å; G478-R481 VanDerWaalsContact O-CB 3.32Å; G478-R481 WeakPolarHBondContact O-CB 3.48Å; G478-R481 PolarHBondContact O-N 3.25Å; Q479-R481 PolarHBondContact O-N 3.25Å |
| 482 | W | 46.5 | Very low | 55 | Low | 211 Ų | 211 | 106 Ų | 106 | 80% | 0.799 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | 2 | -176.8 | -60.1 | 87 | 0 | 0 | 0 | 113.6 | Q479 L480 D484 | Q479-W482 PolarHBondContact O-N 3.05Å; Q479-W482 VanDerWaalsContact O-N 3.11Å; L480-W482 VanDerWaalsContact C-N 3.32Å; W482-D484 VanDerWaalsContact C-N 3.26Å; W482-D484 PolarHBondContact O-N 2.85Å |
| 483 | G | 45.3 | Very low | 55.1 | Low | 38 Ų | 38 | 107.3 Ų | 107.3 | 39% | 0.392 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71 | 14.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y485 | G483-Y485 WeakPolarHBondContact O-CD2 3.29Å; G483-Y485 PolarHBondContact O-N 2.86Å; G483-Y485 VanDerWaalsContact O-N 3.08Å |
| 484 | D | 42.4 | Very low | 55.4 | Low | 133 Ų | 133 | 108 Ų | 108 | 71% | 0.711 | 55% | 0.55 | S | S | * | * | trans | -80.5 | 87.3 | 173 | -77.7 | -23.4 | 0 | 0 | 0 | 109.6 | W482 D486 | W482-D484 VanDerWaalsContact C-N 3.26Å; W482-D484 PolarHBondContact O-N 2.85Å; D484-D486 PolarHBondContact O-N 2.83Å | ||
| 485 | Y | 44.9 | Very low | 55.9 | Low | 156 Ų | 156 | 103.8 Ų | 103.8 | 61% | 0.612 | 53% | 0.53 | S | S | * | . | trans | -83.4 | 51.1 | 172.6 | -63.3 | -90.9 | 0 | 0 | 0 | 111.8 | W50 G483 E487 | W50-Y485 AromaticContact CH2-CE1 3.79Å; W50-Y485 HydrophobicContact CH2-CE1 3.79Å; W50-Y485 AromaticContact CH2-CZ 3.68Å; W50-Y485 WeakPolarHBondContact CH2-OH 3.49Å; W50-Y485 AromaticContact CZ2-CE1 3.37Å; W50-Y485 HydrophobicContact CZ2-CE1 3.37Å; W50-Y485 AromaticContact CZ2-CZ 3.55Å; W50-Y485 WeakPolarHBondContact CZ2-OH 3.21Å; G483-Y485 WeakPolarHBondContact O-CD2 3.29Å; G483-Y485 PolarHBondContact O-N 2.86Å; G483-Y485 VanDerWaalsContact O-N 3.08Å; Y485-E487 PolarHBondContact O-N 2.86Å | ||
| 486 | D | 41.7 | Very low | 56.7 | Low | 146 Ų | 146 | 99.8 Ų | 99.8 | 78% | 0.781 | 51% | 0.511 | S | S | * | . | trans | -83.3 | 113 | 173.1 | -85.1 | -16.3 | 0 | 0 | 0 | 110.1 | D484 S488 | D484-D486 PolarHBondContact O-N 2.83Å; D486-S488 PolarHBondContact O-N 2.88Å | ||
| 487 | E | 39.3 | Very low | 57.8 | Low | 192 Ų | 192 | 100.4 Ų | 100.4 | 90% | 0.897 | 50% | 0.504 | S | S | * | . | trans | -53 | 94.1 | 166.6 | -70.6 | -175.5 | 139.6 | 0 | 0 | 110.7 | Y485 | Y485-E487 PolarHBondContact O-N 2.86Š| ||
| 488 | S | 39.4 | Very low | 59 | Low | 107 Ų | 107 | 99.4 Ų | 99.4 | 75% | 0.748 | 50% | 0.501 | S | S | * | . | trans | 162.2 | 154.5 | 148.9 | 41.7 | 0 | 0 | 0 | 0 | 112.6 | D486 | D486-S488 PolarHBondContact O-N 2.88Š| ||
| 489 | P | 44.8 | Very low | 60.7 | Low | 85 Ų | 85 | 98.5 Ų | 98.5 | 55% | 0.552 | 49% | 0.492 | S | S | * | . | cis | -116.8 | 171.6 | 2.4 | 35 | -18.1 | 0 | 0 | 0 | 113.2 | L491 | P489-L491 PolarHBondContact O-N 2.79Š| ||
| 490 | T | 50 | Low | 62.6 | Low | 144 Ų | 144 | 92.4 Ų | 92.4 | 88% | 0.883 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -49.5 | -8.5 | -175.7 | 52.4 | 0 | 0 | 0 | 0 | 118.2 | ||
| 491 | L | 55.8 | Low | 64.7 | Low | 63 Ų | 63 | 89.3 Ų | 89.3 | 33% | 0.33 | 45% | 0.448 | S | S | . | . | trans | -98.8 | 118 | -178.2 | -162.4 | 88.7 | 0 | 0 | 0 | 110.4 | L42 P489 Y493 | L42-L491 HydrophobicContact CD2-CD1 3.91Å; P489-L491 PolarHBondContact O-N 2.79Å; L491-Y493 HydrophobicContact CD2-CD1 4.13Å; L491-Y493 HydrophobicContact CD2-CE1 3.67Å; L491-Y493 PolarHBondContact O-N 2.88Å | ||
| 492 | Q | 71.8 | Confident | 66.8 | Low | 68 Ų | 68 | 80.3 Ų | 80.3 | 32% | 0.318 | 41% | 0.414 | S | S | . | . | trans | -94.9 | 102 | -177.8 | -65.7 | 176.5 | 3.2 | 0 | 0 | 110.7 | G41 A44 P45 S494 S495 A496 | G41-Q492 PolarHBondContact O-N 3.13Å; A44-Q492 PolarHBondContact O-OE1 3.15Å; P45-Q492 PolarHBondContact O-OE1 3.36Å; Q492-S494 PolarHBondContact O-N 2.77Å; Q492-S495 VanDerWaalsContact CB-OG 3.26Å; Q492-S495 WeakPolarHBondContact CB-OG 3.14Å; Q492-S495 PolarHBondContact O-OG 2.87Å; Q492-S495 VanDerWaalsContact O-OG 3.04Å; Q492-A496 WeakPolarHBondContact O-CB 3.42Å; Q492-A496 PolarHBondContact O-N 3.3Å; Q492-A496 VanDerWaalsContact O-N 3.08Å | ||
| 493 | Y | 78.4 | Confident | 69.1 | Low | 133 Ų | 133 | 70.3 Ų | 70.3 | 52% | 0.522 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62 | -43.7 | -174.9 | -62.7 | -75.7 | 0 | 0 | 0 | 111.9 | L491 S495 A496 F497 | L491-Y493 HydrophobicContact CD2-CD1 4.13Å; L491-Y493 HydrophobicContact CD2-CE1 3.67Å; L491-Y493 PolarHBondContact O-N 2.88Å; Y493-S495 PolarHBondContact O-N 2.9Å; Y493-A496 WeakPolarHBondContact O-CB 3.5Å; Y493-A496 PolarHBondContact O-N 3.14Å; Y493-F497 HydrophobicContact CD1-CE2 4.47Å; Y493-F497 WeakPolarHBondContact O-CB 3.33Å; Y493-F497 WeakPolarHBondContact O-CD2 3.45Å; Y493-F497 WeakPolarHBondContact O-CG 3.36Å; Y493-F497 PolarHBondContact O-N 3.26Å |
| 494 | S | 81.8 | Confident | 71.4 | Confident | 35 Ų | 35 | 68.8 Ų | 68.8 | 25% | 0.245 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.4 | -45 | -175.7 | -170.5 | 0 | 0 | 0 | 0 | 112.7 | Q492 F497 L498 | Q492-S494 PolarHBondContact O-N 2.77Å; S494-F497 PolarHBondContact O-N 2.95Å; S494-L498 WeakPolarHBondContact O-CG 3.3Å; S494-L498 PolarHBondContact O-N 2.84Å; S494-L498 VanDerWaalsContact O-N 3.1Å |
