| 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 | 32.2 | Very low | 45.5 | Very low | 245 Ų | 245 | 121.3 Ų | 121.3 | 100% | 1.207 | 65% | 0.648 | S | S | * | * | 0 | 110.3 | 0 | -74.1 | 162.1 | 171.3 | 0 | 0 | 106.6 | |||||
| 2 | A | 32.1 | Very low | 47 | Very low | 85 Ų | 85 | 119 Ų | 119 | 70% | 0.702 | 65% | 0.648 | S | S | * | * | trans | -73.9 | 132.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 3 | N | 31.1 | Very low | 48.9 | Very low | 146 Ų | 146 | 115.5 Ų | 115.5 | 78% | 0.781 | 63% | 0.629 | S | S | * | * | trans | -107.4 | 66.8 | 176.3 | -159.6 | 47.1 | 0 | 0 | 0 | 108.6 | T5 | N3-T5 VanDerWaalsContact C-N 3.27Å; N3-T5 PolarHBondContact ND2-OG1 3.48Å; N3-T5 PolarHBondContact O-N 3.24Å; N3-T5 PolarHBondContact O-OG1 2.99Å | ||
| 4 | D | 36.8 | Very low | 50.1 | Low | 141 Ų | 141 | 113.6 Ų | 113.6 | 75% | 0.754 | 62% | 0.617 | S | S | * | * | trans | -65.8 | 87.7 | 176.9 | -68 | -42.6 | 0 | 0 | 0 | 109.3 | E6 | D4-E6 VanDerWaalsContact C-N 3.25Å; D4-E6 PolarHBondContact O-N 3.18Å | ||
| 5 | T | 35.9 | Very low | 51.3 | Low | 97 Ų | 97 | 114.2 Ų | 114.2 | 60% | 0.595 | 61% | 0.614 | S | S | * | * | trans | -96.7 | 55.7 | 172.7 | -40.4 | 0 | 0 | 0 | 0 | 108.4 | N3 K7 | N3-T5 VanDerWaalsContact C-N 3.27Å; N3-T5 PolarHBondContact ND2-OG1 3.48Å; N3-T5 PolarHBondContact O-N 3.24Å; N3-T5 PolarHBondContact O-OG1 2.99Å; T5-K7 PolarHBondContact O-N 3.12Å | ||
| 6 | E | 40.6 | Very low | 52.4 | Low | 175 Ų | 175 | 107.8 Ų | 107.8 | 82% | 0.818 | 58% | 0.579 | S | S | * | * | trans | -74 | 75.5 | 177.1 | -166.7 | 172.1 | -174.6 | 0 | 0 | 109.2 | D4 | D4-E6 VanDerWaalsContact C-N 3.25Å; D4-E6 PolarHBondContact O-N 3.18Å | ||
| 7 | K | 44.2 | Very low | 52.8 | Low | 180 Ų | 180 | 109.2 Ų | 109.2 | 78% | 0.783 | 59% | 0.587 | S | S | * | * | trans | -142.7 | 57.7 | 176.9 | -82.5 | -167.5 | 173.7 | -176.2 | 0 | 110.8 | T5 P9 | T5-K7 PolarHBondContact O-N 3.12Å; K7-P9 WeakPolarHBondContact O-CD 3.23Å | ||
| 8 | D | 53.1 | Low | 53.3 | Low | 131 Ų | 131 | 112.6 Ų | 112.6 | 70% | 0.701 | 60% | 0.604 | S | S | * | * | trans | -109.1 | 69 | 173.3 | -75.1 | -25 | 0 | 0 | 0 | 112 | C10 | D8-C10 VanDerWaalsContact C-N 3.32Å; D8-C10 PolarHBondContact O-N 3.48Å | ||
| 9 | P | 62.7 | Low | 53.7 | Low | 67 Ų | 67 | 108 Ų | 108 | 44% | 0.435 | 59% | 0.587 | S | S | . | * | trans | -73.1 | 88.8 | 171.1 | 32.4 | -33.4 | 0 | 0 | 0 | 109.6 | K7 H11 S12 | K7-P9 WeakPolarHBondContact O-CD 3.23Å; P9-H11 PolarHBondContact O-N 3.26Å; P9-S12 PolarHBondContact O-N 2.91Å | ||
| 10 | C | 66.7 | Low | 54.7 | Low | 18 Ų | 18 | 107.1 Ų | 107.1 | 12% | 0.122 | 58% | 0.581 | C | S | . | * | G | 310 helix | trans | -52.1 | -17.9 | 169.8 | -65.9 | 0 | 0 | 0 | 0 | 113.3 | D8 S12 N13 Q173 C175 | D8-C10 VanDerWaalsContact C-N 3.32Å; D8-C10 PolarHBondContact O-N 3.48Å; C10-S12 PolarHBondContact O-N 3Å; C10-S12 VanDerWaalsContact O-N 3.14Å; C10-N13 PolarHBondContact O-N 2.93Å; C10-N13 VanDerWaalsContact O-N 3.15Å; C10-Q173 PolarHBondContact O-NE2 3.11Å; C10-C175 HydrophobicContact CB-CB 3.85Å; C10-C175 WeakPolarHBondContact CB-SG 3.18Å; C10-C175 WeakPolarHBondContact SG-CB 3.31Å; C10-C175 CovalentContact SG-SG 2.03Å; C10-C175 PolarHBondContact SG-SG 3.26Å |
| 11 | H | 65.3 | Low | 56 | Low | 49 Ų | 49 | 104.6 Ų | 104.6 | 23% | 0.227 | 57% | 0.571 | C | S | . | * | G | 310 helix | trans | -48 | -30.3 | 170.6 | -59.5 | -81.2 | 0 | 0 | 0 | 113.7 | P9 Q173 H287 | P9-H11 PolarHBondContact O-N 3.26Å; H11-Q173 PolarHBondContact CE1-O 3.1Å; H11-Q173 PolarHBondContact ND1-O 3.5Å; H11-Q173 VanDerWaalsContact ND1-O 3.08Å; H11-H287 AromaticContact NE2-CE1 3.67Å |
| 12 | S | 63.3 | Low | 58.4 | Low | 94 Ų | 94 | 101.7 Ų | 101.7 | 66% | 0.657 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -110.2 | 2 | -179.6 | -52.8 | 0 | 0 | 0 | 0 | 114.6 | P9 C10 | P9-S12 PolarHBondContact O-N 2.91Å; C10-S12 PolarHBondContact O-N 3Å; C10-S12 VanDerWaalsContact O-N 3.14Å |
| 13 | N | 71.4 | Confident | 60.8 | Low | 73 Ų | 73 | 102.4 Ų | 102.4 | 39% | 0.39 | 54% | 0.537 | S | S | . | . | trans | -76.4 | 133.1 | -178.7 | -76.7 | -11.6 | 0 | 0 | 0 | 111.5 | C10 T89 Q173 | C10-N13 PolarHBondContact O-N 2.93Å; C10-N13 VanDerWaalsContact O-N 3.15Å; N13-T89 WeakPolarHBondContact O-CB 3.33Å; N13-T89 WeakPolarHBondContact O-CG2 3.27Å; N13-T89 PolarHBondContact O-OG1 2.91Å; N13-Q173 PolarHBondContact O-NE2 2.9Å | ||
| 14 | L | 66.4 | Low | 63.2 | Low | 90 Ų | 90 | 95.9 Ų | 95.9 | 47% | 0.471 | 50% | 0.503 | S | S | . | . | trans | -96.2 | -16.7 | 179.9 | -62.2 | 173.4 | 0 | 0 | 0 | 113.2 | T89 S92 | L14-T89 WeakPolarHBondContact CA-OG1 3.46Å; L14-T89 PolarHBondContact O-N 3.49Å; L14-T89 PolarHBondContact O-OG1 2.92Å; L14-S92 WeakPolarHBondContact O-CB 3.48Å | ||
| 15 | H | 67.4 | Low | 65.5 | Low | 122 Ų | 122 | 90.8 Ų | 90.8 | 57% | 0.565 | 48% | 0.481 | S | S | * | . | B | Isolated β-bridge | trans | -122.3 | 155.1 | 179.9 | -65.2 | -63.4 | 0 | 0 | 0 | 112.3 | N87 | H15-N87 WeakPolarHBondContact CA-O 3.49Å; H15-N87 PolarHBondContact ND1-O 3.43Å |
| 16 | I | 70.1 | Confident | 68 | Low | 11 Ų | 11 | 91.8 Ų | 91.8 | 6% | 0.056 | 48% | 0.481 | C | S | . | . | trans | -98.3 | 109 | 179.4 | -55.9 | 167.6 | 0 | 0 | 0 | 109.7 | N18 A83 Y84 N87 T88 T89 P176 T178 | I16-N18 PolarHBondContact O-N 2.98Å; I16-A83 VanDerWaalsContact CD1-C 3.48Å; I16-A83 HydrophobicContact CD1-CB 4.1Å; I16-A83 VanDerWaalsContact CD1-O 3.25Å; I16-A83 WeakPolarHBondContact CD1-O 3.4Å; I16-Y84 HydrophobicContact CD1-CD1 4.21Å; I16-Y84 HydrophobicContact CG2-CD1 4.39Å; I16-Y84 HydrophobicContact CG2-CE1 4.21Å; I16-N87 PolarHBondContact N-O 3.42Å; I16-T88 WeakPolarHBondContact CD1-O 3.45Å; I16-T89 HydrophobicContact CG1-CG2 4.12Å; I16-P176 HydrophobicContact CG2-CB 4.36Å; I16-T178 HydrophobicContact CD1-CG2 3.38Å; I16-T178 HydrophobicContact CG1-CG2 4.05Å | ||
| 17 | D | 59.3 | Low | 70.1 | Confident | 133 Ų | 133 | 84.8 Ų | 84.8 | 71% | 0.711 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | 119.2 | 171.3 | -73.5 | -38.5 | 0 | 0 | 0 | 111.4 | G19 | D17-G19 VanDerWaalsContact C-N 3.35Å; D17-G19 PolarHBondContact O-N 3.43Å |
| 18 | N | 60.4 | Low | 72.1 | Confident | 169 Ų | 169 | 78.8 Ų | 78.8 | 90% | 0.904 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 42.8 | 172.7 | -68.6 | -42.4 | 0 | 0 | 0 | 115.7 | I16 | I16-N18 PolarHBondContact O-N 2.98Š|
| 19 | G | 61.5 | Low | 73.8 | Confident | 26 Ų | 26 | 75.3 Ų | 75.3 | 27% | 0.268 | 41% | 0.409 | S | S | . | . | trans | -68.5 | 128.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114 | D17 P21 | D17-G19 VanDerWaalsContact C-N 3.35Å; D17-G19 PolarHBondContact O-N 3.43Å; G19-P21 WeakPolarHBondContact O-CD 3.35Å | ||
| 20 | N | 73.9 | Confident | 75 | Confident | 89 Ų | 89 | 73.4 Ų | 73.4 | 48% | 0.476 | 40% | 0.399 | S | S | . | . | trans | -104.4 | 103.4 | 174.1 | -173.9 | -5.9 | 0 | 0 | 0 | 111.3 | R22 | N20-R22 PolarHBondContact O-N 3.12Å; N20-R22 VanDerWaalsContact O-N 3.1Å; N20-R22 WeakPolarHBondContact OD1-CB 3.45Å; N20-R22 WeakPolarHBondContact OD1-CD 3.48Å; N20-R22 WeakPolarHBondContact OD1-CG 3.45Å; N20-R22 PolarHBondContact OD1-N 3.06Å | ||
| 21 | P | 81 | Confident | 75.9 | Confident | 56 Ų | 56 | 72.6 Ų | 72.6 | 36% | 0.364 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -9.3 | -174.8 | 26.2 | -34.6 | 0 | 0 | 0 | 114.6 | G19 I23 S24 A25 Y84 | G19-P21 WeakPolarHBondContact O-CD 3.35Å; P21-I23 VanDerWaalsContact C-N 3.3Å; P21-I23 PolarHBondContact O-N 3.07Å; P21-S24 PolarHBondContact O-N 3.26Å; P21-A25 WeakPolarHBondContact O-CB 3.44Å; P21-A25 PolarHBondContact O-N 3.17Å; P21-Y84 HydrophobicContact CB-CD2 3.98Å; P21-Y84 HydrophobicContact CB-CG 3.88Å |
| 22 | R | 84.4 | Confident | 77.1 | Confident | 184 Ų | 184 | 72.1 Ų | 72.1 | 69% | 0.694 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -55.4 | -41.7 | -172.8 | -70.4 | 174.5 | -165.9 | -162.3 | 2.5 | 113.1 | N20 I26 | N20-R22 PolarHBondContact O-N 3.12Å; N20-R22 VanDerWaalsContact O-N 3.1Å; N20-R22 WeakPolarHBondContact OD1-CB 3.45Å; N20-R22 WeakPolarHBondContact OD1-CD 3.48Å; N20-R22 WeakPolarHBondContact OD1-CG 3.45Å; N20-R22 PolarHBondContact OD1-N 3.06Å; R22-I26 WeakPolarHBondContact O-CB 3.43Å; R22-I26 WeakPolarHBondContact O-CD1 3.38Å; R22-I26 WeakPolarHBondContact O-CG1 3.29Å; R22-I26 PolarHBondContact O-N 2.83Å |
| 23 | I | 81.6 | Confident | 78.4 | Confident | 99 Ų | 99 | 72.5 Ų | 72.5 | 51% | 0.508 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.9 | -52.6 | -178.5 | -61.9 | 176.1 | 0 | 0 | 0 | 109.7 | P21 A25 I26 M27 L295 | P21-I23 VanDerWaalsContact C-N 3.3Å; P21-I23 PolarHBondContact O-N 3.07Å; I23-A25 VanDerWaalsContact C-N 3.34Å; I23-A25 PolarHBondContact O-N 3.16Å; I23-I26 PolarHBondContact O-N 2.94Å; I23-M27 HydrophobicContact CG2-CG 4.46Å; I23-M27 HydrophobicContact CG2-SD 3.82Å; I23-M27 WeakPolarHBondContact O-CB 3.4Å; I23-M27 VanDerWaalsContact O-CG 3.29Å; I23-M27 WeakPolarHBondContact O-CG 3.4Å; I23-M27 PolarHBondContact O-N 3.02Å; I23-L295 HydrophobicContact CG2-CD2 4.49Å |
| 24 | S | 81.3 | Confident | 79.2 | Confident | 10 Ų | 10 | 69 Ų | 69 | 7% | 0.07 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.6 | -38 | 178.1 | -53.9 | 0 | 0 | 0 | 0 | 112.9 | P21 M27 F28 V80 | P21-S24 PolarHBondContact O-N 3.26Å; S24-M27 PolarHBondContact O-N 3.41Å; S24-F28 VanDerWaalsContact O-CB 3.3Å; S24-F28 WeakPolarHBondContact O-CB 3.35Å; S24-F28 PolarHBondContact O-N 3.12Å; S24-V80 WeakPolarHBondContact OG-CG1 3.31Å |
| 25 | A | 85.8 | Confident | 80.3 | Confident | 34 Ų | 34 | 64.7 Ų | 64.7 | 28% | 0.281 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -68.2 | -39.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | P21 I23 S29 L81 | P21-A25 WeakPolarHBondContact O-CB 3.44Å; P21-A25 PolarHBondContact O-N 3.17Å; I23-A25 VanDerWaalsContact C-N 3.34Å; I23-A25 PolarHBondContact O-N 3.16Å; A25-S29 VanDerWaalsContact O-CB 3.31Å; A25-S29 WeakPolarHBondContact O-CB 3.44Å; A25-S29 PolarHBondContact O-N 3.34Å; A25-S29 PolarHBondContact O-OG 2.78Å; A25-L81 HydrophobicContact CB-CD2 4.04Å |
| 26 | I | 87.4 | Confident | 81.4 | Confident | 117 Ų | 117 | 63.2 Ų | 63.2 | 60% | 0.6 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -65.5 | -46.9 | 173.4 | -70.1 | 164.9 | 0 | 0 | 0 | 110.1 | R22 I23 F28 S29 A30 | R22-I26 WeakPolarHBondContact O-CB 3.43Å; R22-I26 WeakPolarHBondContact O-CD1 3.38Å; R22-I26 WeakPolarHBondContact O-CG1 3.29Å; R22-I26 PolarHBondContact O-N 2.83Å; I23-I26 PolarHBondContact O-N 2.94Å; I26-F28 PolarHBondContact O-N 3.46Å; I26-S29 PolarHBondContact O-N 3.44Å; I26-A30 VanDerWaalsContact O-CB 3.25Å; I26-A30 WeakPolarHBondContact O-CB 3.49Å; I26-A30 PolarHBondContact O-N 3.46Å |
| 27 | M | 85.1 | Confident | 82.3 | Confident | 28 Ų | 28 | 64.6 Ų | 64.6 | 14% | 0.138 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.1 | -49.1 | 178 | -76.2 | 177.8 | 79 | 0 | 0 | 111.9 | I23 S24 G31 L295 S298 I302 | I23-M27 HydrophobicContact CG2-CG 4.46Å; I23-M27 HydrophobicContact CG2-SD 3.82Å; I23-M27 WeakPolarHBondContact O-CB 3.4Å; I23-M27 VanDerWaalsContact O-CG 3.29Å; I23-M27 WeakPolarHBondContact O-CG 3.4Å; I23-M27 PolarHBondContact O-N 3.02Å; S24-M27 PolarHBondContact O-N 3.41Å; M27-G31 PolarHBondContact O-N 3.22Å; M27-L295 HydrophobicContact CE-CD2 4.27Å; M27-L295 HydrophobicContact SD-CD2 3.91Å; M27-S298 WeakPolarHBondContact CE-OG 3.46Å; M27-I302 HydrophobicContact CB-CD1 3.54Å; M27-I302 HydrophobicContact CE-CD1 3.84Å; M27-I302 HydrophobicContact CG-CD1 3.82Å; M27-I302 WeakPolarHBondContact O-CD1 3.45Å |