| 495 | S | 87.1 | Confident | 73.9 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.9 | -41.5 | 175.2 | 55.5 | 0 | 0 | 0 | 0 | 112.1 | G40 A44 P45 Q492 Y493 F497 L498 T499 | G40-S495 PolarHBondContact O-OG 2.9Å; A44-S495 PolarHBondContact O-OG 3.25Å; P45-S495 WeakPolarHBondContact O-CB 3.32Å; Q492-S495 VanDerWaalsContact CB-OG 3.26Å; Q492-S495 WeakPolarHBondContact CB-OG 3.14Å; Q492-S495 PolarHBondContact O-OG 2.87Å; Q492-S495 VanDerWaalsContact O-OG 3.04Å; Y493-S495 PolarHBondContact O-N 2.9Å; S495-F497 VanDerWaalsContact C-N 3.3Å; S495-F497 PolarHBondContact O-N 2.9Å; S495-L498 PolarHBondContact O-N 2.94Å; S495-T499 WeakPolarHBondContact O-CG2 3.09Å; S495-T499 PolarHBondContact O-N 3.46Å; S495-T499 PolarHBondContact O-OG1 2.92Å |
| 496 | A | 88.3 | Confident | 76.3 | Confident | 11 Ų | 11 | 56.2 Ų | 56.2 | 9% | 0.091 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.8 | -42.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F37 Q492 Y493 T499 G500 | F37-A496 VanDerWaalsContact CD1-O 3.26Å; F37-A496 WeakPolarHBondContact CD1-O 3.44Å; Q492-A496 WeakPolarHBondContact O-CB 3.42Å; Q492-A496 PolarHBondContact O-N 3.3Å; Q492-A496 VanDerWaalsContact O-N 3.08Å; Y493-A496 WeakPolarHBondContact O-CB 3.5Å; Y493-A496 PolarHBondContact O-N 3.14Å; A496-T499 PolarHBondContact O-OG1 3.3Å; A496-G500 WeakPolarHBondContact O-CA 3.48Å; A496-G500 PolarHBondContact O-N 2.99Å |
| 497 | F | 87.9 | Confident | 78.8 | Confident | 48 Ų | 48 | 49.5 Ų | 49.5 | 21% | 0.211 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.9 | -42.6 | 179.5 | -77.1 | -56.3 | 0 | 0 | 0 | 112.1 | F37 A469 M472 Y493 S494 S495 G500 V501 | F37-F497 HydrophobicContact CE1-CD1 4.01Å; F37-F497 HydrophobicContact CE1-CE1 4.45Å; A469-F497 HydrophobicContact CB-CB 3.98Å; A469-F497 HydrophobicContact CB-CD1 3.57Å; A469-F497 HydrophobicContact CB-CE1 4.35Å; A469-F497 HydrophobicContact CB-CG 3.95Å; M472-F497 HydrophobicContact CB-CD2 3.98Å; M472-F497 HydrophobicContact CB-CE2 3.5Å; M472-F497 VanDerWaalsContact CB-CE2 3.5Å; M472-F497 HydrophobicContact CB-CZ 4.01Å; M472-F497 HydrophobicContact CG-CE2 3.97Å; M472-F497 HydrophobicContact CG-CZ 4Å; Y493-F497 HydrophobicContact CD1-CE2 4.47Å; Y493-F497 WeakPolarHBondContact O-CB 3.33Å; Y493-F497 WeakPolarHBondContact O-CD2 3.45Å; Y493-F497 WeakPolarHBondContact O-CG 3.36Å; Y493-F497 PolarHBondContact O-N 3.26Å; S494-F497 PolarHBondContact O-N 2.95Å; S495-F497 VanDerWaalsContact C-N 3.3Å; S495-F497 PolarHBondContact O-N 2.9Å; F497-G500 PolarHBondContact O-N 2.75Å; F497-V501 WeakPolarHBondContact O-CB 3.38Å; F497-V501 VanDerWaalsContact O-CG2 3.28Å; F497-V501 WeakPolarHBondContact O-CG2 3.35Å; F497-V501 PolarHBondContact O-N 3.31Å |
| 498 | L | 87.9 | Confident | 81.3 | Confident | 70 Ų | 70 | 40.4 Ų | 40.4 | 37% | 0.366 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62 | -49.7 | 176.7 | -74 | 174.3 | 0 | 0 | 0 | 112.1 | P47 F250 S494 S495 G500 Y502 | P47-L498 HydrophobicContact CB-CD1 3.66Å; P47-L498 HydrophobicContact CG-CD1 3.41Å; P47-L498 VanDerWaalsContact CG-CD1 3.41Å; F250-L498 HydrophobicContact CE2-CB 4.5Å; F250-L498 HydrophobicContact CE2-CD1 4.28Å; F250-L498 HydrophobicContact CZ-CB 4.24Å; F250-L498 HydrophobicContact CZ-CD1 3.8Å; S494-L498 WeakPolarHBondContact O-CG 3.3Å; S494-L498 PolarHBondContact O-N 2.84Å; S494-L498 VanDerWaalsContact O-N 3.1Å; S495-L498 PolarHBondContact O-N 2.94Å; L498-G500 VanDerWaalsContact C-N 3.34Å; L498-Y502 VanDerWaalsContact O-CB 3.28Å; L498-Y502 WeakPolarHBondContact O-CB 3.39Å; L498-Y502 PolarHBondContact O-N 3.4Å |
| 499 | T | 92.4 | Very high | 83.9 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.3 | -39 | 177.6 | 61.5 | 0 | 0 | 0 | 0 | 111.3 | F36 G40 W254 M257 S495 A496 Y502 G503 | F36-T499 WeakPolarHBondContact O-CB 3.44Å; F36-T499 PolarHBondContact O-OG1 3.33Å; G40-T499 WeakPolarHBondContact CA-OG1 3.5Å; G40-T499 PolarHBondContact N-OG1 3.14Å; W254-T499 HydrophobicContact CE3-CG2 4.47Å; M257-T499 WeakPolarHBondContact CE-O 3.28Å; M257-T499 HydrophobicContact SD-CG2 4.4Å; S495-T499 WeakPolarHBondContact O-CG2 3.09Å; S495-T499 PolarHBondContact O-N 3.46Å; S495-T499 PolarHBondContact O-OG1 2.92Å; A496-T499 PolarHBondContact O-OG1 3.3Å; T499-Y502 PolarHBondContact O-N 3.02Å; T499-G503 PolarHBondContact O-N 3.15Å |
| 500 | G | 92.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.6 | -51.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q33 A496 F497 L498 Y502 G503 M504 | Q33-G500 PolarHBondContact NE2-O 3.43Å; A496-G500 WeakPolarHBondContact O-CA 3.48Å; A496-G500 PolarHBondContact O-N 2.99Å; F497-G500 PolarHBondContact O-N 2.75Å; L498-G500 VanDerWaalsContact C-N 3.34Å; G500-Y502 PolarHBondContact O-N 3.2Å; G500-G503 PolarHBondContact O-N 3.31Å; G500-M504 WeakPolarHBondContact O-CB 3.01Å; G500-M504 PolarHBondContact O-N 2.75Å |
| 501 | V | 92.5 | Very high | 88.1 | Confident | 29 Ų | 29 | 26.3 Ų | 26.3 | 18% | 0.176 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.9 | -42.3 | 178.9 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | T466 A469 F497 G503 M504 W505 | T466-V501 HydrophobicContact CG2-CG1 4.18Å; A469-V501 HydrophobicContact CB-CG2 3.66Å; F497-V501 WeakPolarHBondContact O-CB 3.38Å; F497-V501 VanDerWaalsContact O-CG2 3.28Å; F497-V501 WeakPolarHBondContact O-CG2 3.35Å; F497-V501 PolarHBondContact O-N 3.31Å; V501-G503 PolarHBondContact O-N 3.34Å; V501-M504 HydrophobicContact CG1-CE 4.44Å; V501-M504 WeakPolarHBondContact O-CB 2.99Å; V501-M504 PolarHBondContact O-N 2.9Å; V501-W505 PolarHBondContact O-N 3.4Å; V501-W505 VanDerWaalsContact O-N 3.09Å |
| 502 | Y | 93.2 | Very high | 89.7 | Confident | 18 Ų | 18 | 23.5 Ų | 23.5 | 7% | 0.071 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62 | -44 | 176.7 | 176.9 | -125.5 | 0 | 0 | 0 | 112.4 | W254 M257 K258 L261 M297 I300 D301 L498 T499 G500 M504 N506 | W254-Y502 HydrophobicContact CE3-CD1 4.38Å; W254-Y502 AromaticContact CH2-CD1 3.8Å; W254-Y502 HydrophobicContact CH2-CD1 3.8Å; W254-Y502 HydrophobicContact CH2-CD2 4.21Å; W254-Y502 AromaticContact CH2-CG 3.61Å; W254-Y502 HydrophobicContact CH2-CG 3.61Å; W254-Y502 HydrophobicContact CZ2-CD1 4.41Å; W254-Y502 HydrophobicContact CZ2-CG 4.34Å; W254-Y502 AromaticContact CZ3-CD1 3.78Å; W254-Y502 HydrophobicContact CZ3-CD1 3.78Å; W254-Y502 AromaticContact CZ3-CG 3.95Å; W254-Y502 HydrophobicContact CZ3-CG 3.95Å; M257-Y502 HydrophobicContact CE-CD1 3.3Å; M257-Y502 HydrophobicContact CE-CE1 3.82Å; M257-Y502 HydrophobicContact CE-CG 4.15Å; M257-Y502 HydrophobicContact CG-CD1 4.19Å; M257-Y502 HydrophobicContact CG-CE1 3.98Å; M257-Y502 HydrophobicContact SD-CD1 3.67Å; M257-Y502 HydrophobicContact SD-CE1 4.09Å; K258-Y502 HydrophobicContact CG-CE1 4.09Å; K258-Y502 WeakPolarHBondContact CG-OH 3.46Å; L261-Y502 HydrophobicContact CD1-CD1 4.47Å; L261-Y502 HydrophobicContact CD1-CE1 3.82Å; M297-Y502 HydrophobicContact CE-CD2 4.46Å; M297-Y502 HydrophobicContact CE-CE2 4.08Å; I300-Y502 HydrophobicContact CG2-CE2 3.79Å; D301-Y502 WeakPolarHBondContact OD1-CE2 3.46Å; D301-Y502 VanDerWaalsContact OD1-CZ 3.26Å; D301-Y502 PolarHBondContact OD1-OH 2.87Å; L498-Y502 VanDerWaalsContact O-CB 3.28Å; L498-Y502 WeakPolarHBondContact O-CB 3.39Å; L498-Y502 PolarHBondContact O-N 3.4Å; T499-Y502 PolarHBondContact O-N 3.02Å; G500-Y502 PolarHBondContact O-N 3.2Å; Y502-M504 VanDerWaalsContact C-N 3.33Å; Y502-M504 PolarHBondContact O-N 3.24Å; Y502-N506 WeakPolarHBondContact CE2-ND2 3.42Å; Y502-N506 PolarHBondContact O-N 2.93Å; Y502-N506 PolarHBondContact O-ND2 2.66Å |
| 503 | G | 93.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.6 | -36.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T499 G500 V501 N506 V507 | T499-G503 PolarHBondContact O-N 3.15Å; G500-G503 PolarHBondContact O-N 3.31Å; V501-G503 PolarHBondContact O-N 3.34Å; G503-N506 WeakPolarHBondContact O-CB 3.43Å; G503-N506 PolarHBondContact O-N 3.05Å; G503-V507 WeakPolarHBondContact O-CB 3.39Å; G503-V507 WeakPolarHBondContact O-CG2 3.35Å; G503-V507 PolarHBondContact O-N 2.74Å |
| 504 | M | 94.1 | Very high | 91 | Very high | 6 Ų | 6 | 15.8 Ų | 15.8 | 3% | 0.03 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.4 | -45.8 | 178.4 | -176.2 | 176.5 | 63.1 | 0 | 0 | 112.3 | Q33 C462 L465 T466 G500 V501 Y502 N506 V507 Y508 | Q33-M504 VanDerWaalsContact OE1-N 3.16Å; C462-M504 HydrophobicContact CB-CE 4.18Å; C462-M504 HydrophobicContact CB-CG 4.38Å; C462-M504 HydrophobicContact CB-SD 3.88Å; C462-M504 WeakPolarHBondContact O-CE 3.48Å; L465-M504 HydrophobicContact CB-CE 4.3Å; L465-M504 HydrophobicContact CB-SD 3.96Å; L465-M504 HydrophobicContact CD1-SD 3.9Å; T466-M504 WeakPolarHBondContact OG1-CE 3.36Å; G500-M504 WeakPolarHBondContact O-CB 3.01Å; G500-M504 PolarHBondContact O-N 2.75Å; V501-M504 HydrophobicContact CG1-CE 4.44Å; V501-M504 WeakPolarHBondContact O-CB 2.99Å; V501-M504 PolarHBondContact O-N 2.9Å; Y502-M504 VanDerWaalsContact C-N 3.33Å; Y502-M504 PolarHBondContact O-N 3.24Å; M504-N506 VanDerWaalsContact C-N 3.3Å; M504-N506 PolarHBondContact O-N 3.37Å; M504-V507 PolarHBondContact O-N 2.82Å; M504-Y508 VanDerWaalsContact O-CB 3.24Å; M504-Y508 WeakPolarHBondContact O-CB 3.13Å; M504-Y508 PolarHBondContact O-N 3.48Å |
| 505 | W | 94.6 | Very high | 91.1 | Very high | 24 Ų | 24 | 14.4 Ų | 14.4 | 9% | 0.091 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -68.4 | -31.5 | 178.1 | -72.9 | 113 | 0 | 0 | 0 | 112.6 | M297 F327 L331 W335 V501 Y508 T509 | M297-W505 HydrophobicContact CE-CB 4.28Å; F327-W505 HydrophobicContact CE1-CB 4.37Å; F327-W505 HydrophobicContact CE1-CD2 4.17Å; F327-W505 HydrophobicContact CE1-CE3 4.31Å; F327-W505 HydrophobicContact CE1-CG 4.2Å; F327-W505 HydrophobicContact CZ-CB 4.08Å; F327-W505 HydrophobicContact CZ-CD2 4.18Å; F327-W505 AromaticContact CZ-CE3 3.98Å; F327-W505 HydrophobicContact CZ-CE3 3.98Å; F327-W505 HydrophobicContact CZ-CG 4.25Å; L331-W505 HydrophobicContact CD1-CZ3 3.93Å; L331-W505 HydrophobicContact CD2-CE3 3.99Å; L331-W505 HydrophobicContact CD2-CH2 3.56Å; L331-W505 HydrophobicContact CD2-CZ2 4.22Å; L331-W505 HydrophobicContact CD2-CZ3 3.42Å; L331-W505 VanDerWaalsContact CD2-CZ3 3.42Å; L331-W505 HydrophobicContact CG-CZ3 4.3Å; W335-W505 HydrophobicContact CH2-CH2 4.02Å; W335-W505 AromaticContact CZ2-CH2 3.79Å; W335-W505 HydrophobicContact CZ2-CH2 3.79Å; W335-W505 HydrophobicContact CZ2-CZ3 4.13Å; V501-W505 PolarHBondContact O-N 3.4Å; V501-W505 VanDerWaalsContact O-N 3.09Å; W505-Y508 AromaticContact CE3-CD1 3.94Å; W505-Y508 HydrophobicContact CE3-CD1 3.94Å; W505-Y508 HydrophobicContact CE3-CG 4.18Å; W505-Y508 AromaticContact CZ3-CD1 3.93Å; W505-Y508 HydrophobicContact CZ3-CD1 3.93Å; W505-Y508 HydrophobicContact CZ3-CE1 4.08Å; W505-Y508 HydrophobicContact CZ3-CG 4.24Å; W505-T509 WeakPolarHBondContact O-CB 3.28Å; W505-T509 PolarHBondContact O-N 2.89Å; W505-T509 PolarHBondContact O-OG1 2.83Å |