| 28 | F | 86.3 | Confident | 83.6 | Confident | 54 Ų | 54 | 58.3 Ų | 58.3 | 24% | 0.237 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.4 | -50.4 | 176.4 | 176.8 | -120.3 | 0 | 0 | 0 | 112.2 | S24 I26 A30 G31 V32 T73 P78 L81 | S24-F28 VanDerWaalsContact O-CB 3.3Å; S24-F28 WeakPolarHBondContact O-CB 3.35Å; S24-F28 PolarHBondContact O-N 3.12Å; I26-F28 PolarHBondContact O-N 3.46Å; F28-A30 PolarHBondContact O-N 3.14Å; F28-G31 PolarHBondContact O-N 2.98Å; F28-V32 HydrophobicContact CD2-CG2 3.81Å; F28-V32 HydrophobicContact CE2-CG2 3.46Å; F28-V32 VanDerWaalsContact CE2-CG2 3.46Å; F28-V32 HydrophobicContact CZ-CG2 3.9Å; F28-V32 WeakPolarHBondContact O-CG2 3.39Å; F28-V32 PolarHBondContact O-N 3.27Å; F28-T73 HydrophobicContact CD2-CG2 3.84Å; F28-T73 HydrophobicContact CE2-CG2 4.31Å; F28-P78 HydrophobicContact CE2-CG 4.3Å; F28-P78 HydrophobicContact CZ-CG 4.47Å; F28-L81 HydrophobicContact CB-CD1 4.24Å; F28-L81 HydrophobicContact CD1-CD1 3.63Å; F28-L81 HydrophobicContact CE1-CD1 4.17Å; F28-L81 HydrophobicContact CG-CD1 4.01Å |
| 29 | S | 87.8 | Confident | 84.9 | Confident | 58 Ų | 58 | 52.1 Ų | 52.1 | 41% | 0.406 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.9 | -45.5 | -178.2 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | A25 I26 I33 | A25-S29 VanDerWaalsContact O-CB 3.31Å; A25-S29 WeakPolarHBondContact O-CB 3.44Å; A25-S29 PolarHBondContact O-N 3.34Å; A25-S29 PolarHBondContact O-OG 2.78Å; I26-S29 PolarHBondContact O-N 3.44Å; S29-I33 VanDerWaalsContact O-CB 3.27Å; S29-I33 WeakPolarHBondContact O-CB 3.27Å; S29-I33 WeakPolarHBondContact O-CD1 3.4Å; S29-I33 WeakPolarHBondContact O-CG1 3.29Å; S29-I33 PolarHBondContact O-N 3.32Å |
| 30 | A | 88.2 | Confident | 86.2 | Confident | 28 Ų | 28 | 55.3 Ų | 55.3 | 23% | 0.231 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.9 | -37.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I26 F28 G34 I302 W306 | I26-A30 VanDerWaalsContact O-CB 3.25Å; I26-A30 WeakPolarHBondContact O-CB 3.49Å; I26-A30 PolarHBondContact O-N 3.46Å; F28-A30 PolarHBondContact O-N 3.14Å; A30-G34 WeakPolarHBondContact O-CA 3.03Å; A30-G34 PolarHBondContact O-N 3.27Å; A30-I302 HydrophobicContact CB-CG2 3.8Å; A30-W306 PolarHBondContact O-NE1 3.1Å; A30-W306 VanDerWaalsContact O-NE1 3.11Å |
| 31 | G | 87.2 | Confident | 86.7 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.1 | -48.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | M27 F28 N35 | M27-G31 PolarHBondContact O-N 3.22Å; F28-G31 PolarHBondContact O-N 2.98Å; G31-N35 VanDerWaalsContact O-CB 3.31Å; G31-N35 WeakPolarHBondContact O-CB 3.22Å; G31-N35 PolarHBondContact O-N 3.01Å; G31-N35 PolarHBondContact O-ND2 3.08Å |
| 32 | V | 90.3 | Very high | 86.8 | Confident | 39 Ų | 39 | 50.6 Ų | 50.6 | 24% | 0.236 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.4 | -47.9 | 179 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | F28 L36 T73 | F28-V32 HydrophobicContact CD2-CG2 3.81Å; F28-V32 HydrophobicContact CE2-CG2 3.46Å; F28-V32 VanDerWaalsContact CE2-CG2 3.46Å; F28-V32 HydrophobicContact CZ-CG2 3.9Å; F28-V32 WeakPolarHBondContact O-CG2 3.39Å; F28-V32 PolarHBondContact O-N 3.27Å; V32-L36 WeakPolarHBondContact O-CB 3.28Å; V32-L36 PolarHBondContact O-N 3.38Å; V32-T73 HydrophobicContact CG2-CG2 3.86Å |
| 33 | I | 90.8 | Very high | 86.7 | Confident | 102 Ų | 102 | 44.1 Ų | 44.1 | 52% | 0.523 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.9 | -45.5 | 179.9 | -66.5 | 168.2 | 0 | 0 | 0 | 110.5 | S29 A37 W306 | S29-I33 VanDerWaalsContact O-CB 3.27Å; S29-I33 WeakPolarHBondContact O-CB 3.27Å; S29-I33 WeakPolarHBondContact O-CD1 3.4Å; S29-I33 WeakPolarHBondContact O-CG1 3.29Å; S29-I33 PolarHBondContact O-N 3.32Å; I33-A37 WeakPolarHBondContact O-CB 3.01Å; I33-A37 PolarHBondContact O-N 3Å; I33-W306 HydrophobicContact CG2-CH2 4Å; I33-W306 HydrophobicContact CG2-CZ2 4.25Å |
| 34 | G | 87.1 | Confident | 86.8 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.3 | -54.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | A30 L36 A37 A38 | A30-G34 WeakPolarHBondContact O-CA 3.03Å; A30-G34 PolarHBondContact O-N 3.27Å; G34-L36 PolarHBondContact O-N 3.02Å; G34-A37 PolarHBondContact O-N 2.95Å; G34-A38 WeakPolarHBondContact O-CB 3.46Å; G34-A38 PolarHBondContact O-N 3.5Å |
| 35 | N | 90.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.1 | -42 | -178.8 | -76.8 | -60.8 | 0 | 0 | 0 | 112.4 | G31 A37 A38 L39 V66 L70 S301 P305 | G31-N35 VanDerWaalsContact O-CB 3.31Å; G31-N35 WeakPolarHBondContact O-CB 3.22Å; G31-N35 PolarHBondContact O-N 3.01Å; G31-N35 PolarHBondContact O-ND2 3.08Å; N35-A37 PolarHBondContact O-N 2.97Å; N35-A38 PolarHBondContact O-N 3.49Å; N35-L39 WeakPolarHBondContact O-CG 3.5Å; N35-L39 PolarHBondContact O-N 3.45Å; N35-V66 HydrophobicContact CB-CG1 3.98Å; N35-V66 VanDerWaalsContact O-CG1 3.27Å; N35-V66 WeakPolarHBondContact O-CG1 3.34Å; N35-V66 WeakPolarHBondContact OD1-CG1 3.36Å; N35-L70 HydrophobicContact CB-CB 3.94Å; N35-L70 HydrophobicContact CB-CD1 4.1Å; N35-S301 PolarHBondContact ND2-O 3.34Å; N35-S301 VanDerWaalsContact ND2-O 3.13Å; N35-P305 WeakPolarHBondContact OD1-CG 3.45Å |
| 36 | L | 90.6 | Very high | 86.1 | Confident | 91 Ų | 91 | 50.8 Ų | 50.8 | 48% | 0.476 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 176.6 | -176.6 | 60.2 | 0 | 0 | 0 | 112 | V32 G34 A38 L39 I40 | V32-L36 WeakPolarHBondContact O-CB 3.28Å; V32-L36 PolarHBondContact O-N 3.38Å; G34-L36 PolarHBondContact O-N 3.02Å; L36-A38 VanDerWaalsContact C-N 3.32Å; L36-A38 PolarHBondContact O-N 2.85Å; L36-L39 PolarHBondContact O-N 3.46Å; L36-I40 HydrophobicContact CD1-CD1 4.27Å; L36-I40 HydrophobicContact CG-CD1 4.02Å; L36-I40 VanDerWaalsContact O-CG1 3.29Å; L36-I40 WeakPolarHBondContact O-CG1 3.04Å; L36-I40 PolarHBondContact O-N 3.49Å |
| 37 | A | 88.1 | Confident | 85.6 | Confident | 40 Ų | 40 | 53.8 Ų | 53.8 | 33% | 0.331 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.6 | -38.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I33 G34 N35 I40 L41 I309 | I33-A37 WeakPolarHBondContact O-CB 3.01Å; I33-A37 PolarHBondContact O-N 3Å; G34-A37 PolarHBondContact O-N 2.95Å; N35-A37 PolarHBondContact O-N 2.97Å; A37-I40 PolarHBondContact O-N 3.39Å; A37-L41 WeakPolarHBondContact O-CB 3.44Å; A37-L41 PolarHBondContact O-N 3.05Å; A37-I309 HydrophobicContact CB-CD1 3.81Å |
| 38 | A | 87.3 | Confident | 85 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.6 | -43.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G34 N35 L36 L41 L42 V66 P305 F308 I309 | G34-A38 WeakPolarHBondContact O-CB 3.46Å; G34-A38 PolarHBondContact O-N 3.5Å; N35-A38 PolarHBondContact O-N 3.49Å; L36-A38 VanDerWaalsContact C-N 3.32Å; L36-A38 PolarHBondContact O-N 2.85Å; A38-L41 PolarHBondContact O-N 2.94Å; A38-L42 WeakPolarHBondContact O-CB 3.48Å; A38-L42 WeakPolarHBondContact O-CD1 3.24Å; A38-L42 VanDerWaalsContact O-CG 3.24Å; A38-L42 WeakPolarHBondContact O-CG 3.36Å; A38-L42 PolarHBondContact O-N 3.47Å; A38-V66 HydrophobicContact CB-CG1 3.85Å; A38-V66 HydrophobicContact CB-CG2 4.08Å; A38-P305 HydrophobicContact CB-CB 3.82Å; A38-F308 HydrophobicContact CB-CD1 4.26Å; A38-I309 HydrophobicContact CB-CD1 4.07Å; A38-I309 HydrophobicContact CB-CG1 4.21Å |
| 39 | L | 88.1 | Confident | 84 | Confident | 40 Ų | 40 | 61.8 Ų | 61.8 | 21% | 0.209 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.9 | -44.9 | 174 | -68.9 | 178.8 | 0 | 0 | 0 | 112.2 | N35 L36 L41 L42 E43 T63 V66 V67 L70 | N35-L39 WeakPolarHBondContact O-CG 3.5Å; N35-L39 PolarHBondContact O-N 3.45Å; L36-L39 PolarHBondContact O-N 3.46Å; L39-L41 PolarHBondContact O-N 3.23Å; L39-L42 PolarHBondContact O-N 3.09Å; L39-E43 WeakPolarHBondContact O-CB 3.38Å; L39-E43 PolarHBondContact O-N 3.44Å; L39-T63 HydrophobicContact CD2-CG2 4.28Å; L39-V66 HydrophobicContact CD1-CG1 4.49Å; L39-V66 HydrophobicContact CD2-CB 4.01Å; L39-V66 HydrophobicContact CD2-CG1 3.63Å; L39-V66 HydrophobicContact CG-CG1 3.6Å; L39-V67 HydrophobicContact CD2-CG2 3.95Å; L39-L70 HydrophobicContact CD1-CD2 3.84Å |
| 40 | I | 87.3 | Confident | 82.6 | Confident | 93 Ų | 93 | 68.1 Ų | 68.1 | 48% | 0.477 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.7 | -45 | 177.7 | -68.4 | 166.4 | 0 | 0 | 0 | 110.5 | L36 A37 E43 I44 | L36-I40 HydrophobicContact CD1-CD1 4.27Å; L36-I40 HydrophobicContact CG-CD1 4.02Å; L36-I40 VanDerWaalsContact O-CG1 3.29Å; L36-I40 WeakPolarHBondContact O-CG1 3.04Å; L36-I40 PolarHBondContact O-N 3.49Å; A37-I40 PolarHBondContact O-N 3.39Å; I40-E43 PolarHBondContact O-N 3.27Å; I40-I44 HydrophobicContact CG2-CD1 3.75Å; I40-I44 HydrophobicContact CG2-CG1 4.47Å; I40-I44 VanDerWaalsContact O-CG1 3.27Å; I40-I44 WeakPolarHBondContact O-CG1 3.36Å; I40-I44 PolarHBondContact O-N 2.94Å |
| 41 | L | 84.5 | Confident | 80.7 | Confident | 40 Ų | 40 | 72.1 Ų | 72.1 | 21% | 0.209 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.3 | -42 | 176.7 | -179.6 | 61.4 | 0 | 0 | 0 | 112.3 | A37 A38 L39 E43 R45 F308 I309 | A37-L41 WeakPolarHBondContact O-CB 3.44Å; A37-L41 PolarHBondContact O-N 3.05Å; A38-L41 PolarHBondContact O-N 2.94Å; L39-L41 PolarHBondContact O-N 3.23Å; L41-E43 VanDerWaalsContact C-N 3.34Å; L41-R45 WeakPolarHBondContact O-CB 3.3Å; L41-R45 WeakPolarHBondContact O-CG 3.48Å; L41-R45 PolarHBondContact O-N 3.45Å; L41-R45 VanDerWaalsContact O-N 3.09Å; L41-F308 HydrophobicContact CD2-CE1 4.29Å; L41-I309 HydrophobicContact CD2-CG1 4.23Å |
| 42 | L | 82.6 | Confident | 79.1 | Confident | 6 Ų | 6 | 78.8 Ų | 78.8 | 3% | 0.031 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.3 | -39.7 | 174.8 | -77.4 | 164.3 | 0 | 0 | 0 | 111.9 | A38 L39 R46 H59 V62 V66 F308 | A38-L42 WeakPolarHBondContact O-CB 3.48Å; A38-L42 WeakPolarHBondContact O-CD1 3.24Å; A38-L42 VanDerWaalsContact O-CG 3.24Å; A38-L42 WeakPolarHBondContact O-CG 3.36Å; A38-L42 PolarHBondContact O-N 3.47Å; L39-L42 PolarHBondContact O-N 3.09Å; L42-R46 WeakPolarHBondContact O-CB 3.47Å; L42-R46 PolarHBondContact O-N 3.39Å; L42-H59 PolarHBondContact O-NE2 3.36Å; L42-V62 HydrophobicContact CD1-CG1 4.06Å; L42-V62 HydrophobicContact CD2-CG1 4.04Å; L42-V66 HydrophobicContact CD1-CG2 4.26Å; L42-F308 HydrophobicContact CD1-CE1 4.36Å; L42-F308 HydrophobicContact CD2-CE1 3.84Å; L42-F308 HydrophobicContact CD2-CE2 4.38Å; L42-F308 HydrophobicContact CD2-CZ 3.47Å; L42-F308 VanDerWaalsContact CD2-CZ 3.47Å; L42-F308 HydrophobicContact CG-CE1 3.79Å; L42-F308 HydrophobicContact CG-CZ 3.98Å |
| 43 | E | 83.6 | Confident | 77 | Confident | 48 Ų | 48 | 85.1 Ų | 85.1 | 22% | 0.224 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -72.1 | -44 | 179.8 | 175.8 | 59.4 | -178.5 | 0 | 0 | 112.3 | L39 I40 L41 R45 R46 R47 | L39-E43 WeakPolarHBondContact O-CB 3.38Å; L39-E43 PolarHBondContact O-N 3.44Å; I40-E43 PolarHBondContact O-N 3.27Å; L41-E43 VanDerWaalsContact C-N 3.34Å; E43-R45 VanDerWaalsContact C-N 3.26Å; E43-R45 PolarHBondContact O-N 3.26Å; E43-R46 VanDerWaalsContact CD-NH2 3.28Å; E43-R46 PolarHBondContact O-N 3.11Å; E43-R46 IonicContact OE1-NH2 3.05Å; E43-R46 PolarHBondContact OE1-NH2 2.87Å; E43-R46 VanDerWaalsContact OE1-NH2 3.12Å; E43-R46 IonicContact OE2-CZ 2.99Å; E43-R46 IonicContact OE2-NE 2.72Å; E43-R46 PolarHBondContact OE2-NE 2.81Å; E43-R46 IonicContact OE2-NH2 3.05Å; E43-R46 PolarHBondContact OE2-NH2 3.46Å; E43-R47 WeakPolarHBondContact O-CG 3.29Å; E43-R47 PolarHBondContact O-N 2.97Å; E43-R47 IonicContact OE1-CZ 3.72Å; E43-R47 VanDerWaalsContact OE1-CZ 3.25Å; E43-R47 IonicContact OE1-NE 3.7Å; E43-R47 PolarHBondContact OE1-NE 3.29Å; E43-R47 IonicContact OE1-NH2 2.64Å; E43-R47 PolarHBondContact OE1-NH2 3.48Å |
| 44 | I | 82.4 | Confident | 75.1 | Confident | 103 Ų | 103 | 89.6 Ų | 89.6 | 53% | 0.528 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -57.2 | -43.5 | 173.9 | -69.6 | 165.9 | 0 | 0 | 0 | 110 | I40 R47 K48 | I40-I44 HydrophobicContact CG2-CD1 3.75Å; I40-I44 HydrophobicContact CG2-CG1 4.47Å; I40-I44 VanDerWaalsContact O-CG1 3.27Å; I40-I44 WeakPolarHBondContact O-CG1 3.36Å; I40-I44 PolarHBondContact O-N 2.94Å; I44-R47 PolarHBondContact O-N 3.41Å; I44-K48 WeakPolarHBondContact O-CB 3.37Å; I44-K48 PolarHBondContact O-N 2.88Å; I44-K48 VanDerWaalsContact O-N 3.07Å |