| 506 | N | 95 | Very high | 90.9 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -61.3 | -53.3 | 169.1 | -101.5 | -75.3 | 0 | 0 | 0 | 111.4 | L261 M265 M297 D301 Y502 G503 M504 Y508 T509 L510 | L261-N506 HydrophobicContact CD1-CB 4.34Å; L261-N506 HydrophobicContact CD2-CB 4.49Å; M265-N506 HydrophobicContact CE-CB 4.47Å; M265-N506 WeakPolarHBondContact CE-OD1 3.29Å; M297-N506 HydrophobicContact CE-CB 4.09Å; M297-N506 WeakPolarHBondContact CE-ND2 3.16Å; D301-N506 PolarHBondContact OD1-ND2 3.49Å; D301-N506 PolarHBondContact OD2-OD1 3.43Å; Y502-N506 WeakPolarHBondContact CE2-ND2 3.42Å; Y502-N506 PolarHBondContact O-N 2.93Å; Y502-N506 PolarHBondContact O-ND2 2.66Å; G503-N506 WeakPolarHBondContact O-CB 3.43Å; G503-N506 PolarHBondContact O-N 3.05Å; M504-N506 VanDerWaalsContact C-N 3.3Å; M504-N506 PolarHBondContact O-N 3.37Å; N506-Y508 VanDerWaalsContact C-N 3.33Å; N506-Y508 PolarHBondContact O-N 3.12Å; N506-T509 PolarHBondContact O-N 2.88Å; N506-L510 WeakPolarHBondContact O-CG 3.4Å; N506-L510 PolarHBondContact O-N 2.03Å |
| 507 | V | 93.3 | Very high | 90.7 | Very high | 6 Ų | 6 | 14.8 Ų | 14.8 | 4% | 0.036 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.2 | -42.4 | 177 | 163.7 | 0 | 0 | 0 | 0 | 111.8 | L29 L32 F36 G503 M504 T509 L510 C511 | L29-V507 HydrophobicContact CB-CG1 3.98Å; L29-V507 HydrophobicContact CD1-CG1 4.13Å; L29-V507 HydrophobicContact CD2-CG1 3.83Å; L29-V507 HydrophobicContact CG-CG1 4.17Å; L32-V507 HydrophobicContact CD2-CG2 3.78Å; L32-V507 HydrophobicContact CG-CG2 4.19Å; F36-V507 HydrophobicContact CE2-CG2 3.91Å; G503-V507 WeakPolarHBondContact O-CB 3.39Å; G503-V507 WeakPolarHBondContact O-CG2 3.35Å; G503-V507 PolarHBondContact O-N 2.74Å; M504-V507 PolarHBondContact O-N 2.82Å; V507-T509 PolarHBondContact O-N 3.12Å; V507-L510 PolarHBondContact O-N 2.87Å; V507-C511 WeakPolarHBondContact O-CB 3.35Å; V507-C511 PolarHBondContact O-N 2.85Å |
| 508 | Y | 93.5 | Very high | 90 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -58.7 | -48.2 | 177.6 | -179.9 | -93.2 | 0 | 0 | 0 | 111.2 | L331 W335 L455 F458 T459 M504 W505 N506 C511 L512 | L331-Y508 HydrophobicContact CD1-CE1 4Å; W335-Y508 PolarHBondContact NE1-OH 2.9Å; W335-Y508 VanDerWaalsContact NE1-OH 3.07Å; L455-Y508 HydrophobicContact CD1-CE2 4.12Å; F458-Y508 AromaticContact CD1-CD2 3.62Å; F458-Y508 HydrophobicContact CD1-CD2 3.62Å; F458-Y508 AromaticContact CD1-CE2 3.8Å; F458-Y508 HydrophobicContact CD1-CE2 3.8Å; F458-Y508 AromaticContact CE1-CD2 3.32Å; F458-Y508 HydrophobicContact CE1-CD2 3.32Å; F458-Y508 AromaticContact CE1-CE2 3.98Å; F458-Y508 HydrophobicContact CE1-CE2 3.98Å; F458-Y508 HydrophobicContact CE1-CG 4.1Å; F458-Y508 HydrophobicContact CG-CD2 4.42Å; F458-Y508 AromaticContact CZ-CD2 3.9Å; F458-Y508 HydrophobicContact CZ-CD2 3.9Å; T459-Y508 PolarHBondContact OG1-OH 2.76Å; M504-Y508 VanDerWaalsContact O-CB 3.24Å; M504-Y508 WeakPolarHBondContact O-CB 3.13Å; M504-Y508 PolarHBondContact O-N 3.48Å; W505-Y508 AromaticContact CE3-CD1 3.94Å; W505-Y508 HydrophobicContact CE3-CD1 3.94Å; W505-Y508 HydrophobicContact CE3-CG 4.18Å; W505-Y508 AromaticContact CZ3-CD1 3.93Å; W505-Y508 HydrophobicContact CZ3-CD1 3.93Å; W505-Y508 HydrophobicContact CZ3-CE1 4.08Å; W505-Y508 HydrophobicContact CZ3-CG 4.24Å; N506-Y508 VanDerWaalsContact C-N 3.33Å; N506-Y508 PolarHBondContact O-N 3.12Å; Y508-C511 WeakPolarHBondContact O-CB 3.33Å; Y508-C511 PolarHBondContact O-N 3.11Å; Y508-L512 HydrophobicContact CD1-CD1 3.82Å; Y508-L512 HydrophobicContact CD1-CG 4.48Å; Y508-L512 HydrophobicContact CE1-CD1 3.29Å; Y508-L512 HydrophobicContact CE1-CG 4.2Å; Y508-L512 WeakPolarHBondContact O-CB 3.47Å; Y508-L512 WeakPolarHBondContact O-CG 3.36Å; Y508-L512 PolarHBondContact O-N 3.27Å |
| 509 | T | 93.7 | Very high | 89.2 | Confident | 1 Ų | 1 | 10.3 Ų | 10.3 | 1% | 0.006 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -67 | -44.1 | 179.7 | -55.6 | 0 | 0 | 0 | 0 | 111.7 | M265 L293 M297 W505 N506 V507 C511 L512 L513 | M265-T509 HydrophobicContact CE-CG2 4.37Å; M265-T509 HydrophobicContact SD-CG2 4.1Å; L293-T509 HydrophobicContact CG-CG2 4.31Å; M297-T509 HydrophobicContact CB-CG2 4.01Å; M297-T509 HydrophobicContact CG-CG2 4.29Å; W505-T509 WeakPolarHBondContact O-CB 3.28Å; W505-T509 PolarHBondContact O-N 2.89Å; W505-T509 PolarHBondContact O-OG1 2.83Å; N506-T509 PolarHBondContact O-N 2.88Å; V507-T509 PolarHBondContact O-N 3.12Å; T509-C511 VanDerWaalsContact C-N 3.33Å; T509-C511 PolarHBondContact O-N 2.95Å; T509-L512 WeakPolarHBondContact O-CB 3.41Å; T509-L512 PolarHBondContact O-N 2.8Å; T509-L513 HydrophobicContact CG2-CD1 4.28Å; T509-L513 WeakPolarHBondContact O-CG 3.21Å; T509-L513 PolarHBondContact O-N 3.05Å |
| 510 | L | 92.7 | Very high | 87.6 | Confident | 35 Ų | 35 | 17.1 Ų | 17.1 | 18% | 0.183 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.8 | -43.5 | 174.5 | -72.6 | 172.8 | 0 | 0 | 0 | 111.9 | I264 M265 A268 N506 V507 L513 A514 | I264-L510 HydrophobicContact CG2-CD1 4.04Å; I264-L510 HydrophobicContact CG2-CD2 4.39Å; M265-L510 HydrophobicContact CE-CD1 4.38Å; M265-L510 HydrophobicContact CE-CD2 3.92Å; M265-L510 HydrophobicContact CE-CG 3.68Å; M265-L510 HydrophobicContact SD-CD2 3.83Å; M265-L510 HydrophobicContact SD-CG 4.22Å; A268-L510 HydrophobicContact CB-CD2 3.39Å; N506-L510 WeakPolarHBondContact O-CG 3.4Å; N506-L510 PolarHBondContact O-N 2.03Å; V507-L510 PolarHBondContact O-N 2.87Å; L510-L513 PolarHBondContact O-N 3.4Å; L510-A514 VanDerWaalsContact O-CB 3.31Å; L510-A514 WeakPolarHBondContact O-CB 3.42Å; L510-A514 PolarHBondContact O-N 3.05Å |