| 45 | R | 76.1 | Confident | 73.8 | Confident | 35 Ų | 35 | 92.3 Ų | 92.3 | 13% | 0.132 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -65.6 | -46 | 174.1 | -74.4 | 175.3 | 176.8 | 162.6 | 1 | 112.6 | L41 E43 R47 K48 D49 S312 S314 | L41-R45 WeakPolarHBondContact O-CB 3.3Å; L41-R45 WeakPolarHBondContact O-CG 3.48Å; L41-R45 PolarHBondContact O-N 3.45Å; L41-R45 VanDerWaalsContact O-N 3.09Å; E43-R45 VanDerWaalsContact C-N 3.26Å; E43-R45 PolarHBondContact O-N 3.26Å; R45-R47 PolarHBondContact O-N 3.4Å; R45-K48 PolarHBondContact O-N 3.09Å; R45-D49 PolarHBondContact O-N 3.45Å; R45-S312 VanDerWaalsContact CZ-OG 3.28Å; R45-S312 PolarHBondContact NH1-OG 2.9Å; R45-S312 PolarHBondContact NH2-OG 2.03Å; R45-S314 PolarHBondContact NH2-OG 2.82Å |
| 46 | R | 76.9 | Confident | 72.8 | Confident | 145 Ų | 145 | 94.1 Ų | 94.1 | 55% | 0.547 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -55.5 | -38.5 | 177.3 | -169.5 | 176.9 | 69.2 | 146.7 | 2.8 | 112 | L42 E43 | L42-R46 WeakPolarHBondContact O-CB 3.47Å; L42-R46 PolarHBondContact O-N 3.39Å; E43-R46 VanDerWaalsContact CD-NH2 3.28Å; E43-R46 PolarHBondContact O-N 3.11Å; E43-R46 IonicContact OE1-NH2 3.05Å; E43-R46 PolarHBondContact OE1-NH2 2.87Å; E43-R46 VanDerWaalsContact OE1-NH2 3.12Å; E43-R46 IonicContact OE2-CZ 2.99Å; E43-R46 IonicContact OE2-NE 2.72Å; E43-R46 PolarHBondContact OE2-NE 2.81Å; E43-R46 IonicContact OE2-NH2 3.05Å; E43-R46 PolarHBondContact OE2-NH2 3.46Å |
| 47 | R | 77.9 | Confident | 72.2 | Confident | 179 Ų | 179 | 90.5 Ų | 90.5 | 68% | 0.675 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -69.7 | -41.9 | 174.6 | -68.7 | 179.8 | -172.9 | -155.8 | 3.2 | 112.5 | E43 I44 R45 | E43-R47 WeakPolarHBondContact O-CG 3.29Å; E43-R47 PolarHBondContact O-N 2.97Å; E43-R47 IonicContact OE1-CZ 3.72Å; E43-R47 VanDerWaalsContact OE1-CZ 3.25Å; E43-R47 IonicContact OE1-NE 3.7Å; E43-R47 PolarHBondContact OE1-NE 3.29Å; E43-R47 IonicContact OE1-NH2 2.64Å; E43-R47 PolarHBondContact OE1-NH2 3.48Å; I44-R47 PolarHBondContact O-N 3.41Å; R45-R47 PolarHBondContact O-N 3.4Å |
| 48 | K | 72.1 | Confident | 71.8 | Confident | 175 Ų | 175 | 89 Ų | 89 | 76% | 0.761 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -71.3 | -39.9 | -179.6 | -166.4 | 172.7 | -175.8 | 173.3 | 0 | 113.3 | I44 R45 K50 | I44-K48 WeakPolarHBondContact O-CB 3.37Å; I44-K48 PolarHBondContact O-N 2.88Å; I44-K48 VanDerWaalsContact O-N 3.07Å; R45-K48 PolarHBondContact O-N 3.09Å; K48-K50 VanDerWaalsContact C-N 3.34Å; K48-K50 PolarHBondContact O-N 2.94Å |
| 49 | D | 66 | Low | 71.4 | Confident | 75 Ų | 75 | 91.1 Ų | 91.1 | 40% | 0.401 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -89.7 | 12.5 | -177.3 | -76.9 | -47.9 | 0 | 0 | 0 | 114.3 | R45 S51 R52 | R45-D49 PolarHBondContact O-N 3.45Å; D49-S51 PolarHBondContact O-N 3.41Å; D49-R52 PolarHBondContact O-N 3.32Å |
| 50 | K | 57.7 | Low | 71.4 | Confident | 192 Ų | 192 | 91 Ų | 91 | 84% | 0.835 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -53.1 | -20.7 | 169.3 | -115.6 | -178.4 | 178 | -177.3 | 0 | 113.3 | K48 | K48-K50 VanDerWaalsContact C-N 3.34Å; K48-K50 PolarHBondContact O-N 2.94Å |
| 51 | S | 48.9 | Very low | 71.4 | Confident | 112 Ų | 112 | 87 Ų | 87 | 78% | 0.783 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -83.8 | -22.8 | 174.3 | -179.2 | 0 | 0 | 0 | 0 | 114.6 | D49 | D49-S51 PolarHBondContact O-N 3.41Š|
| 52 | R | 52.5 | Low | 71.5 | Confident | 139 Ų | 139 | 85.4 Ų | 85.4 | 53% | 0.525 | 39% | 0.39 | S | S | . | . | trans | -112 | 82.8 | -173.4 | -76.5 | -176.5 | 168.8 | -157.7 | -0.4 | 112 | D49 R54 E249 | D49-R52 PolarHBondContact O-N 3.32Å; R52-R54 PolarHBondContact O-N 2.9Å; R52-E249 IonicContact NH1-OE1 2.86Å; R52-E249 PolarHBondContact NH1-OE1 3.23Å; R52-E249 IonicContact NH1-OE2 3.25Å; R52-E249 PolarHBondContact NH1-OE2 2.92Å | ||
| 53 | Q | 47.1 | Very low | 71.8 | Confident | 173 Ų | 173 | 87 Ų | 87 | 81% | 0.808 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | 5.8 | -163.1 | -144.7 | 171.5 | 8.4 | 0 | 0 | 118.6 | ||
| 54 | R | 50.4 | Low | 72.2 | Confident | 196 Ų | 196 | 85.6 Ų | 85.6 | 74% | 0.74 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -17 | -158.3 | -158.5 | 175.6 | -71.3 | -172.7 | -3 | 117.6 | R52 | R52-R54 PolarHBondContact O-N 2.9Š|
| 55 | L | 58.8 | Low | 72.6 | Confident | 57 Ų | 57 | 81 Ų | 81 | 30% | 0.298 | 37% | 0.371 | S | S | . | . | trans | -111.5 | 22.1 | -171.3 | -113.1 | 85 | 0 | 0 | 0 | 116.5 | L57 H59 | L55-L57 PolarHBondContact O-N 2.91Å; L55-H59 PolarHBondContact O-N 3.28Å | ||
| 56 | S | 69.9 | Low | 73.3 | Confident | 37 Ų | 37 | 79.4 Ų | 79.4 | 26% | 0.259 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -70.6 | -25.7 | -166.7 | 63.3 | 0 | 0 | 0 | 0 | 116.6 | V60 K143 | S56-V60 WeakPolarHBondContact O-CB 3.36Å; S56-V60 VanDerWaalsContact O-CG2 3.25Å; S56-V60 WeakPolarHBondContact O-CG2 3.41Å; S56-V60 PolarHBondContact O-N 3.4Å; S56-K143 VanDerWaalsContact OG-CD 3.22Å; S56-K143 WeakPolarHBondContact OG-CD 3.43Å; S56-K143 WeakPolarHBondContact OG-CE 3.3Å; S56-K143 PolarHBondContact OG-NZ 3.25Å |
| 57 | L | 78.1 | Confident | 74.1 | Confident | 15 Ų | 15 | 75 Ų | 75 | 8% | 0.079 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -71.7 | -49 | -179.2 | -83.7 | 172.2 | 0 | 0 | 0 | 111.8 | L55 H59 V60 L61 V141 | L55-L57 PolarHBondContact O-N 2.91Å; L57-H59 VanDerWaalsContact C-N 3.32Å; L57-H59 PolarHBondContact O-N 2.94Å; L57-V60 PolarHBondContact O-N 3.45Å; L57-V60 VanDerWaalsContact O-N 3.15Å; L57-L61 WeakPolarHBondContact O-CG 3.25Å; L57-L61 PolarHBondContact O-N 2.86Å; L57-V141 HydrophobicContact CD1-CG1 3.46Å; L57-V141 VanDerWaalsContact CD1-CG1 3.46Å |
| 58 | F | 79.3 | Confident | 74.8 | Confident | 10 Ų | 10 | 66.5 Ų | 66.5 | 4% | 0.044 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.2 | -42.6 | 172 | 178.7 | -93.3 | 0 | 0 | 0 | 112.4 | V60 L61 V62 M123 H253 L257 | F58-V60 VanDerWaalsContact C-N 3.34Å; F58-V60 PolarHBondContact O-N 3.25Å; F58-L61 PolarHBondContact O-N 3Å; F58-V62 HydrophobicContact CD1-CG2 4.08Å; F58-V62 HydrophobicContact CD2-CG2 4.31Å; F58-V62 HydrophobicContact CE1-CG2 3.65Å; F58-V62 HydrophobicContact CE2-CG2 3.92Å; F58-V62 HydrophobicContact CG-CG2 4.38Å; F58-V62 HydrophobicContact CZ-CG2 3.57Å; F58-V62 WeakPolarHBondContact O-CB 3.12Å; F58-V62 WeakPolarHBondContact O-CG2 3.41Å; F58-V62 PolarHBondContact O-N 3.18Å; F58-M123 HydrophobicContact CE2-SD 4.46Å; F58-H253 HydrophobicContact CE1-CB 4.3Å; F58-H253 AromaticContact CE1-CE1 3.78Å; F58-H253 AromaticContact CE1-CG 3.87Å; F58-H253 AromaticContact CE1-ND1 3.26Å; F58-H253 VanDerWaalsContact CE1-ND1 3.26Å; F58-H253 WeakPolarHBondContact CE1-ND1 3.44Å; F58-H253 HydrophobicContact CZ-CB 4.15Å; F58-H253 AromaticContact CZ-ND1 3.74Å; F58-L257 HydrophobicContact CE2-CD1 4.35Å |
| 59 | H | 80.2 | Confident | 75.8 | Confident | 43 Ų | 43 | 58.2 Ų | 58.2 | 20% | 0.199 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.7 | -42.2 | 175 | -176.7 | -81 | 0 | 0 | 0 | 112.3 | L42 L55 L57 T63 | L42-H59 PolarHBondContact O-NE2 3.36Å; L55-H59 PolarHBondContact O-N 3.28Å; L57-H59 VanDerWaalsContact C-N 3.32Å; L57-H59 PolarHBondContact O-N 2.94Å; H59-T63 PolarHBondContact CE1-OG1 3.24Å; H59-T63 WeakPolarHBondContact O-CB 3.19Å; H59-T63 PolarHBondContact O-N 2.9Å; H59-T63 PolarHBondContact O-OG1 3.48Å |
| 60 | V | 86.5 | Confident | 77 | Confident | 38 Ų | 38 | 56.4 Ų | 56.4 | 23% | 0.23 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.7 | -48.9 | 174.8 | 164.2 | 0 | 0 | 0 | 0 | 111.1 | S56 L57 F58 T63 T64 I150 | S56-V60 WeakPolarHBondContact O-CB 3.36Å; S56-V60 VanDerWaalsContact O-CG2 3.25Å; S56-V60 WeakPolarHBondContact O-CG2 3.41Å; S56-V60 PolarHBondContact O-N 3.4Å; L57-V60 PolarHBondContact O-N 3.45Å; L57-V60 VanDerWaalsContact O-N 3.15Å; F58-V60 VanDerWaalsContact C-N 3.34Å; F58-V60 PolarHBondContact O-N 3.25Å; V60-T63 PolarHBondContact O-N 3.26Å; V60-T64 PolarHBondContact O-N 2.88Å; V60-T64 PolarHBondContact O-OG1 3.1Å; V60-I150 HydrophobicContact CG1-CD1 3.61Å |
| 61 | L | 88.4 | Confident | 78.7 | Confident | 9 Ų | 9 | 51.5 Ų | 51.5 | 5% | 0.047 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 179.7 | -68.8 | 170.8 | 0 | 0 | 0 | 112.9 | L57 F58 T63 T64 L65 A122 M123 E126 I150 | L57-L61 WeakPolarHBondContact O-CG 3.25Å; L57-L61 PolarHBondContact O-N 2.86Å; F58-L61 PolarHBondContact O-N 3Å; L61-T63 VanDerWaalsContact C-N 3.33Å; L61-T64 WeakPolarHBondContact O-CB 3.19Å; L61-T64 PolarHBondContact O-N 3.44Å; L61-L65 PolarHBondContact O-N 3Å; L61-A122 HydrophobicContact CD2-CB 4.22Å; L61-M123 HydrophobicContact CB-CG 3.48Å; L61-M123 VanDerWaalsContact CB-CG 3.48Å; L61-M123 HydrophobicContact CB-SD 4.01Å; L61-M123 HydrophobicContact CD1-CG 3.85Å; L61-M123 HydrophobicContact CG-CG 4.24Å; L61-E126 HydrophobicContact CD1-CB 4.26Å; L61-E126 HydrophobicContact CD1-CG 4.41Å; L61-I150 HydrophobicContact CD2-CG1 4.31Å |
| 62 | V | 86.4 | Confident | 80.8 | Confident | 6 Ų | 6 | 46.6 Ų | 46.6 | 4% | 0.036 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.7 | -37.2 | 174.8 | 175.3 | 0 | 0 | 0 | 0 | 111.1 | L42 F58 T64 L65 V66 M123 F308 | L42-V62 HydrophobicContact CD1-CG1 4.06Å; L42-V62 HydrophobicContact CD2-CG1 4.04Å; F58-V62 HydrophobicContact CD1-CG2 4.08Å; F58-V62 HydrophobicContact CD2-CG2 4.31Å; F58-V62 HydrophobicContact CE1-CG2 3.65Å; F58-V62 HydrophobicContact CE2-CG2 3.92Å; F58-V62 HydrophobicContact CG-CG2 4.38Å; F58-V62 HydrophobicContact CZ-CG2 3.57Å; F58-V62 WeakPolarHBondContact O-CB 3.12Å; F58-V62 WeakPolarHBondContact O-CG2 3.41Å; F58-V62 PolarHBondContact O-N 3.18Å; V62-T64 VanDerWaalsContact C-N 3.34Å; V62-L65 WeakPolarHBondContact O-CB 3.49Å; V62-L65 PolarHBondContact O-N 3.1Å; V62-V66 WeakPolarHBondContact O-CG2 3.42Å; V62-V66 PolarHBondContact O-N 2.95Å; V62-V66 VanDerWaalsContact O-N 3.08Å; V62-M123 HydrophobicContact CB-SD 4.4Å; V62-M123 HydrophobicContact CG2-SD 3.49Å; V62-M123 WeakPolarHBondContact CG2-SD 3.5Å; V62-F308 HydrophobicContact CG1-CD2 3.92Å; V62-F308 HydrophobicContact CG1-CE2 3.75Å; V62-F308 HydrophobicContact CG1-CG 4.43Å; V62-F308 HydrophobicContact CG1-CZ 4.13Å |
| 63 | T | 88.1 | Confident | 82.6 | Confident | 40 Ų | 40 | 40.5 Ų | 40.5 | 25% | 0.245 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.8 | -41.4 | 173.6 | -55 | 0 | 0 | 0 | 0 | 110.7 | L39 H59 V60 L61 V66 V67 | L39-T63 HydrophobicContact CD2-CG2 4.28Å; H59-T63 PolarHBondContact CE1-OG1 3.24Å; H59-T63 WeakPolarHBondContact O-CB 3.19Å; H59-T63 PolarHBondContact O-N 2.9Å; H59-T63 PolarHBondContact O-OG1 3.48Å; V60-T63 PolarHBondContact O-N 3.26Å; L61-T63 VanDerWaalsContact C-N 3.33Å; T63-V66 PolarHBondContact O-N 2.96Å; T63-V67 HydrophobicContact CG2-CG2 4.43Å; T63-V67 WeakPolarHBondContact O-CB 3.26Å; T63-V67 VanDerWaalsContact O-CG2 3.27Å; T63-V67 WeakPolarHBondContact O-CG2 3.29Å; T63-V67 PolarHBondContact O-N 3.46Å |
| 64 | T | 91.6 | Very high | 84.7 | Confident | 19 Ų | 19 | 35.1 Ų | 35.1 | 12% | 0.117 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.9 | -45.2 | 174.8 | -59.9 | 0 | 0 | 0 | 0 | 111.5 | V60 L61 V62 V67 T68 V119 I150 Y154 | V60-T64 PolarHBondContact O-N 2.88Å; V60-T64 PolarHBondContact O-OG1 3.1Å; L61-T64 WeakPolarHBondContact O-CB 3.19Å; L61-T64 PolarHBondContact O-N 3.44Å; V62-T64 VanDerWaalsContact C-N 3.34Å; T64-V67 PolarHBondContact O-N 2.85Å; T64-T68 WeakPolarHBondContact O-CB 3.44Å; T64-T68 PolarHBondContact O-N 2.87Å; T64-T68 PolarHBondContact O-OG1 3.03Å; T64-V119 HydrophobicContact CG2-CG2 4.07Å; T64-I150 HydrophobicContact CG2-CD1 4.28Å; T64-I150 HydrophobicContact CG2-CG1 4.2Å; T64-I150 HydrophobicContact CG2-CG2 3.88Å; T64-I150 VanDerWaalsContact OG1-CD1 3.26Å; T64-I150 WeakPolarHBondContact OG1-CD1 3.47Å; T64-Y154 HydrophobicContact CG2-CE2 3.9Å; T64-Y154 WeakPolarHBondContact CG2-OH 3.47Å |
| 65 | L | 91.6 | Very high | 86.7 | Confident | 5 Ų | 5 | 28.7 Ų | 28.7 | 3% | 0.026 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -54.1 | -58.9 | 174.9 | -177.9 | 74.7 | 0 | 0 | 0 | 110.9 | L61 V62 V67 T68 D69 T116 V119 L120 M123 | L61-L65 PolarHBondContact O-N 3Å; V62-L65 WeakPolarHBondContact O-CB 3.49Å; V62-L65 PolarHBondContact O-N 3.1Å; L65-V67 VanDerWaalsContact C-N 3.28Å; L65-V67 PolarHBondContact O-N 2.9Å; L65-T68 WeakPolarHBondContact O-CA 3.25Å; L65-T68 VanDerWaalsContact O-CB 3.24Å; L65-T68 WeakPolarHBondContact O-CB 3.37Å; L65-T68 PolarHBondContact O-N 3.15Å; L65-D69 PolarHBondContact O-N 3.04Å; L65-T116 HydrophobicContact CD1-CG2 3.79Å; L65-V119 HydrophobicContact CB-CG1 3.97Å; L65-V119 HydrophobicContact CD1-CG1 4.31Å; L65-L120 HydrophobicContact CD1-CD2 4.47Å; L65-L120 HydrophobicContact CD1-CG 4.07Å; L65-L120 HydrophobicContact CD2-CD2 4.37Å; L65-M123 HydrophobicContact CB-CE 4.39Å; L65-M123 HydrophobicContact CD2-CE 3.8Å; L65-M123 HydrophobicContact CG-CE 4.47Å |
| 66 | V | 91.8 | Very high | 88.1 | Confident | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.012 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.4 | -33.4 | -177.1 | 178.6 | 0 | 0 | 0 | 0 | 112.3 | N35 A38 L39 L42 V62 T63 L70 | N35-V66 HydrophobicContact CB-CG1 3.98Å; N35-V66 VanDerWaalsContact O-CG1 3.27Å; N35-V66 WeakPolarHBondContact O-CG1 3.34Å; N35-V66 WeakPolarHBondContact OD1-CG1 3.36Å; A38-V66 HydrophobicContact CB-CG1 3.85Å; A38-V66 HydrophobicContact CB-CG2 4.08Å; L39-V66 HydrophobicContact CD1-CG1 4.49Å; L39-V66 HydrophobicContact CD2-CB 4.01Å; L39-V66 HydrophobicContact CD2-CG1 3.63Å; L39-V66 HydrophobicContact CG-CG1 3.6Å; L42-V66 HydrophobicContact CD1-CG2 4.26Å; V62-V66 WeakPolarHBondContact O-CG2 3.42Å; V62-V66 PolarHBondContact O-N 2.95Å; V62-V66 VanDerWaalsContact O-N 3.08Å; T63-V66 PolarHBondContact O-N 2.96Å; V66-L70 VanDerWaalsContact O-CB 3.24Å; V66-L70 WeakPolarHBondContact O-CB 3.47Å; V66-L70 PolarHBondContact O-N 3.24Å |
| 67 | V | 92.8 | Very high | 89 | Confident | 54 Ų | 54 | 25.9 Ų | 25.9 | 33% | 0.327 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -67.9 | -38.1 | 171.6 | 170 | 0 | 0 | 0 | 0 | 111.4 | L39 T63 T64 L65 M71 | L39-V67 HydrophobicContact CD2-CG2 3.95Å; T63-V67 HydrophobicContact CG2-CG2 4.43Å; T63-V67 WeakPolarHBondContact O-CB 3.26Å; T63-V67 VanDerWaalsContact O-CG2 3.27Å; T63-V67 WeakPolarHBondContact O-CG2 3.29Å; T63-V67 PolarHBondContact O-N 3.46Å; T64-V67 PolarHBondContact O-N 2.85Å; L65-V67 VanDerWaalsContact C-N 3.28Å; L65-V67 PolarHBondContact O-N 2.9Å; V67-M71 HydrophobicContact CG1-CG 4.36Å; V67-M71 HydrophobicContact CG1-SD 3.97Å; V67-M71 WeakPolarHBondContact O-CB 3.48Å; V67-M71 VanDerWaalsContact O-CG 3.24Å; V67-M71 WeakPolarHBondContact O-CG 3.27Å; V67-M71 PolarHBondContact O-N 2.93Å |
| 68 | T | 93.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.9 | -48.9 | 177.9 | -53.5 | 0 | 0 | 0 | 0 | 110.8 | T64 L65 L70 M71 G72 F112 A115 T116 Y154 | T64-T68 WeakPolarHBondContact O-CB 3.44Å; T64-T68 PolarHBondContact O-N 2.87Å; T64-T68 PolarHBondContact O-OG1 3.03Å; L65-T68 WeakPolarHBondContact O-CA 3.25Å; L65-T68 VanDerWaalsContact O-CB 3.24Å; L65-T68 WeakPolarHBondContact O-CB 3.37Å; L65-T68 PolarHBondContact O-N 3.15Å; T68-L70 PolarHBondContact O-N 3.41Å; T68-M71 PolarHBondContact O-N 3.34Å; T68-G72 PolarHBondContact O-N 2.97Å; T68-F112 HydrophobicContact CG2-CD1 3.8Å; T68-A115 HydrophobicContact CG2-CB 4.05Å; T68-T116 WeakPolarHBondContact CG2-OG1 3.39Å; T68-Y154 PolarHBondContact OG1-OH 2.93Å |
| 69 | D | 92.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.6 | -38 | 179.5 | -67.3 | -37.4 | 0 | 0 | 0 | 111.8 | L65 T73 T116 S301 | L65-D69 PolarHBondContact O-N 3.04Å; D69-T73 VanDerWaalsContact O-CB 3.29Å; D69-T73 WeakPolarHBondContact O-CB 3.29Å; D69-T73 PolarHBondContact O-N 2.99Å; D69-T73 PolarHBondContact O-OG1 3.3Å; D69-T116 PolarHBondContact OD1-OG1 2.91Å; D69-S301 WeakPolarHBondContact OD1-CB 3.37Å; D69-S301 PolarHBondContact OD1-OG 2.97Å |
| 70 | L | 92.1 | Very high | 90.2 | Very high | 37 Ų | 37 | 27.9 Ų | 27.9 | 19% | 0.194 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.7 | -46.5 | 171.9 | -176.2 | 60.8 | 0 | 0 | 0 | 111.8 | N35 L39 V66 T68 T73 C74 | N35-L70 HydrophobicContact CB-CB 3.94Å; N35-L70 HydrophobicContact CB-CD1 4.1Å; L39-L70 HydrophobicContact CD1-CD2 3.84Å; V66-L70 VanDerWaalsContact O-CB 3.24Å; V66-L70 WeakPolarHBondContact O-CB 3.47Å; V66-L70 PolarHBondContact O-N 3.24Å; T68-L70 PolarHBondContact O-N 3.41Å; L70-T73 PolarHBondContact O-N 3.05Å; L70-C74 WeakPolarHBondContact O-CB 3.38Å; L70-C74 PolarHBondContact O-N 3.34Å; L70-C74 PolarHBondContact O-SG 3.2Å; L70-C74 VanDerWaalsContact O-SG 3.37Å |
| 71 | M | 93 | Very high | 90.2 | Very high | 90 Ų | 90 | 28.2 Ų | 28.2 | 44% | 0.443 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -60.5 | -47.3 | 177.4 | -77.3 | 178.7 | 72.8 | 0 | 0 | 111.2 | V67 T68 C74 L75 F112 | V67-M71 HydrophobicContact CG1-CG 4.36Å; V67-M71 HydrophobicContact CG1-SD 3.97Å; V67-M71 WeakPolarHBondContact O-CB 3.48Å; V67-M71 VanDerWaalsContact O-CG 3.24Å; V67-M71 WeakPolarHBondContact O-CG 3.27Å; V67-M71 PolarHBondContact O-N 2.93Å; T68-M71 PolarHBondContact O-N 3.34Å; M71-C74 PolarHBondContact O-N 3.31Å; M71-L75 HydrophobicContact CB-CD1 4.4Å; M71-L75 VanDerWaalsContact O-CB 3.26Å; M71-L75 WeakPolarHBondContact O-CB 3.46Å; M71-L75 WeakPolarHBondContact O-CD1 3.5Å; M71-L75 WeakPolarHBondContact O-CG 3.27Å; M71-L75 PolarHBondContact O-N 3.35Å; M71-F112 HydrophobicContact CB-CE1 3.75Å; M71-F112 HydrophobicContact CB-CZ 3.99Å |
| 72 | G | 91.4 | Very high | 90.1 | Very high | 8 Ų | 8 | 29 Ų | 29 | 8% | 0.082 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.5 | -47.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T68 C74 L75 V76 F112 | T68-G72 PolarHBondContact O-N 2.97Å; G72-C74 VanDerWaalsContact C-N 3.34Å; G72-C74 PolarHBondContact O-N 3.5Å; G72-L75 PolarHBondContact O-N 3.29Å; G72-V76 VanDerWaalsContact O-CB 3.3Å; G72-V76 WeakPolarHBondContact O-CB 3.42Å; G72-V76 WeakPolarHBondContact O-CG2 3.28Å; G72-V76 PolarHBondContact O-N 2.94Å; G72-F112 VanDerWaalsContact CA-CD2 3.41Å |
| 73 | T | 90.6 | Very high | 90.1 | Very high | 11 Ų | 11 | 28.7 Ų | 28.7 | 7% | 0.067 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.7 | -46 | 176 | -57.1 | 0 | 0 | 0 | 0 | 111.5 | F28 V32 D69 L70 S77 | F28-T73 HydrophobicContact CD2-CG2 3.84Å; F28-T73 HydrophobicContact CE2-CG2 4.31Å; V32-T73 HydrophobicContact CG2-CG2 3.86Å; D69-T73 VanDerWaalsContact O-CB 3.29Å; D69-T73 WeakPolarHBondContact O-CB 3.29Å; D69-T73 PolarHBondContact O-N 2.99Å; D69-T73 PolarHBondContact O-OG1 3.3Å; L70-T73 PolarHBondContact O-N 3.05Å; T73-S77 WeakPolarHBondContact O-CB 3.38Å; T73-S77 PolarHBondContact O-N 2.89Å; T73-S77 PolarHBondContact O-OG 3.21Å; T73-S77 VanDerWaalsContact O-OG 3.07Å |
| 74 | C | 91.3 | Very high | 89.9 | Confident | 60 Ų | 60 | 28.2 Ų | 28.2 | 41% | 0.405 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -74.3 | -25.9 | -179.2 | -71.1 | 0 | 0 | 0 | 0 | 114.3 | L70 M71 G72 P78 | L70-C74 WeakPolarHBondContact O-CB 3.38Å; L70-C74 PolarHBondContact O-N 3.34Å; L70-C74 PolarHBondContact O-SG 3.2Å; L70-C74 VanDerWaalsContact O-SG 3.37Å; M71-C74 PolarHBondContact O-N 3.31Å; G72-C74 VanDerWaalsContact C-N 3.34Å; G72-C74 PolarHBondContact O-N 3.5Å; C74-P78 VanDerWaalsContact O-CD 3.23Å; C74-P78 WeakPolarHBondContact O-CD 3.23Å; C74-P78 VanDerWaalsContact O-CG 3.26Å; C74-P78 WeakPolarHBondContact O-CG 3.38Å |
| 75 | L | 91.9 | Very high | 89.6 | Confident | 61 Ų | 61 | 31.1 Ų | 31.1 | 32% | 0.319 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -93.3 | -17.9 | -178.9 | -67.7 | 168 | 0 | 0 | 0 | 113.4 | M71 G72 F79 F112 | M71-L75 HydrophobicContact CB-CD1 4.4Å; M71-L75 VanDerWaalsContact O-CB 3.26Å; M71-L75 WeakPolarHBondContact O-CB 3.46Å; M71-L75 WeakPolarHBondContact O-CD1 3.5Å; M71-L75 WeakPolarHBondContact O-CG 3.27Å; M71-L75 PolarHBondContact O-N 3.35Å; G72-L75 PolarHBondContact O-N 3.29Å; L75-F79 WeakPolarHBondContact O-CD2 3.21Å; L75-F79 WeakPolarHBondContact O-CE2 3.45Å; L75-F112 HydrophobicContact CB-CE2 4.29Å; L75-F112 HydrophobicContact CD1-CE2 3.72Å; L75-F112 HydrophobicContact CD1-CZ 3.54Å |
| 76 | V | 90.2 | Very high | 89.2 | Confident | 11 Ų | 11 | 37.8 Ų | 37.8 | 7% | 0.067 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -104.7 | -53 | 179.1 | 177.6 | 0 | 0 | 0 | 0 | 111.5 | G72 F79 F105 C108 M109 | G72-V76 VanDerWaalsContact O-CB 3.3Å; G72-V76 WeakPolarHBondContact O-CB 3.42Å; G72-V76 WeakPolarHBondContact O-CG2 3.28Å; G72-V76 PolarHBondContact O-N 2.94Å; V76-F79 PolarHBondContact O-N 3.41Å; V76-F105 HydrophobicContact CB-CE2 4.48Å; V76-F105 HydrophobicContact CG1-CD2 4.15Å; V76-F105 HydrophobicContact CG1-CE1 4.19Å; V76-F105 HydrophobicContact CG1-CE2 3.43Å; V76-F105 VanDerWaalsContact CG1-CE2 3.43Å; V76-F105 HydrophobicContact CG1-CZ 3.47Å; V76-F105 VanDerWaalsContact CG1-CZ 3.47Å; V76-C108 HydrophobicContact CG2-CB 3.87Å; V76-M109 HydrophobicContact CG1-CG 4.05Å; V76-M109 HydrophobicContact CG1-SD 3.78Å; V76-M109 HydrophobicContact CG2-CG 4.22Å; V76-M109 HydrophobicContact CG2-SD 4.32Å |
| 77 | S | 87.4 | Confident | 88.8 | Confident | 24 Ų | 24 | 42.1 Ų | 42.1 | 17% | 0.168 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.7 | -36.1 | -167.6 | -54.7 | 0 | 0 | 0 | 0 | 115.8 | T73 F79 V80 L81 | T73-S77 WeakPolarHBondContact O-CB 3.38Å; T73-S77 PolarHBondContact O-N 2.89Å; T73-S77 PolarHBondContact O-OG 3.21Å; T73-S77 VanDerWaalsContact O-OG 3.07Å; S77-F79 VanDerWaalsContact C-N 3.25Å; S77-F79 PolarHBondContact O-N 3.41Å; S77-V80 WeakPolarHBondContact O-CB 3.44Å; S77-V80 PolarHBondContact O-N 3.07Å; S77-L81 WeakPolarHBondContact O-CG 3.38Å; S77-L81 PolarHBondContact O-N 3.14Å |
| 78 | P | 88.8 | Confident | 88.3 | Confident | 52 Ų | 52 | 41 Ų | 41 | 34% | 0.338 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.8 | -32.6 | 176.8 | -27.5 | 38.3 | 0 | 0 | 0 | 113.5 | F28 C74 L81 A82 | F28-P78 HydrophobicContact CE2-CG 4.3Å; F28-P78 HydrophobicContact CZ-CG 4.47Å; C74-P78 VanDerWaalsContact O-CD 3.23Å; C74-P78 WeakPolarHBondContact O-CD 3.23Å; C74-P78 VanDerWaalsContact O-CG 3.26Å; C74-P78 WeakPolarHBondContact O-CG 3.38Å; P78-L81 PolarHBondContact O-N 3.36Å; P78-A82 VanDerWaalsContact O-CB 3.28Å; P78-A82 WeakPolarHBondContact O-CB 3.32Å; P78-A82 PolarHBondContact O-N 3.13Å |
| 79 | F | 86.7 | Confident | 87.8 | Confident | 54 Ų | 54 | 41 Ų | 41 | 24% | 0.237 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.1 | -41.1 | 175.2 | -66 | -86 | 0 | 0 | 0 | 111.7 | L75 V76 S77 L81 A82 A83 M101 Y104 F105 | L75-F79 WeakPolarHBondContact O-CD2 3.21Å; L75-F79 WeakPolarHBondContact O-CE2 3.45Å; V76-F79 PolarHBondContact O-N 3.41Å; S77-F79 VanDerWaalsContact C-N 3.25Å; S77-F79 PolarHBondContact O-N 3.41Å; F79-L81 VanDerWaalsContact C-N 3.32Å; F79-L81 PolarHBondContact O-N 3.3Å; F79-A82 PolarHBondContact O-N 2.91Å; F79-A83 WeakPolarHBondContact O-CB 3.31Å; F79-A83 PolarHBondContact O-N 2.99Å; F79-M101 HydrophobicContact CD1-SD 4.29Å; F79-M101 HydrophobicContact CE1-CE 4.17Å; F79-M101 HydrophobicContact CE1-SD 3.88Å; F79-Y104 HydrophobicContact CD2-CE1 4.42Å; F79-Y104 AromaticContact CE2-CE1 3.74Å; F79-Y104 HydrophobicContact CE2-CE1 3.74Å; F79-Y104 AromaticContact CZ-CE1 3.94Å; F79-Y104 HydrophobicContact CZ-CE1 3.94Å; F79-F105 HydrophobicContact CB-CD2 4.26Å; F79-F105 HydrophobicContact CB-CE2 4.49Å |