| 511 | C | 89.5 | Confident | 85.7 | Confident | 5 Ų | 5 | 23.2 Ų | 23.2 | 3% | 0.034 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.4 | -47 | 177.2 | -172.4 | 0 | 0 | 0 | 0 | 110.6 | L29 F458 V507 Y508 T509 A514 M515 | L29-C511 HydrophobicContact CD1-CB 3.98Å; F458-C511 HydrophobicContact CE1-CB 4.06Å; V507-C511 WeakPolarHBondContact O-CB 3.35Å; V507-C511 PolarHBondContact O-N 2.85Å; Y508-C511 WeakPolarHBondContact O-CB 3.33Å; Y508-C511 PolarHBondContact O-N 3.11Å; T509-C511 VanDerWaalsContact C-N 3.33Å; T509-C511 PolarHBondContact O-N 2.95Å; C511-A514 PolarHBondContact O-N 2.78Å; C511-M515 WeakPolarHBondContact O-CB 3.48Å; C511-M515 VanDerWaalsContact O-CG 3.3Å; C511-M515 WeakPolarHBondContact O-CG 3.48Å; C511-M515 PolarHBondContact O-N 3.35Å; C511-M515 PolarHBondContact SG-SD 3.31Å |
| 512 | L | 90.5 | Very high | 83.5 | Confident | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.5 | -49.7 | 176.3 | -83.2 | -178.7 | 0 | 0 | 0 | 112.7 | L290 L293 F334 L455 Y508 T509 A514 M515 Y516 | L290-L512 HydrophobicContact CD2-CB 3.87Å; L290-L512 HydrophobicContact CD2-CD1 4.09Å; L290-L512 HydrophobicContact CD2-CD2 4.32Å; L290-L512 HydrophobicContact CD2-CG 4.35Å; L293-L512 HydrophobicContact CD2-CD1 3.79Å; F334-L512 HydrophobicContact CD1-CD1 4.49Å; F334-L512 HydrophobicContact CE1-CD1 3.62Å; F334-L512 HydrophobicContact CZ-CD1 3.7Å; F334-L512 HydrophobicContact CZ-CD2 4.01Å; L455-L512 HydrophobicContact CD1-CD2 3.41Å; L455-L512 VanDerWaalsContact CD1-CD2 3.41Å; L455-L512 HydrophobicContact CD1-CG 4.21Å; L455-L512 HydrophobicContact CD2-CD2 3.78Å; L455-L512 HydrophobicContact CG-CD2 4.24Å; Y508-L512 HydrophobicContact CD1-CD1 3.82Å; Y508-L512 HydrophobicContact CD1-CG 4.48Å; Y508-L512 HydrophobicContact CE1-CD1 3.29Å; Y508-L512 HydrophobicContact CE1-CG 4.2Å; Y508-L512 WeakPolarHBondContact O-CB 3.47Å; Y508-L512 WeakPolarHBondContact O-CG 3.36Å; Y508-L512 PolarHBondContact O-N 3.27Å; T509-L512 WeakPolarHBondContact O-CB 3.41Å; T509-L512 PolarHBondContact O-N 2.8Å; L512-A514 VanDerWaalsContact C-N 3.34Å; L512-A514 PolarHBondContact O-N 3.16Å; L512-M515 PolarHBondContact O-N 2.71Å; L512-Y516 HydrophobicContact CD2-CD2 3.86Å; L512-Y516 HydrophobicContact CD2-CE2 3.74Å; L512-Y516 WeakPolarHBondContact O-CB 3.48Å; L512-Y516 WeakPolarHBondContact O-CD2 3.48Å; L512-Y516 PolarHBondContact O-N 2.71Å |
| 513 | L | 91.1 | Very high | 81.1 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.5 | -44.1 | 177.7 | -69.4 | 173.4 | 0 | 0 | 0 | 111.4 | M265 A268 V269 Y272 T509 L510 A517 | M265-L513 HydrophobicContact SD-CD1 4.27Å; A268-L513 HydrophobicContact CB-CD1 4.24Å; V269-L513 HydrophobicContact CG2-CD1 3.95Å; Y272-L513 HydrophobicContact CD1-CD2 3.82Å; Y272-L513 HydrophobicContact CD2-CB 4.45Å; Y272-L513 HydrophobicContact CD2-CD2 4.13Å; Y272-L513 WeakPolarHBondContact CD2-O 3.31Å; Y272-L513 HydrophobicContact CE1-CD2 4.2Å; Y272-L513 HydrophobicContact CE2-CD2 4.5Å; Y272-L513 HydrophobicContact CG-CD2 3.79Å; T509-L513 HydrophobicContact CG2-CD1 4.28Å; T509-L513 WeakPolarHBondContact O-CG 3.21Å; T509-L513 PolarHBondContact O-N 3.05Å; L510-L513 PolarHBondContact O-N 3.4Å; L513-A517 WeakPolarHBondContact O-CB 3.2Å; L513-A517 PolarHBondContact O-N 3.07Å; L513-A517 VanDerWaalsContact O-N 3.16Å |
| 514 | A | 86.3 | Confident | 78.1 | Confident | 37 Ų | 37 | 38.1 Ų | 38.1 | 31% | 0.306 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -68.7 | -43.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L510 C511 L512 | L510-A514 VanDerWaalsContact O-CB 3.31Å; L510-A514 WeakPolarHBondContact O-CB 3.42Å; L510-A514 PolarHBondContact O-N 3.05Å; C511-A514 PolarHBondContact O-N 2.78Å; L512-A514 VanDerWaalsContact C-N 3.34Å; L512-A514 PolarHBondContact O-N 3.16Å |
| 515 | M | 82.5 | Confident | 75.2 | Confident | 6 Ų | 6 | 45.3 Ų | 45.3 | 3% | 0.03 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -72.5 | -39.9 | -176.3 | -79.1 | -174 | 82.8 | 0 | 0 | 112.5 | S12 V14 F26 F454 C511 L512 | S12-M515 PolarHBondContact OG-O 3.5Å; V14-M515 HydrophobicContact CB-CE 4.43Å; V14-M515 HydrophobicContact CG1-CE 4.17Å; V14-M515 HydrophobicContact CG2-CB 3.33Å; V14-M515 HydrophobicContact CG2-CE 3.32Å; V14-M515 HydrophobicContact CG2-CG 3.59Å; V14-M515 VanDerWaalsContact CG2-O 3.26Å; V14-M515 WeakPolarHBondContact CG2-O 3.45Å; V14-M515 HydrophobicContact CG2-SD 4.24Å; V14-M515 PolarHBondContact N-O 3.36Å; F26-M515 HydrophobicContact CZ-CE 4.39Å; F454-M515 HydrophobicContact CD1-CE 3.36Å; F454-M515 HydrophobicContact CD1-SD 4Å; F454-M515 HydrophobicContact CE1-CE 3.32Å; F454-M515 HydrophobicContact CE1-SD 3.35Å; F454-M515 WeakPolarHBondContact CE1-SD 3.35Å; F454-M515 HydrophobicContact CG-CE 4.09Å; F454-M515 HydrophobicContact CZ-CE 4.04Å; F454-M515 HydrophobicContact CZ-SD 3.99Å; C511-M515 WeakPolarHBondContact O-CB 3.48Å; C511-M515 VanDerWaalsContact O-CG 3.3Å; C511-M515 WeakPolarHBondContact O-CG 3.48Å; C511-M515 PolarHBondContact O-N 3.35Å; C511-M515 PolarHBondContact SG-SD 3.31Å; L512-M515 PolarHBondContact O-N 2.71Å |