| 80 | V | 86.9 | Confident | 87.3 | Confident | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.024 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.1 | -43.5 | 173.7 | -172.9 | 0 | 0 | 0 | 0 | 110.9 | S24 S77 A83 Y84 F105 | S24-V80 WeakPolarHBondContact OG-CG1 3.31Å; S77-V80 WeakPolarHBondContact O-CB 3.44Å; S77-V80 PolarHBondContact O-N 3.07Å; V80-A83 PolarHBondContact O-N 3.33Å; V80-Y84 HydrophobicContact CG1-CD2 4.13Å; V80-Y84 HydrophobicContact CG1-CE2 3.77Å; V80-Y84 WeakPolarHBondContact O-CD2 3.47Å; V80-Y84 PolarHBondContact O-N 3.08Å; V80-F105 HydrophobicContact CG2-CE2 3.57Å; V80-F105 HydrophobicContact CG2-CZ 3.75Å |
| 81 | L | 86.7 | Confident | 86.8 | Confident | 46 Ų | 46 | 41.1 Ų | 41.1 | 24% | 0.241 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.4 | -39.9 | 178.1 | -66.8 | 174.7 | 0 | 0 | 0 | 112.4 | A25 F28 S77 P78 F79 A83 Y84 S85 | A25-L81 HydrophobicContact CB-CD2 4.04Å; F28-L81 HydrophobicContact CB-CD1 4.24Å; F28-L81 HydrophobicContact CD1-CD1 3.63Å; F28-L81 HydrophobicContact CE1-CD1 4.17Å; F28-L81 HydrophobicContact CG-CD1 4.01Å; S77-L81 WeakPolarHBondContact O-CG 3.38Å; S77-L81 PolarHBondContact O-N 3.14Å; P78-L81 PolarHBondContact O-N 3.36Å; F79-L81 VanDerWaalsContact C-N 3.32Å; F79-L81 PolarHBondContact O-N 3.3Å; L81-A83 VanDerWaalsContact C-N 3.34Å; L81-Y84 PolarHBondContact O-N 3.19Å; L81-S85 PolarHBondContact O-N 3.02Å |
| 82 | A | 86.5 | Confident | 86.2 | Confident | 25 Ų | 25 | 38.9 Ų | 38.9 | 21% | 0.207 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.7 | -45.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | P78 F79 Y84 S85 F86 M93 | P78-A82 VanDerWaalsContact O-CB 3.28Å; P78-A82 WeakPolarHBondContact O-CB 3.32Å; P78-A82 PolarHBondContact O-N 3.13Å; F79-A82 PolarHBondContact O-N 2.91Å; A82-Y84 PolarHBondContact O-N 3.37Å; A82-S85 WeakPolarHBondContact CA-OG 3.37Å; A82-S85 PolarHBondContact O-N 3.47Å; A82-S85 PolarHBondContact O-OG 2.95Å; A82-F86 HydrophobicContact CB-CD2 4.25Å; A82-F86 HydrophobicContact CB-CE2 4.17Å; A82-F86 WeakPolarHBondContact O-CD2 3.24Å; A82-F86 PolarHBondContact O-N 2.87Å; A82-M93 HydrophobicContact CB-CE 3.88Å |
| 83 | A | 86.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56 | -50.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | I16 F79 V80 L81 S85 F86 N87 T88 I90 M93 T178 | I16-A83 VanDerWaalsContact CD1-C 3.48Å; I16-A83 HydrophobicContact CD1-CB 4.1Å; I16-A83 VanDerWaalsContact CD1-O 3.25Å; I16-A83 WeakPolarHBondContact CD1-O 3.4Å; F79-A83 WeakPolarHBondContact O-CB 3.31Å; F79-A83 PolarHBondContact O-N 2.99Å; V80-A83 PolarHBondContact O-N 3.33Å; L81-A83 VanDerWaalsContact C-N 3.34Å; A83-S85 VanDerWaalsContact C-N 3.31Å; A83-S85 PolarHBondContact O-N 3.47Å; A83-F86 PolarHBondContact O-N 2.94Å; A83-N87 WeakPolarHBondContact O-CA 3.33Å; A83-N87 PolarHBondContact O-N 2.88Å; A83-T88 WeakPolarHBondContact CA-O 3.49Å; A83-T88 WeakPolarHBondContact CB-O 3.34Å; A83-T88 PolarHBondContact O-N 2.89Å; A83-I90 HydrophobicContact CB-CG1 4.37Å; A83-M93 HydrophobicContact CB-CE 3.55Å; A83-T178 HydrophobicContact CB-CG2 3.87Å |
| 84 | Y | 84.6 | Confident | 85 | Confident | 30 Ų | 30 | 44.5 Ų | 44.5 | 12% | 0.118 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.4 | -29.4 | 174.4 | -73.4 | -60 | 0 | 0 | 0 | 114.2 | I16 P21 V80 L81 A82 N87 T178 | I16-Y84 HydrophobicContact CD1-CD1 4.21Å; I16-Y84 HydrophobicContact CG2-CD1 4.39Å; I16-Y84 HydrophobicContact CG2-CE1 4.21Å; P21-Y84 HydrophobicContact CB-CD2 3.98Å; P21-Y84 HydrophobicContact CB-CG 3.88Å; V80-Y84 HydrophobicContact CG1-CD2 4.13Å; V80-Y84 HydrophobicContact CG1-CE2 3.77Å; V80-Y84 WeakPolarHBondContact O-CD2 3.47Å; V80-Y84 PolarHBondContact O-N 3.08Å; L81-Y84 PolarHBondContact O-N 3.19Å; A82-Y84 PolarHBondContact O-N 3.37Å; Y84-N87 PolarHBondContact O-OD1 3.36Å; Y84-T178 HydrophobicContact CD1-CG2 4.15Å; Y84-T178 HydrophobicContact CD2-CG2 4.32Å; Y84-T178 HydrophobicContact CE1-CG2 3.78Å; Y84-T178 HydrophobicContact CE2-CG2 3.99Å; Y84-T178 HydrophobicContact CG-CG2 4.38Å; Y84-T178 PolarHBondContact OH-OG1 2.9Å; Y84-T178 VanDerWaalsContact OH-OG1 3.08Å |
| 85 | S | 85 | Confident | 84.3 | Confident | 79 Ų | 79 | 49.7 Ų | 49.7 | 55% | 0.552 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -76.5 | -31.2 | 177.8 | 70.1 | 0 | 0 | 0 | 0 | 113.7 | L81 A82 A83 | L81-S85 PolarHBondContact O-N 3.02Å; A82-S85 WeakPolarHBondContact CA-OG 3.37Å; A82-S85 PolarHBondContact O-N 3.47Å; A82-S85 PolarHBondContact O-OG 2.95Å; A83-S85 VanDerWaalsContact C-N 3.31Å; A83-S85 PolarHBondContact O-N 3.47Å |
| 86 | F | 83.7 | Confident | 83.5 | Confident | 145 Ų | 145 | 48.6 Ų | 48.6 | 64% | 0.636 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -95.6 | -8.3 | 179.4 | -63.5 | -57.7 | 0 | 0 | 0 | 113.3 | A82 A83 T88 | A82-F86 HydrophobicContact CB-CD2 4.25Å; A82-F86 HydrophobicContact CB-CE2 4.17Å; A82-F86 WeakPolarHBondContact O-CD2 3.24Å; A82-F86 PolarHBondContact O-N 2.87Å; A83-F86 PolarHBondContact O-N 2.94Å; F86-T88 HydrophobicContact CB-CG2 4.46Å; F86-T88 WeakPolarHBondContact CB-OG1 3.49Å; F86-T88 PolarHBondContact O-N 3.46Å |
| 87 | N | 82.6 | Confident | 82.8 | Confident | 94 Ų | 94 | 55.9 Ų | 55.9 | 50% | 0.503 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 25.9 | -171.7 | -60 | -52.3 | 0 | 0 | 0 | 113.7 | H15 I16 A83 Y84 | H15-N87 WeakPolarHBondContact CA-O 3.49Å; H15-N87 PolarHBondContact ND1-O 3.43Å; I16-N87 PolarHBondContact N-O 3.42Å; A83-N87 WeakPolarHBondContact O-CA 3.33Å; A83-N87 PolarHBondContact O-N 2.88Å; Y84-N87 PolarHBondContact O-OD1 3.36Å |
| 88 | T | 82.4 | Confident | 82.3 | Confident | 30 Ų | 30 | 58.2 Ų | 58.2 | 18% | 0.184 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -111 | 146 | 177.4 | 52.2 | 0 | 0 | 0 | 0 | 110.1 | I16 A83 F86 | I16-T88 WeakPolarHBondContact CD1-O 3.45Å; A83-T88 WeakPolarHBondContact CA-O 3.49Å; A83-T88 WeakPolarHBondContact CB-O 3.34Å; A83-T88 PolarHBondContact O-N 2.89Å; F86-T88 HydrophobicContact CB-CG2 4.46Å; F86-T88 WeakPolarHBondContact CB-OG1 3.49Å; F86-T88 PolarHBondContact O-N 3.46Å |
| 89 | T | 83.1 | Confident | 82 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | trans | -75.7 | 162.7 | 175 | 62 | 0 | 0 | 0 | 0 | 111.5 | N13 L14 I16 I91 S92 M93 Q173 G177 | N13-T89 WeakPolarHBondContact O-CB 3.33Å; N13-T89 WeakPolarHBondContact O-CG2 3.27Å; N13-T89 PolarHBondContact O-OG1 2.91Å; L14-T89 WeakPolarHBondContact CA-OG1 3.46Å; L14-T89 PolarHBondContact O-N 3.49Å; L14-T89 PolarHBondContact O-OG1 2.92Å; I16-T89 HydrophobicContact CG1-CG2 4.12Å; T89-I91 VanDerWaalsContact C-N 3.26Å; T89-I91 PolarHBondContact O-N 2.72Å; T89-S92 PolarHBondContact O-N 3.12Å; T89-M93 PolarHBondContact O-N 2.9Å; T89-Q173 VanDerWaalsContact CB-OE1 3.29Å; T89-Q173 PolarHBondContact OG1-OE1 3.28Å; T89-G177 WeakPolarHBondContact CA-O 3.2Å; T89-G177 VanDerWaalsContact CB-O 3.29Å; T89-G177 WeakPolarHBondContact CB-O 3.34Å | ||
| 90 | I | 82.4 | Confident | 82 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -61.1 | -37.5 | -177.6 | -68.5 | -179.2 | 0 | 0 | 0 | 111.4 | A83 S92 M93 M101 F105 G177 T178 | A83-I90 HydrophobicContact CB-CG1 4.37Å; I90-S92 VanDerWaalsContact C-N 3.28Å; I90-S92 PolarHBondContact O-N 2.69Å; I90-M93 PolarHBondContact O-N 2.96Å; I90-M101 HydrophobicContact CG2-CB 4.08Å; I90-F105 HydrophobicContact CD1-CD1 4.47Å; I90-F105 HydrophobicContact CD1-CD2 3.57Å; I90-F105 HydrophobicContact CD1-CE2 3.6Å; I90-F105 HydrophobicContact CD1-CG 4.01Å; I90-F105 HydrophobicContact CD1-CZ 4.09Å; I90-F105 HydrophobicContact CG2-CB 4.46Å; I90-G177 PolarHBondContact N-O 3.34Å; I90-G177 VanDerWaalsContact N-O 3.09Å; I90-T178 VanDerWaalsContact CD1-O 3.28Å; I90-T178 WeakPolarHBondContact CD1-O 3.37Å |
| 91 | I | 81.7 | Confident | 82 | Confident | 39 Ų | 39 | 59.1 Ų | 59.1 | 20% | 0.2 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -59.6 | -39.9 | 173.4 | -70.1 | 177.3 | 0 | 0 | 0 | 111.1 | T89 M93 P99 C102 Q173 | T89-I91 VanDerWaalsContact C-N 3.26Å; T89-I91 PolarHBondContact O-N 2.72Å; I91-M93 VanDerWaalsContact C-N 3.29Å; I91-M93 PolarHBondContact O-N 3.2Å; I91-P99 HydrophobicContact CB-CB 4.38Å; I91-P99 HydrophobicContact CD1-CG 4.49Å; I91-P99 HydrophobicContact CG1-CB 4.02Å; I91-P99 HydrophobicContact CG1-CG 4.34Å; I91-P99 HydrophobicContact CG2-CB 3.97Å; I91-C102 HydrophobicContact CG1-CB 3.79Å; I91-Q173 HydrophobicContact CD1-CB 3.57Å; I91-Q173 HydrophobicContact CD1-CG 4.33Å; I91-Q173 HydrophobicContact CG1-CB 4.28Å |
| 92 | S | 79.3 | Confident | 82.1 | Confident | 43 Ų | 43 | 56.9 Ų | 56.9 | 30% | 0.301 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -77.4 | -4.6 | -176.1 | -168.6 | 0 | 0 | 0 | 0 | 114.8 | L14 T89 I90 | L14-S92 WeakPolarHBondContact O-CB 3.48Å; T89-S92 PolarHBondContact O-N 3.12Å; I90-S92 VanDerWaalsContact C-N 3.28Å; I90-S92 PolarHBondContact O-N 2.69Å |
| 93 | M | 78.4 | Confident | 82.3 | Confident | 53 Ų | 53 | 58 Ų | 58 | 26% | 0.261 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -74.2 | -32.1 | -179.1 | -71.5 | -170.6 | 175.6 | 0 | 0 | 114 | A82 A83 T89 I90 I91 | A82-M93 HydrophobicContact CB-CE 3.88Å; A83-M93 HydrophobicContact CB-CE 3.55Å; T89-M93 PolarHBondContact O-N 2.9Å; I90-M93 PolarHBondContact O-N 2.96Å; I91-M93 VanDerWaalsContact C-N 3.29Å; I91-M93 PolarHBondContact O-N 3.2Å |
| 94 | I | 79.9 | Confident | 82.6 | Confident | 83 Ų | 83 | 61.9 Ų | 61.9 | 43% | 0.426 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -135.6 | 113 | 172.7 | -64.8 | -169.2 | 0 | 0 | 0 | 107.3 | S96 M101 | I94-S96 PolarHBondContact O-N 3.35Å; I94-S96 PolarHBondContact O-OG 3.31Å; I94-M101 HydrophobicContact CB-CG 4.1Å; I94-M101 HydrophobicContact CD1-CE 3.34Å; I94-M101 HydrophobicContact CD1-CG 4.06Å; I94-M101 HydrophobicContact CG1-CE 4Å; I94-M101 HydrophobicContact CG1-CG 3.94Å |
| 95 | D | 75.1 | Confident | 82.9 | Confident | 169 Ų | 169 | 60.6 Ų | 60.6 | 90% | 0.904 | 33% | 0.333 | S | S | * | . | trans | -62.4 | 101.2 | 171.1 | -170 | 18.4 | 0 | 0 | 0 | 109.2 | ||||
| 96 | S | 76.4 | Confident | 83.2 | Confident | 38 Ų | 38 | 56.8 Ų | 56.8 | 27% | 0.266 | 31% | 0.307 | S | S | . | . | trans | -151.9 | 140.1 | -173.7 | 48.8 | 0 | 0 | 0 | 0 | 108.7 | I94 P98 P99 A100 | I94-S96 PolarHBondContact O-N 3.35Å; I94-S96 PolarHBondContact O-OG 3.31Å; S96-P98 CarbonylContact C-O 3.56Å; S96-P98 CarbonylContact O-C 3.56Å; S96-P99 WeakPolarHBondContact O-CA 3.47Å; S96-A100 PolarHBondContact OG-N 2.84Å | ||
| 97 | N | 75.9 | Confident | 83.7 | Confident | 165 Ų | 165 | 52.2 Ų | 52.2 | 88% | 0.882 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -132.5 | 107.6 | 179.3 | -170 | 5.8 | 0 | 0 | 0 | 108.7 | ||
| 98 | P | 75.3 | Confident | 84.2 | Confident | 73 Ų | 73 | 48 Ų | 48 | 47% | 0.474 | 26% | 0.264 | S | S | . | . | S | Bend | cis | -68.4 | 163.4 | 2.8 | 31.6 | -37.7 | 0 | 0 | 0 | 113.7 | S96 A100 E103 | S96-P98 CarbonylContact C-O 3.56Å; S96-P98 CarbonylContact O-C 3.56Å; P98-A100 PolarHBondContact O-N 3.41Å; P98-E103 VanDerWaalsContact CB-OE1 3.31Å; P98-E103 WeakPolarHBondContact CB-OE1 3.35Å; P98-E103 VanDerWaalsContact CG-OE1 3.27Å; P98-E103 WeakPolarHBondContact CG-OE1 3.43Å |
| 99 | P | 83.4 | Confident | 84.7 | Confident | 34 Ų | 34 | 47.3 Ų | 47.3 | 22% | 0.221 | 26% | 0.26 | C | S | . | . | trans | -75.6 | 85.3 | -172.9 | 31.2 | -36.7 | 0 | 0 | 0 | 112.4 | I91 S96 M101 C102 E103 | I91-P99 HydrophobicContact CB-CB 4.38Å; I91-P99 HydrophobicContact CD1-CG 4.49Å; I91-P99 HydrophobicContact CG1-CB 4.02Å; I91-P99 HydrophobicContact CG1-CG 4.34Å; I91-P99 HydrophobicContact CG2-CB 3.97Å; S96-P99 WeakPolarHBondContact O-CA 3.47Å; P99-M101 PolarHBondContact O-N 3.5Å; P99-C102 HydrophobicContact CB-CB 4.21Å; P99-C102 HydrophobicContact CG-CB 4.19Å; P99-C102 WeakPolarHBondContact O-CA 3.32Å; P99-C102 WeakPolarHBondContact O-CB 3.35Å; P99-C102 PolarHBondContact O-N 3.47Å; P99-E103 PolarHBondContact O-N 2.84Å | ||
| 100 | A | 86.6 | Confident | 85.2 | Confident | 50 Ų | 50 | 47.3 Ų | 47.3 | 41% | 0.413 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -55.2 | -30.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | S96 P98 Y104 | S96-A100 PolarHBondContact OG-N 2.84Å; P98-A100 PolarHBondContact O-N 3.41Å; A100-Y104 VanDerWaalsContact O-CB 3.28Å; A100-Y104 WeakPolarHBondContact O-CB 3.46Å; A100-Y104 PolarHBondContact O-N 3.36Å |
| 101 | M | 87.3 | Confident | 85.8 | Confident | 44 Ų | 44 | 48.7 Ų | 48.7 | 22% | 0.217 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.4 | -34.1 | 175.1 | -82.3 | -67.9 | 175.9 | 0 | 0 | 113.2 | F79 I90 I94 P99 F105 | F79-M101 HydrophobicContact CD1-SD 4.29Å; F79-M101 HydrophobicContact CE1-CE 4.17Å; F79-M101 HydrophobicContact CE1-SD 3.88Å; I90-M101 HydrophobicContact CG2-CB 4.08Å; I94-M101 HydrophobicContact CB-CG 4.1Å; I94-M101 HydrophobicContact CD1-CE 3.34Å; I94-M101 HydrophobicContact CD1-CG 4.06Å; I94-M101 HydrophobicContact CG1-CE 4Å; I94-M101 HydrophobicContact CG1-CG 3.94Å; P99-M101 PolarHBondContact O-N 3.5Å; M101-F105 VanDerWaalsContact O-CB 3.29Å; M101-F105 WeakPolarHBondContact O-CB 3.26Å; M101-F105 PolarHBondContact O-N 3.37Å |
| 102 | C | 89.1 | Confident | 86.4 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -74 | -41 | 176.6 | -168.2 | 0 | 0 | 0 | 0 | 110.9 | I91 P99 F105 G106 C180 | I91-C102 HydrophobicContact CG1-CB 3.79Å; P99-C102 HydrophobicContact CB-CB 4.21Å; P99-C102 HydrophobicContact CG-CB 4.19Å; P99-C102 WeakPolarHBondContact O-CA 3.32Å; P99-C102 WeakPolarHBondContact O-CB 3.35Å; P99-C102 PolarHBondContact O-N 3.47Å; C102-F105 PolarHBondContact O-N 2.99Å; C102-G106 PolarHBondContact O-N 3.24Å; C102-C180 WeakPolarHBondContact CA-SG 3.49Å; C102-C180 HydrophobicContact CB-CB 4Å; C102-C180 WeakPolarHBondContact CB-SG 3.43Å; C102-C180 WeakPolarHBondContact O-CB 3.49Å; C102-C180 WeakPolarHBondContact SG-CB 3.3Å; C102-C180 CovalentContact SG-SG 2.04Å; C102-C180 PolarHBondContact SG-SG 3.23Å |
| 103 | E | 90.4 | Very high | 87 | Confident | 47 Ų | 47 | 46.3 Ų | 46.3 | 22% | 0.22 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61 | -47.6 | 172.5 | -62.9 | 179 | 159.6 | 0 | 0 | 112.1 | P98 P99 G106 F107 F165 Y171 | P98-E103 VanDerWaalsContact CB-OE1 3.31Å; P98-E103 WeakPolarHBondContact CB-OE1 3.35Å; P98-E103 VanDerWaalsContact CG-OE1 3.27Å; P98-E103 WeakPolarHBondContact CG-OE1 3.43Å; P99-E103 PolarHBondContact O-N 2.84Å; E103-G106 PolarHBondContact O-N 2.69Å; E103-F107 VanDerWaalsContact O-CB 3.22Å; E103-F107 WeakPolarHBondContact O-CB 3.14Å; E103-F107 PolarHBondContact O-N 3Å; E103-F165 HydrophobicContact CB-CE1 3.83Å; E103-F165 HydrophobicContact CB-CZ 4.01Å; E103-F165 HydrophobicContact CG-CE1 4.35Å; E103-Y171 HydrophobicContact CB-CD2 4.33Å |
| 104 | Y | 91.4 | Very high | 87.8 | Confident | 83 Ų | 83 | 44 Ų | 44 | 33% | 0.325 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.6 | -47.5 | 176.2 | 170 | -94.6 | 0 | 0 | 0 | 111.8 | F79 A100 F107 C108 | F79-Y104 HydrophobicContact CD2-CE1 4.42Å; F79-Y104 AromaticContact CE2-CE1 3.74Å; F79-Y104 HydrophobicContact CE2-CE1 3.74Å; F79-Y104 AromaticContact CZ-CE1 3.94Å; F79-Y104 HydrophobicContact CZ-CE1 3.94Å; A100-Y104 VanDerWaalsContact O-CB 3.28Å; A100-Y104 WeakPolarHBondContact O-CB 3.46Å; A100-Y104 PolarHBondContact O-N 3.36Å; Y104-F107 PolarHBondContact O-N 3.23Å; Y104-C108 VanDerWaalsContact CZ-SG 3.56Å; Y104-C108 WeakPolarHBondContact O-CB 3.4Å; Y104-C108 PolarHBondContact O-N 3.17Å; Y104-C108 PolarHBondContact O-SG 3.02Å |
| 105 | F | 91.9 | Very high | 88.5 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.009 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.1 | -45 | 179.2 | -175.5 | -77.8 | 0 | 0 | 0 | 111.6 | V76 F79 V80 I90 M101 C102 C108 M109 W179 C180 | V76-F105 HydrophobicContact CB-CE2 4.48Å; V76-F105 HydrophobicContact CG1-CD2 4.15Å; V76-F105 HydrophobicContact CG1-CE1 4.19Å; V76-F105 HydrophobicContact CG1-CE2 3.43Å; V76-F105 VanDerWaalsContact CG1-CE2 3.43Å; V76-F105 HydrophobicContact CG1-CZ 3.47Å; V76-F105 VanDerWaalsContact CG1-CZ 3.47Å; F79-F105 HydrophobicContact CB-CD2 4.26Å; F79-F105 HydrophobicContact CB-CE2 4.49Å; V80-F105 HydrophobicContact CG2-CE2 3.57Å; V80-F105 HydrophobicContact CG2-CZ 3.75Å; I90-F105 HydrophobicContact CD1-CD1 4.47Å; I90-F105 HydrophobicContact CD1-CD2 3.57Å; I90-F105 HydrophobicContact CD1-CE2 3.6Å; I90-F105 HydrophobicContact CD1-CG 4.01Å; I90-F105 HydrophobicContact CD1-CZ 4.09Å; I90-F105 HydrophobicContact CG2-CB 4.46Å; M101-F105 VanDerWaalsContact O-CB 3.29Å; M101-F105 WeakPolarHBondContact O-CB 3.26Å; M101-F105 PolarHBondContact O-N 3.37Å; C102-F105 PolarHBondContact O-N 2.99Å; F105-C108 PolarHBondContact O-N 2.85Å; F105-M109 HydrophobicContact CD1-CG 4.01Å; F105-M109 HydrophobicContact CE1-CG 3.71Å; F105-M109 HydrophobicContact CZ-CG 4.38Å; F105-M109 WeakPolarHBondContact O-CB 3.34Å; F105-M109 WeakPolarHBondContact O-CG 3.49Å; F105-M109 PolarHBondContact O-N 3.07Å; F105-W179 HydrophobicContact CE1-CB 4.47Å; F105-W179 HydrophobicContact CE1-CE3 4.25Å; F105-W179 HydrophobicContact CZ-CE3 4.11Å; F105-C180 HydrophobicContact CB-CB 4.31Å; F105-C180 HydrophobicContact CD1-CB 3.85Å; F105-C180 VanDerWaalsContact CD1-N 3.35Å; F105-C180 VanDerWaalsContact CD1-O 3.22Å; F105-C180 WeakPolarHBondContact CD1-O 3.14Å; F105-C180 VanDerWaalsContact CE1-N 3.33Å; F105-C180 WeakPolarHBondContact CE1-O 3.13Å; F105-C180 HydrophobicContact CG-CB 4.41Å |
| 106 | G | 92 | Very high | 89.3 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.1 | -47.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | C102 E103 C108 M109 T110 | C102-G106 PolarHBondContact O-N 3.24Å; E103-G106 PolarHBondContact O-N 2.69Å; G106-C108 PolarHBondContact O-N 2.8Å; G106-M109 PolarHBondContact O-N 3.46Å; G106-T110 WeakPolarHBondContact O-CG2 3.23Å; G106-T110 PolarHBondContact O-N 2.99Å; G106-T110 PolarHBondContact O-OG1 3.37Å; G106-T110 VanDerWaalsContact O-OG1 3.14Å |
| 107 | F | 93.6 | Very high | 90 | Very high | 48 Ų | 48 | 30.3 Ų | 30.3 | 21% | 0.211 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.2 | -47.7 | 174.6 | 173.6 | -94.9 | 0 | 0 | 0 | 112.1 | E103 Y104 T110 F111 C161 L162 F165 Y171 | E103-F107 VanDerWaalsContact O-CB 3.22Å; E103-F107 WeakPolarHBondContact O-CB 3.14Å; E103-F107 PolarHBondContact O-N 3Å; Y104-F107 PolarHBondContact O-N 3.23Å; F107-T110 PolarHBondContact O-OG1 2.94Å; F107-T110 VanDerWaalsContact O-OG1 3.1Å; F107-F111 HydrophobicContact CE1-CB 4.45Å; F107-F111 HydrophobicContact CZ-CB 4.47Å; F107-F111 HydrophobicContact CZ-CD2 4.41Å; F107-F111 HydrophobicContact CZ-CG 4.49Å; F107-F111 WeakPolarHBondContact O-CB 3.43Å; F107-F111 PolarHBondContact O-N 3.49Å; F107-C161 HydrophobicContact CD2-CB 3.67Å; F107-C161 WeakPolarHBondContact CD2-O 3.23Å; F107-C161 HydrophobicContact CE2-CB 3.56Å; F107-L162 HydrophobicContact CE2-CD2 4.06Å; F107-L162 HydrophobicContact CE2-CG 4.12Å; F107-F165 HydrophobicContact CB-CE2 4.22Å; F107-F165 HydrophobicContact CB-CZ 4.28Å; F107-F165 AromaticContact CD2-CE2 3.95Å; F107-F165 HydrophobicContact CD2-CE2 3.95Å; F107-F165 HydrophobicContact CG-CE2 4.36Å; F107-Y171 HydrophobicContact CB-CE2 4.43Å |
| 108 | C | 93.7 | Very high | 90.9 | Very high | 5 Ų | 5 | 23.3 Ų | 23.3 | 3% | 0.034 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.9 | -47.9 | 176.6 | -76.5 | 0 | 0 | 0 | 0 | 111.4 | V76 Y104 F105 G106 T110 F111 F112 | V76-C108 HydrophobicContact CG2-CB 3.87Å; Y104-C108 VanDerWaalsContact CZ-SG 3.56Å; Y104-C108 WeakPolarHBondContact O-CB 3.4Å; Y104-C108 PolarHBondContact O-N 3.17Å; Y104-C108 PolarHBondContact O-SG 3.02Å; F105-C108 PolarHBondContact O-N 2.85Å; G106-C108 PolarHBondContact O-N 2.8Å; C108-T110 PolarHBondContact O-N 2.89Å; C108-F111 PolarHBondContact O-N 2.9Å; C108-F112 HydrophobicContact CB-CD2 4.11Å; C108-F112 HydrophobicContact CB-CE2 4.12Å; C108-F112 WeakPolarHBondContact O-CB 3.35Å; C108-F112 WeakPolarHBondContact O-CD2 3.27Å; C108-F112 PolarHBondContact O-N 3.21Å |
| 109 | M | 92.3 | Very high | 91.7 | Very high | 17 Ų | 17 | 19.9 Ų | 19.9 | 8% | 0.084 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.7 | -47.4 | 179 | -82.3 | -73.3 | -71 | 0 | 0 | 112.7 | V76 F105 G106 S113 W179 F181 | V76-M109 HydrophobicContact CG1-CG 4.05Å; V76-M109 HydrophobicContact CG1-SD 3.78Å; V76-M109 HydrophobicContact CG2-CG 4.22Å; V76-M109 HydrophobicContact CG2-SD 4.32Å; F105-M109 HydrophobicContact CD1-CG 4.01Å; F105-M109 HydrophobicContact CE1-CG 3.71Å; F105-M109 HydrophobicContact CZ-CG 4.38Å; F105-M109 WeakPolarHBondContact O-CB 3.34Å; F105-M109 WeakPolarHBondContact O-CG 3.49Å; F105-M109 PolarHBondContact O-N 3.07Å; G106-M109 PolarHBondContact O-N 3.46Å; M109-S113 WeakPolarHBondContact O-CB 3.49Å; M109-S113 PolarHBondContact O-N 3.33Å; M109-W179 HydrophobicContact CE-CE3 4.08Å; M109-W179 HydrophobicContact CE-CZ3 3.85Å; M109-W179 HydrophobicContact SD-CZ3 4.32Å; M109-F181 HydrophobicContact CB-CD2 4.01Å; M109-F181 HydrophobicContact CB-CE2 4.21Å |
| 110 | T | 93.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -70 | -42.6 | 178.8 | 55.6 | 0 | 0 | 0 | 0 | 112 | G106 F107 C108 L114 C161 Y171 F181 I182 Y198 | G106-T110 WeakPolarHBondContact O-CG2 3.23Å; G106-T110 PolarHBondContact O-N 2.99Å; G106-T110 PolarHBondContact O-OG1 3.37Å; G106-T110 VanDerWaalsContact O-OG1 3.14Å; F107-T110 PolarHBondContact O-OG1 2.94Å; F107-T110 VanDerWaalsContact O-OG1 3.1Å; C108-T110 PolarHBondContact O-N 2.89Å; T110-L114 VanDerWaalsContact O-CB 3.3Å; T110-L114 WeakPolarHBondContact O-CB 3.49Å; T110-L114 PolarHBondContact O-N 3.1Å; T110-C161 PolarHBondContact OG1-SG 2.65Å; T110-Y171 HydrophobicContact CG2-CE1 4.02Å; T110-Y171 PolarHBondContact OG1-OH 3.36Å; T110-F181 HydrophobicContact CG2-CD2 4.21Å; T110-F181 HydrophobicContact CG2-CE2 3.59Å; T110-F181 HydrophobicContact CG2-CZ 3.85Å; T110-I182 HydrophobicContact CG2-CD1 3.6Å; T110-I182 HydrophobicContact CG2-CG1 3.49Å; T110-I182 VanDerWaalsContact CG2-CG1 3.49Å; T110-Y198 HydrophobicContact CG2-CE2 4.29Å |
| 111 | F | 95.1 | Very high | 92.3 | Very high | 29 Ų | 29 | 19 Ų | 19 | 13% | 0.127 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.5 | -51.4 | -178.5 | 176.8 | -97.7 | 0 | 0 | 0 | 111.9 | F107 C108 S113 L114 A115 Y154 C157 C161 | F107-F111 HydrophobicContact CE1-CB 4.45Å; F107-F111 HydrophobicContact CZ-CB 4.47Å; F107-F111 HydrophobicContact CZ-CD2 4.41Å; F107-F111 HydrophobicContact CZ-CG 4.49Å; F107-F111 WeakPolarHBondContact O-CB 3.43Å; F107-F111 PolarHBondContact O-N 3.49Å; C108-F111 PolarHBondContact O-N 2.9Å; F111-S113 PolarHBondContact O-N 3.13Å; F111-L114 PolarHBondContact O-N 2.88Å; F111-A115 WeakPolarHBondContact O-CB 3.45Å; F111-A115 PolarHBondContact O-N 2.81Å; F111-Y154 HydrophobicContact CE1-CD1 4.23Å; F111-Y154 WeakPolarHBondContact CE2-O 3.33Å; F111-Y154 AromaticContact CZ-CD1 3.77Å; F111-Y154 HydrophobicContact CZ-CD1 3.77Å; F111-Y154 HydrophobicContact CZ-CG 4.35Å; F111-C157 HydrophobicContact CD2-CB 4.03Å; F111-C157 HydrophobicContact CE2-CB 3.94Å; F111-C161 VanDerWaalsContact CA-SG 3.51Å; F111-C161 HydrophobicContact CB-CB 4.34Å; F111-C161 PolarHBondContact N-SG 2.93Å |