| 516 | Y | 83.9 | Confident | 72.1 | Confident | 19 Ų | 19 | 48.7 Ų | 48.7 | 8% | 0.075 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -92.9 | 5 | -178.4 | -71.6 | -96.4 | 0 | 0 | 0 | 113.4 | L286 L290 F338 L455 L512 | L286-Y516 HydrophobicContact CD2-CD1 4.17Å; L286-Y516 HydrophobicContact CD2-CE1 4.24Å; L290-Y516 HydrophobicContact CD1-CD1 4.33Å; L290-Y516 HydrophobicContact CD1-CG 3.85Å; F338-Y516 AromaticContact CE2-CE1 3.85Å; F338-Y516 HydrophobicContact CE2-CE1 3.85Å; F338-Y516 AromaticContact CE2-CZ 3.68Å; F338-Y516 WeakPolarHBondContact CE2-OH 3.18Å; F338-Y516 VanDerWaalsContact CZ-OH 3.31Å; F338-Y516 WeakPolarHBondContact CZ-OH 3.32Å; L455-Y516 HydrophobicContact CD2-CE2 4.46Å; L512-Y516 HydrophobicContact CD2-CD2 3.86Å; L512-Y516 HydrophobicContact CD2-CE2 3.74Å; L512-Y516 WeakPolarHBondContact O-CB 3.48Å; L512-Y516 WeakPolarHBondContact O-CD2 3.48Å; L512-Y516 PolarHBondContact O-N 2.71Å |
| 517 | A | 83.3 | Confident | 69 | Low | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -63.9 | 140 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S12 I13 W271 Y272 L513 S519 | S12-A517 WeakPolarHBondContact CA-O 3.43Å; S12-A517 WeakPolarHBondContact CB-O 3.47Å; I13-A517 HydrophobicContact CD1-CB 3.9Å; I13-A517 HydrophobicContact CG1-CB 4.43Å; I13-A517 PolarHBondContact N-O 3.14Å; W271-A517 HydrophobicContact CH2-CB 3.29Å; W271-A517 HydrophobicContact CZ2-CB 4.26Å; W271-A517 HydrophobicContact CZ3-CB 3.52Å; Y272-A517 HydrophobicContact CD2-CB 4.03Å; Y272-A517 HydrophobicContact CE2-CB 4.24Å; L513-A517 WeakPolarHBondContact O-CB 3.2Å; L513-A517 PolarHBondContact O-N 3.07Å; L513-A517 VanDerWaalsContact O-N 3.16Å; A517-S519 PolarHBondContact O-N 3.47Å |
| 518 | P | 74.6 | Confident | 66 | Low | 9 Ų | 9 | 61.6 Ų | 61.6 | 6% | 0.058 | 33% | 0.332 | C | S | . | . | B | Isolated β-bridge | trans | -58.8 | 133.1 | 171.9 | -21.6 | 30.2 | 0 | 0 | 0 | 111.9 | R275 L276 L279 | R275-P518 WeakPolarHBondContact CD-O 3.42Å; R275-P518 PolarHBondContact NH1-O 3.13Å; L276-P518 HydrophobicContact CD2-CG 4.06Å; L279-P518 HydrophobicContact CD1-CB 3.99Å; L279-P518 HydrophobicContact CD1-CG 3.57Å; L279-P518 HydrophobicContact CD2-CB 3.97Å; L279-P518 HydrophobicContact CD2-CG 4.45Å; L279-P518 HydrophobicContact CG-CB 4.3Å; L279-P518 HydrophobicContact CG-CG 4.24Å |
| 519 | S | 69.6 | Low | 62.9 | Low | 16 Ų | 16 | 64.9 Ų | 64.9 | 11% | 0.112 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -86.4 | 147 | 176.1 | -174.2 | 0 | 0 | 0 | 0 | 111.5 | G11 N16 A517 K521 | G11-S519 WeakPolarHBondContact O-CA 3.35Å; G11-S519 WeakPolarHBondContact O-CB 3.14Å; G11-S519 PolarHBondContact O-N 3.11Å; N16-S519 VanDerWaalsContact ND2-CB 3.32Å; N16-S519 WeakPolarHBondContact ND2-CB 3.4Å; N16-S519 PolarHBondContact ND2-OG 3.31Å; A517-S519 PolarHBondContact O-N 3.47Å; S519-K521 PolarHBondContact O-N 3.22Å; S519-K521 PolarHBondContact OG-N 3.34Å |
| 520 | H | 58.2 | Low | 59.8 | Low | 142 Ų | 142 | 74.2 Ų | 74.2 | 66% | 0.657 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -76.5 | -10.1 | 171.1 | -69.1 | -70.7 | 0 | 0 | 0 | 113.4 | R275 K522 | R275-H520 PolarHBondContact NE-NE2 2.62Å; R275-H520 PolarHBondContact NH1-CD2 2.91Å; R275-H520 PolarHBondContact NH2-CD2 3.29Å; R275-H520 VanDerWaalsContact NH2-CD2 3.26Å; R275-H520 PolarHBondContact NH2-NE2 2.96Å; H520-K522 PolarHBondContact O-N 2.83Å |
| 521 | K | 53.5 | Low | 56.8 | Low | 128 Ų | 128 | 78.5 Ų | 78.5 | 56% | 0.557 | 44% | 0.437 | S | S | * | . | trans | -78.2 | 107.1 | 178.7 | -69 | -173.3 | 178.1 | -175 | 0 | 109.8 | N16 S519 | N16-K521 HydrophobicContact CB-CD 4.27Å; S519-K521 PolarHBondContact O-N 3.22Å; S519-K521 PolarHBondContact OG-N 3.34Å | ||
| 522 | K | 46.7 | Very low | 54 | Low | 171 Ų | 171 | 87 Ų | 87 | 74% | 0.743 | 47% | 0.473 | S | S | * | . | trans | -65.7 | 142 | 163.8 | -64.2 | -178.5 | 179.7 | -179.7 | 0 | 108.3 | H520 S524 | H520-K522 PolarHBondContact O-N 2.83Å; K522-S524 PolarHBondContact O-N 3Å | ||
| 523 | Y | 42.3 | Very low | 51 | Low | 101 Ų | 101 | 98.9 Ų | 98.9 | 40% | 0.396 | 52% | 0.518 | S | S | . | . | trans | -54.8 | 113.5 | 163.7 | -81.3 | -89 | 0 | 0 | 0 | 106.6 | E15 D525 | E15-Y523 PolarHBondContact OE2-OH 3.34Å; Y523-D525 PolarHBondContact O-N 2.93Å | ||
| 524 | S | 31.5 | Very low | 48.3 | Very low | 89 Ų | 89 | 105.3 Ų | 105.3 | 62% | 0.622 | 55% | 0.55 | S | S | * | * | trans | -62.9 | 121.3 | 173.7 | 51.7 | 0 | 0 | 0 | 0 | 107.2 | K522 S526 | K522-S524 PolarHBondContact O-N 3Å; S524-S526 VanDerWaalsContact C-N 3.26Å; S524-S526 PolarHBondContact O-N 2.79Å; S524-S526 PolarHBondContact O-OG 3.49Å | ||
| 525 | D | 33.5 | Very low | 45.6 | Very low | 157 Ų | 157 | 108.3 Ų | 108.3 | 84% | 0.84 | 57% | 0.569 | S | S | * | * | trans | -44.9 | 96.1 | 163 | -87.8 | -38.4 | 0 | 0 | 0 | 108.9 | Y523 | Y523-D525 PolarHBondContact O-N 2.93Š| ||
| 526 | S | 28.6 | Very low | 43.3 | Very low | 94 Ų | 94 | 115.4 Ų | 115.4 | 66% | 0.657 | 61% | 0.607 | S | S | * | * | trans | -133.2 | 61.8 | 177.9 | 43.4 | 0 | 0 | 0 | 0 | 105.9 | S524 | S524-S526 VanDerWaalsContact C-N 3.26Å; S524-S526 PolarHBondContact O-N 2.79Å; S524-S526 PolarHBondContact O-OG 3.49Å | ||
| 527 | S | 30.7 | Very low | 40.9 | Very low | 119 Ų | 119 | 123.7 Ų | 123.7 | 83% | 0.832 | 65% | 0.647 | S | S | * | * | S | Bend | trans | 175.6 | -3.8 | 153 | 40.5 | 0 | 0 | 0 | 0 | 116.4 | G529 | S527-G529 PolarHBondContact O-N 3.36Š|