| 112 | F | 93.8 | Very high | 92.5 | Very high | 16 Ų | 16 | 17.7 Ų | 17.7 | 7% | 0.07 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -66.8 | -38.1 | -179.5 | -71.8 | -63 | 0 | 0 | 0 | 111.5 | T68 M71 G72 L75 C108 T116 | T68-F112 HydrophobicContact CG2-CD1 3.8Å; M71-F112 HydrophobicContact CB-CE1 3.75Å; M71-F112 HydrophobicContact CB-CZ 3.99Å; G72-F112 VanDerWaalsContact CA-CD2 3.41Å; L75-F112 HydrophobicContact CB-CE2 4.29Å; L75-F112 HydrophobicContact CD1-CE2 3.72Å; L75-F112 HydrophobicContact CD1-CZ 3.54Å; C108-F112 HydrophobicContact CB-CD2 4.11Å; C108-F112 HydrophobicContact CB-CE2 4.12Å; C108-F112 WeakPolarHBondContact O-CB 3.35Å; C108-F112 WeakPolarHBondContact O-CD2 3.27Å; C108-F112 PolarHBondContact O-N 3.21Å; F112-T116 VanDerWaalsContact O-CB 3.27Å; F112-T116 WeakPolarHBondContact O-CB 3.13Å; F112-T116 PolarHBondContact O-N 2.93Å; F112-T116 PolarHBondContact O-OG1 2.89Å |
| 113 | S | 92.5 | Very high | 92.5 | Very high | 16 Ų | 16 | 18 Ų | 18 | 11% | 0.112 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.2 | -48.4 | 175 | -173.5 | 0 | 0 | 0 | 0 | 112.4 | M109 F111 L117 Y198 L297 | M109-S113 WeakPolarHBondContact O-CB 3.49Å; M109-S113 PolarHBondContact O-N 3.33Å; F111-S113 PolarHBondContact O-N 3.13Å; S113-L117 PolarHBondContact O-N 3.44Å; S113-L117 VanDerWaalsContact O-N 3.1Å; S113-Y198 WeakPolarHBondContact CB-OH 3.29Å; S113-Y198 PolarHBondContact OG-OH 3.1Å; S113-L297 WeakPolarHBondContact OG-CD1 3.03Å |
| 114 | L | 93.9 | Very high | 92.4 | Very high | 6 Ų | 6 | 15.8 Ų | 15.8 | 3% | 0.031 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -70.7 | -35.2 | -179.7 | -173.8 | 61.3 | 0 | 0 | 0 | 112.8 | T110 F111 L117 S118 C157 F160 Y198 V201 L205 | T110-L114 VanDerWaalsContact O-CB 3.3Å; T110-L114 WeakPolarHBondContact O-CB 3.49Å; T110-L114 PolarHBondContact O-N 3.1Å; F111-L114 PolarHBondContact O-N 2.88Å; L114-L117 WeakPolarHBondContact O-CB 3.36Å; L114-S118 WeakPolarHBondContact O-CB 3.14Å; L114-S118 PolarHBondContact O-N 3.46Å; L114-S118 PolarHBondContact O-OG 3.4Å; L114-C157 HydrophobicContact CD2-CB 4.25Å; L114-C157 HydrophobicContact CG-CB 4.33Å; L114-F160 HydrophobicContact CD2-CB 4.07Å; L114-F160 HydrophobicContact CD2-CD1 3.88Å; L114-F160 HydrophobicContact CD2-CG 3.97Å; L114-Y198 HydrophobicContact CB-CE2 4.38Å; L114-V201 HydrophobicContact CD1-CG1 3.73Å; L114-L205 HydrophobicContact CD1-CD1 3.75Å |
| 115 | A | 95.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -67.2 | -48.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | T68 F111 L117 S118 V119 C157 | T68-A115 HydrophobicContact CG2-CB 4.05Å; F111-A115 WeakPolarHBondContact O-CB 3.45Å; F111-A115 PolarHBondContact O-N 2.81Å; A115-L117 VanDerWaalsContact C-N 3.29Å; A115-L117 PolarHBondContact O-N 2.87Å; A115-S118 PolarHBondContact O-N 3.48Å; A115-S118 VanDerWaalsContact O-N 3.13Å; A115-V119 WeakPolarHBondContact O-CG2 3.42Å; A115-V119 PolarHBondContact O-N 3.21Å; A115-C157 HydrophobicContact CB-CB 4.5Å |
| 116 | T | 92.4 | Very high | 92 | Very high | 2 Ų | 2 | 15.7 Ų | 15.7 | 1% | 0.012 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -56 | -44 | 174.8 | -80.5 | 0 | 0 | 0 | 0 | 110.9 | L65 T68 D69 F112 V119 L120 | L65-T116 HydrophobicContact CD1-CG2 3.79Å; T68-T116 WeakPolarHBondContact CG2-OG1 3.39Å; D69-T116 PolarHBondContact OD1-OG1 2.91Å; F112-T116 VanDerWaalsContact O-CB 3.27Å; F112-T116 WeakPolarHBondContact O-CB 3.13Å; F112-T116 PolarHBondContact O-N 2.93Å; F112-T116 PolarHBondContact O-OG1 2.89Å; T116-V119 PolarHBondContact O-N 2.97Å; T116-L120 HydrophobicContact CG2-CD1 4Å; T116-L120 WeakPolarHBondContact O-CB 3.28Å; T116-L120 WeakPolarHBondContact O-CG 3.47Å; T116-L120 PolarHBondContact O-N 2.72Å |
| 117 | L | 91.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -59 | -47.3 | 173 | -106.8 | 173.6 | 0 | 0 | 0 | 114.4 | S113 L114 A115 V119 L120 F121 M202 L205 V206 I209 F264 | S113-L117 PolarHBondContact O-N 3.44Å; S113-L117 VanDerWaalsContact O-N 3.1Å; L114-L117 WeakPolarHBondContact O-CB 3.36Å; A115-L117 VanDerWaalsContact C-N 3.29Å; A115-L117 PolarHBondContact O-N 2.87Å; L117-V119 VanDerWaalsContact C-N 3.3Å; L117-V119 PolarHBondContact O-N 3.22Å; L117-L120 WeakPolarHBondContact O-CB 3.31Å; L117-L120 PolarHBondContact O-N 3.46Å; L117-F121 PolarHBondContact O-N 3.42Å; L117-M202 HydrophobicContact CD1-CB 4.4Å; L117-M202 HydrophobicContact CD1-CE 3.61Å; L117-M202 HydrophobicContact CD1-CG 4.4Å; L117-M202 HydrophobicContact CD1-SD 3.27Å; L117-M202 WeakPolarHBondContact CD1-SD 3.22Å; L117-L205 HydrophobicContact CB-CD1 4.1Å; L117-L205 HydrophobicContact CD1-CD1 4.41Å; L117-L205 HydrophobicContact CD2-CB 4.02Å; L117-V206 HydrophobicContact CD2-CG2 4.19Å; L117-I209 HydrophobicContact CD2-CD1 3.59Å; L117-F264 HydrophobicContact CD1-CE1 3.96Å; L117-F264 HydrophobicContact CD1-CZ 3.69Å; L117-F264 HydrophobicContact CD2-CD1 3.92Å; L117-F264 HydrophobicContact CD2-CE1 3.27Å; L117-F264 HydrophobicContact CD2-CE2 4.08Å; L117-F264 HydrophobicContact CD2-CZ 3.43Å; L117-F264 VanDerWaalsContact CD2-CZ 3.43Å; L117-F264 HydrophobicContact CG-CE1 3.63Å; L117-F264 HydrophobicContact CG-CE2 3.88Å; L117-F264 HydrophobicContact CG-CZ 3.22Å |
| 118 | S | 94.5 | Very high | 91.1 | Very high | 18 Ų | 18 | 14.5 Ų | 14.5 | 13% | 0.126 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -68.2 | -33.2 | -177.4 | -62 | 0 | 0 | 0 | 0 | 111.4 | L114 A115 A122 | L114-S118 WeakPolarHBondContact O-CB 3.14Å; L114-S118 PolarHBondContact O-N 3.46Å; L114-S118 PolarHBondContact O-OG 3.4Å; A115-S118 PolarHBondContact O-N 3.48Å; A115-S118 VanDerWaalsContact O-N 3.13Å; S118-A122 WeakPolarHBondContact O-CB 3.11Å; S118-A122 PolarHBondContact O-N 2.94Å |
| 119 | V | 92.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -68.8 | -41.7 | 170.7 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | T64 L65 A115 T116 L117 F121 A122 M123 I153 Y154 | T64-V119 HydrophobicContact CG2-CG2 4.07Å; L65-V119 HydrophobicContact CB-CG1 3.97Å; L65-V119 HydrophobicContact CD1-CG1 4.31Å; A115-V119 WeakPolarHBondContact O-CG2 3.42Å; A115-V119 PolarHBondContact O-N 3.21Å; T116-V119 PolarHBondContact O-N 2.97Å; L117-V119 VanDerWaalsContact C-N 3.3Å; L117-V119 PolarHBondContact O-N 3.22Å; V119-F121 VanDerWaalsContact C-N 3.35Å; V119-F121 PolarHBondContact O-N 3.34Å; V119-A122 PolarHBondContact O-N 3.32Å; V119-M123 HydrophobicContact CG1-CE 4.4Å; V119-M123 WeakPolarHBondContact O-CG 3.36Å; V119-M123 PolarHBondContact O-N 2.96Å; V119-I153 HydrophobicContact CG2-CG2 4.49Å; V119-Y154 HydrophobicContact CG2-CE2 4.44Å |
| 120 | L | 90 | Very high | 90 | Very high | 6 Ų | 6 | 17 Ų | 17 | 3% | 0.031 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60 | -42.7 | 173.2 | -76.4 | 162.4 | 0 | 0 | 0 | 112 | L65 T116 L117 M123 A124 I209 M260 F264 | L65-L120 HydrophobicContact CD1-CD2 4.47Å; L65-L120 HydrophobicContact CD1-CG 4.07Å; L65-L120 HydrophobicContact CD2-CD2 4.37Å; T116-L120 HydrophobicContact CG2-CD1 4Å; T116-L120 WeakPolarHBondContact O-CB 3.28Å; T116-L120 WeakPolarHBondContact O-CG 3.47Å; T116-L120 PolarHBondContact O-N 2.72Å; L117-L120 WeakPolarHBondContact O-CB 3.31Å; L117-L120 PolarHBondContact O-N 3.46Å; L120-M123 HydrophobicContact CD2-CE 3.71Å; L120-M123 HydrophobicContact CG-CE 4.29Å; L120-M123 PolarHBondContact O-N 3.33Å; L120-A124 PolarHBondContact O-N 2.86Å; L120-I209 HydrophobicContact CB-CD1 4.02Å; L120-M260 HydrophobicContact CD2-CB 4.43Å; L120-F264 HydrophobicContact CD1-CD2 3.35Å; L120-F264 HydrophobicContact CD1-CE2 3.86Å; L120-F264 HydrophobicContact CD1-CG 4.07Å |
| 121 | F | 92.4 | Very high | 89.3 | Confident | 61 Ų | 61 | 18.5 Ų | 18.5 | 27% | 0.268 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -62.2 | -45.2 | 172.7 | 176.2 | -116.9 | 0 | 0 | 0 | 112.4 | L117 V119 M123 A124 L125 L205 A208 I209 | L117-F121 PolarHBondContact O-N 3.42Å; V119-F121 VanDerWaalsContact C-N 3.35Å; V119-F121 PolarHBondContact O-N 3.34Å; F121-M123 VanDerWaalsContact C-N 3.28Å; F121-M123 PolarHBondContact O-N 3.33Å; F121-A124 PolarHBondContact O-N 2.96Å; F121-L125 HydrophobicContact CE1-CD2 4.47Å; F121-L125 HydrophobicContact CZ-CD2 4.36Å; F121-L125 WeakPolarHBondContact O-CB 3.37Å; F121-L125 PolarHBondContact O-N 3.23Å; F121-L205 HydrophobicContact CB-CD2 4.15Å; F121-L205 HydrophobicContact CD1-CD2 4.2Å; F121-L205 HydrophobicContact CG-CD2 4.2Å; F121-A208 HydrophobicContact CD2-CB 3.97Å; F121-A208 HydrophobicContact CE2-CB 3.68Å; F121-A208 HydrophobicContact CZ-CB 4.49Å; F121-I209 HydrophobicContact CB-CD1 4.04Å; F121-I209 HydrophobicContact CB-CG1 3.77Å; F121-I209 HydrophobicContact CD2-CG1 4.1Å; F121-I209 HydrophobicContact CG-CG1 4.44Å |
| 122 | A | 91.6 | Very high | 88.3 | Confident | 15 Ų | 15 | 18.1 Ų | 18.1 | 12% | 0.124 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60 | -37.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L61 S118 V119 E126 I153 | L61-A122 HydrophobicContact CD2-CB 4.22Å; S118-A122 WeakPolarHBondContact O-CB 3.11Å; S118-A122 PolarHBondContact O-N 2.94Å; V119-A122 PolarHBondContact O-N 3.32Å; A122-E126 VanDerWaalsContact O-CB 3.27Å; A122-E126 WeakPolarHBondContact O-CB 3.46Å; A122-E126 PolarHBondContact O-N 2.86Å; A122-I153 HydrophobicContact CB-CD1 3.97Å |
| 123 | M | 87.9 | Confident | 87.5 | Confident | 6 Ų | 6 | 20.5 Ų | 20.5 | 3% | 0.03 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67.6 | -44.3 | 173.7 | -71 | -166.3 | -70.4 | 0 | 0 | 112.7 | F58 L61 V62 L65 V119 L120 F121 L125 E126 R127 L257 | F58-M123 HydrophobicContact CE2-SD 4.46Å; L61-M123 HydrophobicContact CB-CG 3.48Å; L61-M123 VanDerWaalsContact CB-CG 3.48Å; L61-M123 HydrophobicContact CB-SD 4.01Å; L61-M123 HydrophobicContact CD1-CG 3.85Å; L61-M123 HydrophobicContact CG-CG 4.24Å; V62-M123 HydrophobicContact CB-SD 4.4Å; V62-M123 HydrophobicContact CG2-SD 3.49Å; V62-M123 WeakPolarHBondContact CG2-SD 3.5Å; L65-M123 HydrophobicContact CB-CE 4.39Å; L65-M123 HydrophobicContact CD2-CE 3.8Å; L65-M123 HydrophobicContact CG-CE 4.47Å; V119-M123 HydrophobicContact CG1-CE 4.4Å; V119-M123 WeakPolarHBondContact O-CG 3.36Å; V119-M123 PolarHBondContact O-N 2.96Å; L120-M123 HydrophobicContact CD2-CE 3.71Å; L120-M123 HydrophobicContact CG-CE 4.29Å; L120-M123 PolarHBondContact O-N 3.33Å; F121-M123 VanDerWaalsContact C-N 3.28Å; F121-M123 PolarHBondContact O-N 3.33Å; M123-L125 PolarHBondContact O-N 3.03Å; M123-E126 PolarHBondContact O-N 3.37Å; M123-R127 WeakPolarHBondContact O-CG 3.39Å; M123-R127 PolarHBondContact O-N 3.47Å; M123-R127 VanDerWaalsContact O-N 3.07Å; M123-L257 HydrophobicContact CB-CD1 3.8Å |
| 124 | A | 87.9 | Confident | 86.8 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61 | -45 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L120 F121 R127 C128 C212 L257 | L120-A124 PolarHBondContact O-N 2.86Å; F121-A124 PolarHBondContact O-N 2.96Å; A124-R127 PolarHBondContact O-N 3.4Å; A124-C128 PolarHBondContact O-N 3.37Å; A124-C128 PolarHBondContact O-SG 3.46Å; A124-C212 HydrophobicContact CB-CB 3.81Å; A124-L257 HydrophobicContact CB-CD2 4.45Å |
| 125 | L | 89.3 | Confident | 85.9 | Confident | 71 Ų | 71 | 33.3 Ų | 33.3 | 37% | 0.372 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -63.7 | -40.7 | 176.6 | -175.3 | 63.1 | 0 | 0 | 0 | 112.6 | F121 M123 R127 C128 L129 | F121-L125 HydrophobicContact CE1-CD2 4.47Å; F121-L125 HydrophobicContact CZ-CD2 4.36Å; F121-L125 WeakPolarHBondContact O-CB 3.37Å; F121-L125 PolarHBondContact O-N 3.23Å; M123-L125 PolarHBondContact O-N 3.03Å; L125-R127 VanDerWaalsContact C-N 3.33Å; L125-R127 PolarHBondContact O-N 3.18Å; L125-C128 WeakPolarHBondContact O-CB 3.43Å; L125-C128 PolarHBondContact O-N 3.33Å; L125-L129 HydrophobicContact CD1-CD1 4.49Å; L125-L129 HydrophobicContact CD1-CG 4.41Å; L125-L129 HydrophobicContact CG-CD1 4.23Å; L125-L129 WeakPolarHBondContact O-CG 3.05Å; L125-L129 PolarHBondContact O-N 2.64Å |