| 528 | L | 29.9 | Very low | 38.5 | Very low | 159 Ų | 159 | 127 Ų | 127 | 83% | 0.832 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -82.1 | 107.3 | 164.9 | -107.8 | 78.1 | 0 | 0 | 0 | 109.4 | K530 | L528-K530 PolarHBondContact O-N 2.74Š|
| 529 | G | 28.2 | Very low | 36.6 | Very low | 70 Ų | 70 | 135.7 Ų | 135.7 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | trans | -50.8 | 126.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S527 | S527-G529 PolarHBondContact O-N 3.36Š| ||
| 530 | K | 28.4 | Very low | 34.8 | Very low | 196 Ų | 196 | 143.6 Ų | 143.6 | 85% | 0.852 | 76% | 0.756 | S | S | * | * | trans | -49 | 128.9 | 159.8 | -72.8 | 179.8 | 175.5 | -179.4 | 0 | 107.7 | L528 K532 | L528-K530 PolarHBondContact O-N 2.74Å; K530-K532 PolarHBondContact O-N 3.1Å | ||
| 531 | P | 30.3 | Very low | 33.7 | Very low | 126 Ų | 126 | 144.9 Ų | 144.9 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -66.2 | 110.5 | 170.8 | 27.7 | -29.2 | 0 | 0 | 0 | 106.4 | R533 | P531-R533 PolarHBondContact O-N 3.44Š| ||
| 532 | K | 30.4 | Very low | 32.5 | Very low | 184 Ų | 184 | 142.5 Ų | 142.5 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | trans | -60.5 | 108.6 | 161 | -92.8 | -177.1 | 173.5 | -179.7 | 0 | 105.5 | K530 I534 | K530-K532 PolarHBondContact O-N 3.1Å; K532-I534 VanDerWaalsContact C-N 3.31Å; K532-I534 HydrophobicContact CB-CG1 4.47Å; K532-I534 PolarHBondContact O-N 3.21Å | ||
| 533 | R | 28.4 | Very low | 31.9 | Very low | 253 Ų | 253 | 143 Ų | 143 | 96% | 0.955 | 79% | 0.785 | S | S | * | * | trans | -53.5 | 101 | 158.3 | -87 | -177.2 | 175.5 | 177.9 | -2.4 | 107.2 | P531 | P531-R533 PolarHBondContact O-N 3.44Š| ||
| 534 | I | 33.6 | Very low | 31.3 | Very low | 135 Ų | 135 | 148.1 Ų | 148.1 | 69% | 0.692 | 81% | 0.812 | S | S | * | * | trans | -123.9 | 109.5 | 158.4 | -64.7 | 177.2 | 0 | 0 | 0 | 104.3 | K532 N536 | K532-I534 VanDerWaalsContact C-N 3.31Å; K532-I534 HydrophobicContact CB-CG1 4.47Å; K532-I534 PolarHBondContact O-N 3.21Å; I534-N536 PolarHBondContact O-N 3.23Å | ||
| 535 | S | 29.8 | Very low | 31.4 | Very low | 101 Ų | 101 | 153 Ų | 153 | 71% | 0.706 | 83% | 0.825 | S | S | * | * | trans | -36.2 | 121.6 | 160.7 | 43.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 536 | N | 34.9 | Very low | 31.3 | Very low | 154 Ų | 154 | 152 Ų | 152 | 82% | 0.824 | 82% | 0.82 | S | S | * | * | -166.3 | 146.4 | 125 | -97.7 | -0.8 | 0 | 0 | 0 | 110.4 | I534 | I534-N536 PolarHBondContact O-N 3.23Š| |||
| 537 | E | 32.9 | Very low | 31.3 | Very low | 193 Ų | 193 | 154 Ų | 154 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | trans | -56.5 | 149.3 | -175.1 | -62.2 | 153 | 158.9 | 0 | 0 | 113.2 | ||||
| 538 | G | 33.3 | Very low | 31.3 | Very low | 70 Ų | 70 | 151.5 Ų | 151.5 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | trans | 144.5 | 91.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 539 | E | 34.1 | Very low | 31.3 | Very low | 192 Ų | 192 | 151.5 Ų | 151.5 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | trans | 60.6 | 111.8 | 142.4 | -73 | 168.7 | 156.4 | 0 | 0 | 121.5 | ||||
| 540 | E | 32 | Very low | 31.6 | Very low | 181 Ų | 181 | 154.2 Ų | 154.2 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | 6.3 | 120.3 | 137 | -62.3 | 177 | 164.1 | 0 | 0 | 118 | ||||
| 541 | D | 34.5 | Very low | 31.9 | Very low | 169 Ų | 169 | 150 Ų | 150 | 90% | 0.904 | 79% | 0.789 | S | S | * | * | -166.5 | 128.1 | 123.1 | -89.3 | -29.2 | 0 | 0 | 0 | 109.6 | |||||
| 542 | G | 28 | Very low | 32.3 | Very low | 78 Ų | 78 | 147.9 Ų | 147.9 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -95.4 | 125.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 543 | E | 34.9 | Very low | 32.4 | Very low | 183 Ų | 183 | 144.6 Ų | 144.6 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | trans | -133.2 | 120.1 | 162 | -74.9 | -172.2 | 155.7 | 0 | 0 | 110 | E545 | E543-E545 PolarHBondContact O-N 2.98Š| ||
| 544 | E | 29.3 | Very low | 32.9 | Very low | 208 Ų | 208 | 137.5 Ų | 137.5 | 97% | 0.972 | 74% | 0.74 | S | S | * | * | trans | -72.6 | 101.2 | 171.4 | -70.6 | -179.8 | 139.4 | 0 | 0 | 109.2 | ||||
| 545 | E | 33.9 | Very low | 33.1 | Very low | 191 Ų | 191 | 134.1 Ų | 134.1 | 89% | 0.893 | 73% | 0.729 | S | S | * | * | trans | -87.8 | 129.8 | 173.7 | -95.7 | -169.8 | 161 | 0 | 0 | 113.5 | E543 | E543-E545 PolarHBondContact O-N 2.98Š| ||
| 546 | D | 31.7 | Very low | 33.3 | Very low | 137 Ų | 137 | 132.1 Ų | 132.1 | 73% | 0.733 | 72% | 0.718 | S | S | * | * | trans | -64.2 | 137.2 | -168.8 | -118.3 | -30.9 | 0 | 0 | 0 | 115.6 | S548 | D546-S548 VanDerWaalsContact C-N 3.3Å; D546-S548 PolarHBondContact O-N 3.42Å; D546-S548 VanDerWaalsContact O-N 3.15Å | ||
| 547 | Q | 28.9 | Very low | 33.4 | Very low | 136 Ų | 136 | 128.6 Ų | 128.6 | 64% | 0.636 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | 29.6 | -174.2 | -118.1 | 172.8 | 26.2 | 0 | 0 | 114.7 | ||
| 548 | S | 29.9 | Very low | 33.8 | Very low | 66 Ų | 66 | 122.3 Ų | 122.3 | 46% | 0.462 | 67% | 0.673 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.5 | 0.3 | -170.4 | 68.2 | 0 | 0 | 0 | 0 | 116.1 | D546 V550 | D546-S548 VanDerWaalsContact C-N 3.3Å; D546-S548 PolarHBondContact O-N 3.42Å; D546-S548 VanDerWaalsContact O-N 3.15Å; S548-V550 PolarHBondContact O-N 3Å |
| 549 | Y | 30.6 | Very low | 34 | Very low | 159 Ų | 159 | 122.8 Ų | 122.8 | 62% | 0.624 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -8.2 | -164.3 | -97.7 | -94.1 | 0 | 0 | 0 | 118 | E553 | Y549-E553 WeakPolarHBondContact O-CG 3.4Š|
| 550 | V | 34.9 | Very low | 34.2 | Very low | 126 Ų | 126 | 120.6 Ų | 120.6 | 76% | 0.764 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -13.4 | -170 | -175.6 | 0 | 0 | 0 | 0 | 113.8 | S548 | S548-V550 PolarHBondContact O-N 3Š|
| 551 | S | 34.4 | Very low | 34.7 | Very low | 109 Ų | 109 | 115.5 Ų | 115.5 | 76% | 0.762 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -99.4 | -1.9 | -179.7 | 49.7 | 0 | 0 | 0 | 0 | 115 | ||
| 552 | T | 37.2 | Very low | 34.6 | Very low | 81 Ų | 81 | 115.6 Ų | 115.6 | 50% | 0.497 | 65% | 0.646 | S | S | . | * | S | Bend | trans | -124.5 | -8.7 | -166.6 | -30.8 | 0 | 0 | 0 | 0 | 113.9 | M554 S555 | T552-M554 PolarHBondContact O-N 3.5Å; T552-S555 PolarHBondContact O-N 3.48Å |
| 553 | E | 32.9 | Very low | 35 | Very low | 115 Ų | 115 | 116.5 Ų | 116.5 | 54% | 0.537 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.6 | -13.6 | -168.7 | -84.4 | -168.4 | 161.1 | 0 | 0 | 116.5 | Y549 L557 | Y549-E553 WeakPolarHBondContact O-CG 3.4Å; E553-L557 WeakPolarHBondContact O-CD1 3.39Å |
| 554 | M | 39.2 | Very low | 34.8 | Very low | 103 Ų | 103 | 112.3 Ų | 112.3 | 51% | 0.507 | 63% | 0.634 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.5 | -19.2 | 170.2 | -82 | -167.8 | -81.9 | 0 | 0 | 112.1 | E346 T552 T558 | E346-M554 HydrophobicContact CG-CB 4.21Å; E346-M554 WeakPolarHBondContact OE1-CB 3.4Å; E346-M554 WeakPolarHBondContact OE2-CB 3.37Å; T552-M554 PolarHBondContact O-N 3.5Å; M554-T558 PolarHBondContact O-OG1 3.03Å |
| 555 | S | 37.3 | Very low | 35.1 | Very low | 65 Ų | 65 | 111.1 Ų | 111.1 | 46% | 0.455 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -80.5 | -31.9 | -179.5 | -66 | 0 | 0 | 0 | 0 | 112 | E346 T552 L557 | E346-S555 WeakPolarHBondContact OE2-CA 3.19Å; E346-S555 WeakPolarHBondContact OE2-CB 3.15Å; E346-S555 PolarHBondContact OE2-N 3.2Å; E346-S555 PolarHBondContact OE2-OG 2.86Å; T552-S555 PolarHBondContact O-N 3.48Å; S555-L557 VanDerWaalsContact C-N 3.29Å; S555-L557 PolarHBondContact O-N 2.95Å |
| 556 | A | 34.2 | Very low | 34.9 | Very low | 58 Ų | 58 | 113.2 Ų | 113.2 | 48% | 0.479 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -70.4 | -22.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 557 | L | 36.6 | Very low | 35.1 | Very low | 80 Ų | 80 | 112.1 Ų | 112.1 | 42% | 0.419 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -93.5 | -17.7 | -173.7 | -77.1 | 164.1 | 0 | 0 | 0 | 114.2 | E553 S555 A561 | E553-L557 WeakPolarHBondContact O-CD1 3.39Å; S555-L557 VanDerWaalsContact C-N 3.29Å; S555-L557 PolarHBondContact O-N 2.95Å; L557-A561 PolarHBondContact O-N 3.05Å |
| 558 | T | 42.3 | Very low | 35.4 | Very low | 61 Ų | 61 | 110.8 Ų | 110.8 | 37% | 0.374 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -81.5 | -28 | 171.1 | -43.9 | 0 | 0 | 0 | 0 | 110.8 | M554 L560 A561 | M554-T558 PolarHBondContact O-OG1 3.03Å; T558-L560 VanDerWaalsContact C-N 3.31Å; T558-L560 PolarHBondContact O-N 3.27Å; T558-A561 PolarHBondContact O-N 3.1Å |
| 559 | A | 37.9 | Very low | 35.7 | Very low | 80 Ų | 80 | 113.3 Ų | 113.3 | 66% | 0.661 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -68.2 | -28 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 560 | L | 38.5 | Very low | 36 | Very low | 147 Ų | 147 | 110.6 Ų | 110.6 | 77% | 0.77 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -9.4 | 178.9 | -98.8 | 154.6 | 0 | 0 | 0 | 114.5 | T558 | T558-L560 VanDerWaalsContact C-N 3.31Å; T558-L560 PolarHBondContact O-N 3.27Å |
| 561 | A | 40.7 | Very low | 36 | Very low | 74 Ų | 74 | 109.6 Ų | 109.6 | 61% | 0.612 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -103.2 | 5.2 | 180 | 0 | 0 | 0 | 0 | 0 | 113.7 | L557 T558 P563 | L557-A561 PolarHBondContact O-N 3.05Å; T558-A561 PolarHBondContact O-N 3.1Å; A561-P563 WeakPolarHBondContact O-CD 3.4Å |
| 562 | K | 32.9 | Very low | 36.2 | Very low | 171 Ų | 171 | 109.7 Ų | 109.7 | 74% | 0.743 | 64% | 0.635 | S | S | * | * | trans | -81.9 | 107.7 | 171.6 | -159.9 | 178.5 | -175.9 | -172.4 | 0 | 108.3 | A564 | K562-A564 PolarHBondContact O-N 3.03Š| ||
| 563 | P | 37 | Very low | 36.1 | Very low | 96 Ų | 96 | 111.7 Ų | 111.7 | 62% | 0.623 | 65% | 0.645 | S | S | * | * | trans | -63.7 | 127.3 | 163.6 | 27.8 | -30.6 | 0 | 0 | 0 | 107.1 | A561 F565 | A561-P563 WeakPolarHBondContact O-CD 3.4Å; P563-F565 HydrophobicContact CB-CD2 4.44Å; P563-F565 PolarHBondContact O-N 3.42Å | ||
| 564 | A | 29.8 | Very low | 36.3 | Very low | 96 Ų | 96 | 111.5 Ų | 111.5 | 79% | 0.793 | 65% | 0.654 | S | S | * | * | trans | -61.2 | 100.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | K562 | K562-A564 PolarHBondContact O-N 3.03Š| ||
| 565 | F | 35.6 | Very low | 36.1 | Very low | 183 Ų | 183 | 112.2 Ų | 112.2 | 80% | 0.803 | 67% | 0.666 | S | S | * | * | trans | -140.9 | 103.3 | 155.1 | -79.3 | -76.2 | 0 | 0 | 0 | 104.8 | P563 | P563-F565 HydrophobicContact CB-CD2 4.44Å; P563-F565 PolarHBondContact O-N 3.42Å | ||
| 566 | D | 30.3 | Very low | 36 | Very low | 235 Ų | 235 | 116.5 Ų | 116.5 | 100% | 1.257 | 69% | 0.685 | S | S | * | * | trans | 27.8 | 0 | 168.9 | -58.3 | -24.4 | 0 | 0 | 0 | 119.9 |
Retrieved 566 of 566 residues in 171.3 ms
(Link to these results)