| 126 | E | 86.3 | Confident | 85 | Confident | 13 Ų | 13 | 38.2 Ų | 38.2 | 6% | 0.061 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.5 | -41.7 | 175.6 | -173.7 | -85.5 | 178 | 0 | 0 | 111.4 | L61 A122 M123 S130 Y137 | L61-E126 HydrophobicContact CD1-CB 4.26Å; L61-E126 HydrophobicContact CD1-CG 4.41Å; A122-E126 VanDerWaalsContact O-CB 3.27Å; A122-E126 WeakPolarHBondContact O-CB 3.46Å; A122-E126 PolarHBondContact O-N 2.86Å; M123-E126 PolarHBondContact O-N 3.37Å; E126-S130 VanDerWaalsContact O-CB 3.28Å; E126-S130 WeakPolarHBondContact O-CB 3.39Å; E126-S130 PolarHBondContact O-N 2.88Å; E126-Y137 HydrophobicContact CG-CE2 4.12Å; E126-Y137 PolarHBondContact OE1-OH 2.86Å |
| 127 | R | 82.9 | Confident | 84.3 | Confident | 10 Ų | 10 | 40.1 Ų | 40.1 | 4% | 0.038 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.3 | -43.5 | 172.7 | -64.9 | -68 | 97.1 | 174.6 | 0.1 | 112.1 | M123 A124 L125 L129 S130 I131 V216 L254 L257 | M123-R127 WeakPolarHBondContact O-CG 3.39Å; M123-R127 PolarHBondContact O-N 3.47Å; M123-R127 VanDerWaalsContact O-N 3.07Å; A124-R127 PolarHBondContact O-N 3.4Å; L125-R127 VanDerWaalsContact C-N 3.33Å; L125-R127 PolarHBondContact O-N 3.18Å; R127-L129 PolarHBondContact O-N 2.96Å; R127-S130 PolarHBondContact O-N 3.42Å; R127-I131 PolarHBondContact O-N 2.88Å; R127-I131 VanDerWaalsContact O-N 3.09Å; R127-V216 HydrophobicContact CB-CG2 4.35Å; R127-L254 HydrophobicContact CB-CD2 3.99Å; R127-L254 HydrophobicContact CG-CD2 3.88Å; R127-L257 HydrophobicContact CG-CD1 4.13Å; R127-L257 HydrophobicContact CG-CD2 4.25Å |
| 128 | C | 84.1 | Confident | 83.3 | Confident | 13 Ų | 13 | 43.3 Ų | 43.3 | 9% | 0.088 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.4 | -49 | 176.5 | -68.9 | 0 | 0 | 0 | 0 | 112.5 | A124 L125 I131 G132 C212 F215 V216 | A124-C128 PolarHBondContact O-N 3.37Å; A124-C128 PolarHBondContact O-SG 3.46Å; L125-C128 WeakPolarHBondContact O-CB 3.43Å; L125-C128 PolarHBondContact O-N 3.33Å; C128-I131 PolarHBondContact O-N 2.88Å; C128-G132 WeakPolarHBondContact O-CA 3.27Å; C128-G132 PolarHBondContact O-N 3.37Å; C128-C212 VanDerWaalsContact SG-C 3.52Å; C128-C212 WeakPolarHBondContact SG-CA 3.33Å; C128-C212 WeakPolarHBondContact SG-CB 3.36Å; C128-C212 PolarHBondContact SG-O 3.5Å; C128-C212 VanDerWaalsContact SG-SG 3.7Å; C128-F215 HydrophobicContact CB-CD1 4.33Å; C128-V216 HydrophobicContact CB-CG2 4.25Å |
| 129 | L | 83.9 | Confident | 82.4 | Confident | 48 Ų | 48 | 52.4 Ų | 52.4 | 25% | 0.251 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.4 | -41.8 | -179.4 | -67.5 | 173.6 | 0 | 0 | 0 | 111.4 | L125 R127 I131 C133 F136 Y137 V141 | L125-L129 HydrophobicContact CD1-CD1 4.49Å; L125-L129 HydrophobicContact CD1-CG 4.41Å; L125-L129 HydrophobicContact CG-CD1 4.23Å; L125-L129 WeakPolarHBondContact O-CG 3.05Å; L125-L129 PolarHBondContact O-N 2.64Å; R127-L129 PolarHBondContact O-N 2.96Å; L129-I131 VanDerWaalsContact C-N 3.35Å; L129-I131 PolarHBondContact O-N 3.12Å; L129-C133 CarbonylContact O-C 3.17Å; L129-C133 WeakPolarHBondContact O-CA 3.42Å; L129-C133 PolarHBondContact O-N 2.71Å; L129-C133 VanDerWaalsContact O-N 3.07Å; L129-F136 HydrophobicContact CD2-CD1 4.25Å; L129-F136 HydrophobicContact CD2-CE1 4.41Å; L129-Y137 HydrophobicContact CB-CD2 3.95Å; L129-V141 HydrophobicContact CD1-CG2 4.23Å |
| 130 | S | 79.1 | Confident | 81.6 | Confident | 27 Ų | 27 | 57 Ų | 57 | 19% | 0.189 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.7 | -40.4 | 178.8 | -173.8 | 0 | 0 | 0 | 0 | 112.9 | E126 R127 | E126-S130 VanDerWaalsContact O-CB 3.28Å; E126-S130 WeakPolarHBondContact O-CB 3.39Å; E126-S130 PolarHBondContact O-N 2.88Å; R127-S130 PolarHBondContact O-N 3.42Å |
| 131 | I | 77.2 | Confident | 80.7 | Confident | 30 Ų | 30 | 58.3 Ų | 58.3 | 15% | 0.154 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -95 | -42.5 | -173.3 | -66.8 | 164.5 | 0 | 0 | 0 | 112.6 | R127 C128 L129 V216 H219 L254 | R127-I131 PolarHBondContact O-N 2.88Å; R127-I131 VanDerWaalsContact O-N 3.09Å; C128-I131 PolarHBondContact O-N 2.88Å; L129-I131 VanDerWaalsContact C-N 3.35Å; L129-I131 PolarHBondContact O-N 3.12Å; I131-V216 HydrophobicContact CD1-CG1 3.58Å; I131-H219 HydrophobicContact CG2-CB 4.29Å; I131-L254 HydrophobicContact CD1-CD1 3.47Å; I131-L254 VanDerWaalsContact CD1-CD1 3.47Å; I131-L254 HydrophobicContact CD1-CD2 3.71Å; I131-L254 HydrophobicContact CD1-CG 4.09Å |
| 132 | G | 75.4 | Confident | 79.7 | Confident | 22 Ų | 22 | 58.7 Ų | 58.7 | 23% | 0.227 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -76.9 | -36.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | C128 | C128-G132 WeakPolarHBondContact O-CA 3.27Å; C128-G132 PolarHBondContact O-N 3.37Å |
| 133 | C | 77.6 | Confident | 78.6 | Confident | 65 Ų | 65 | 63.2 Ų | 63.2 | 44% | 0.439 | 33% | 0.326 | S | S | . | . | trans | -136.8 | 60.3 | -172.8 | -64.6 | 0 | 0 | 0 | 0 | 113 | L129 Y135 F136 Y137 | L129-C133 CarbonylContact O-C 3.17Å; L129-C133 WeakPolarHBondContact O-CA 3.42Å; L129-C133 PolarHBondContact O-N 2.71Å; L129-C133 VanDerWaalsContact O-N 3.07Å; C133-Y135 VanDerWaalsContact C-N 3.25Å; C133-Y135 PolarHBondContact O-N 2.92Å; C133-Y135 VanDerWaalsContact O-N 3.11Å; C133-F136 HydrophobicContact CB-CB 3.99Å; C133-F136 WeakPolarHBondContact O-CB 3.44Å; C133-F136 PolarHBondContact O-N 3.46Å; C133-Y137 PolarHBondContact O-N 3.37Å | ||
| 134 | P | 77.3 | Confident | 78.1 | Confident | 72 Ų | 72 | 72.5 Ų | 72.5 | 47% | 0.468 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58 | -32.2 | -172.9 | 22.2 | -34.5 | 0 | 0 | 0 | 114.2 | G138 | P134-G138 PolarHBondContact O-N 3.14Å |
| 135 | Y | 74.6 | Confident | 77.7 | Confident | 220 Ų | 220 | 74.7 Ų | 74.7 | 86% | 0.863 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -68.7 | -36.1 | 175.1 | -68.6 | -78.4 | 0 | 0 | 0 | 113.1 | C133 | C133-Y135 VanDerWaalsContact C-N 3.25Å; C133-Y135 PolarHBondContact O-N 2.92Å; C133-Y135 VanDerWaalsContact O-N 3.11Å |
| 136 | F | 76.1 | Confident | 77.2 | Confident | 102 Ų | 102 | 71.6 Ų | 71.6 | 45% | 0.447 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -73.3 | -45 | 176.2 | -178.8 | -94.4 | 0 | 0 | 0 | 110.6 | L129 C133 G138 R139 H140 | L129-F136 HydrophobicContact CD2-CD1 4.25Å; L129-F136 HydrophobicContact CD2-CE1 4.41Å; C133-F136 HydrophobicContact CB-CB 3.99Å; C133-F136 WeakPolarHBondContact O-CB 3.44Å; C133-F136 PolarHBondContact O-N 3.46Å; F136-G138 PolarHBondContact O-N 2.86Å; F136-R139 PolarHBondContact O-N 2.86Å; F136-H140 AromaticContact CD2-CE1 3.62Å; F136-H140 AromaticContact CD2-ND1 3.27Å; F136-H140 VanDerWaalsContact CD2-ND1 3.27Å; F136-H140 WeakPolarHBondContact CD2-ND1 3.39Å; F136-H140 HydrophobicContact CE1-CB 4.31Å; F136-H140 AromaticContact CE2-CE1 3.52Å; F136-H140 AromaticContact CE2-CG 3.89Å; F136-H140 AromaticContact CE2-ND1 3.23Å; F136-H140 WeakPolarHBondContact CE2-ND1 3.17Å; F136-H140 AromaticContact CG-ND1 3.81Å; F136-H140 HydrophobicContact CZ-CB 4.21Å; F136-H140 AromaticContact CZ-CG 4Å; F136-H140 AromaticContact CZ-ND1 3.75Å; F136-H140 PolarHBondContact O-N 2.9Å; F136-H140 PolarHBondContact O-ND1 3.23Å |
| 137 | Y | 77 | Confident | 77 | Confident | 42 Ų | 42 | 78.7 Ų | 78.7 | 17% | 0.165 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -54.5 | -52.8 | 175.6 | -176.9 | -84.5 | 0 | 0 | 0 | 111.2 | E126 L129 C133 R139 H140 V141 | E126-Y137 HydrophobicContact CG-CE2 4.12Å; E126-Y137 PolarHBondContact OE1-OH 2.86Å; L129-Y137 HydrophobicContact CB-CD2 3.95Å; C133-Y137 PolarHBondContact O-N 3.37Å; Y137-R139 PolarHBondContact O-N 2.75Å; Y137-R139 VanDerWaalsContact O-N 3.12Å; Y137-H140 PolarHBondContact O-N 3.08Å; Y137-V141 HydrophobicContact CD2-CB 3.78Å; Y137-V141 HydrophobicContact CD2-CG1 3.88Å; Y137-V141 HydrophobicContact CD2-CG2 3.87Å; Y137-V141 HydrophobicContact CE2-CB 3.93Å; Y137-V141 HydrophobicContact CE2-CG1 3.52Å; Y137-V141 HydrophobicContact CE2-CG2 4.36Å; Y137-V141 HydrophobicContact CG-CB 4.08Å; Y137-V141 HydrophobicContact CG-CG2 4.32Å; Y137-V141 WeakPolarHBondContact O-CA 3.29Å; Y137-V141 WeakPolarHBondContact O-CB 3.43Å; Y137-V141 PolarHBondContact O-N 3.35Å |
| 138 | G | 71.7 | Confident | 77.3 | Confident | 68 Ų | 68 | 83.9 Ų | 83.9 | 70% | 0.701 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -63.9 | -17.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | P134 F136 | P134-G138 PolarHBondContact O-N 3.14Å; F136-G138 PolarHBondContact O-N 2.86Å |
| 139 | R | 76.3 | Confident | 77.5 | Confident | 208 Ų | 208 | 85.9 Ų | 85.9 | 79% | 0.785 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -99.9 | -34.6 | -179.5 | -172.5 | 170.3 | 179.6 | 127.8 | -1.1 | 113.7 | F136 Y137 | F136-R139 PolarHBondContact O-N 2.86Å; Y137-R139 PolarHBondContact O-N 2.75Å; Y137-R139 VanDerWaalsContact O-N 3.12Å |
| 140 | H | 74.8 | Confident | 77.9 | Confident | 96 Ų | 96 | 84.9 Ų | 84.9 | 44% | 0.444 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -112.5 | -31.5 | -173.8 | -57.4 | 96.9 | 0 | 0 | 0 | 113.7 | F136 Y137 T142 | F136-H140 AromaticContact CD2-CE1 3.62Å; F136-H140 AromaticContact CD2-ND1 3.27Å; F136-H140 VanDerWaalsContact CD2-ND1 3.27Å; F136-H140 WeakPolarHBondContact CD2-ND1 3.39Å; F136-H140 HydrophobicContact CE1-CB 4.31Å; F136-H140 AromaticContact CE2-CE1 3.52Å; F136-H140 AromaticContact CE2-CG 3.89Å; F136-H140 AromaticContact CE2-ND1 3.23Å; F136-H140 WeakPolarHBondContact CE2-ND1 3.17Å; F136-H140 AromaticContact CG-ND1 3.81Å; F136-H140 HydrophobicContact CZ-CB 4.21Å; F136-H140 AromaticContact CZ-CG 4Å; F136-H140 AromaticContact CZ-ND1 3.75Å; F136-H140 PolarHBondContact O-N 2.9Å; F136-H140 PolarHBondContact O-ND1 3.23Å; Y137-H140 PolarHBondContact O-N 3.08Å; H140-T142 PolarHBondContact O-N 2.99Å; H140-T142 VanDerWaalsContact O-N 3.1Å |
| 141 | V | 71.6 | Confident | 78.6 | Confident | 34 Ų | 34 | 87.1 Ų | 87.1 | 21% | 0.206 | 44% | 0.436 | C | S | . | . | trans | -88.1 | 86.8 | -173.3 | -176.4 | 0 | 0 | 0 | 0 | 109.7 | L57 L129 Y137 | L57-V141 HydrophobicContact CD1-CG1 3.46Å; L57-V141 VanDerWaalsContact CD1-CG1 3.46Å; L129-V141 HydrophobicContact CD1-CG2 4.23Å; Y137-V141 HydrophobicContact CD2-CB 3.78Å; Y137-V141 HydrophobicContact CD2-CG1 3.88Å; Y137-V141 HydrophobicContact CD2-CG2 3.87Å; Y137-V141 HydrophobicContact CE2-CB 3.93Å; Y137-V141 HydrophobicContact CE2-CG1 3.52Å; Y137-V141 HydrophobicContact CE2-CG2 4.36Å; Y137-V141 HydrophobicContact CG-CB 4.08Å; Y137-V141 HydrophobicContact CG-CG2 4.32Å; Y137-V141 WeakPolarHBondContact O-CA 3.29Å; Y137-V141 WeakPolarHBondContact O-CB 3.43Å; Y137-V141 PolarHBondContact O-N 3.35Å | ||
| 142 | T | 71.8 | Confident | 79.5 | Confident | 70 Ų | 70 | 91.9 Ų | 91.9 | 43% | 0.429 | 46% | 0.455 | S | S | . | . | trans | -99.6 | 163.1 | 178.1 | 72.9 | 0 | 0 | 0 | 0 | 111.8 | H140 R144 C145 | H140-T142 PolarHBondContact O-N 2.99Å; H140-T142 VanDerWaalsContact O-N 3.1Å; T142-R144 PolarHBondContact O-N 2.65Å; T142-R144 VanDerWaalsContact O-N 3.08Å; T142-R144 PolarHBondContact OG1-N 3.28Å; T142-C145 WeakPolarHBondContact O-CB 3.16Å; T142-C145 PolarHBondContact O-N 2.89Å | ||
| 143 | K | 68.4 | Low | 80.4 | Confident | 110 Ų | 110 | 91.7 Ų | 91.7 | 48% | 0.478 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -55.1 | -30 | 176 | -53.8 | -168.7 | -172 | -152.4 | 0 | 113.1 | S56 C145 G146 Y147 | S56-K143 VanDerWaalsContact OG-CD 3.22Å; S56-K143 WeakPolarHBondContact OG-CD 3.43Å; S56-K143 WeakPolarHBondContact OG-CE 3.3Å; S56-K143 PolarHBondContact OG-NZ 3.25Å; K143-C145 VanDerWaalsContact C-N 3.31Å; K143-C145 PolarHBondContact O-N 3.25Å; K143-G146 PolarHBondContact O-N 3.45Å; K143-Y147 VanDerWaalsContact O-CD2 3.29Å; K143-Y147 WeakPolarHBondContact O-CD2 3.48Å |
| 144 | R | 76.8 | Confident | 81.3 | Confident | 200 Ų | 200 | 91.1 Ų | 91.1 | 76% | 0.755 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65.6 | -32.4 | 177.7 | -67.4 | -178.4 | 179.4 | 165.4 | -1.1 | 112.3 | T142 G146 Y147 I148 | T142-R144 PolarHBondContact O-N 2.65Å; T142-R144 VanDerWaalsContact O-N 3.08Å; T142-R144 PolarHBondContact OG1-N 3.28Å; R144-G146 VanDerWaalsContact C-N 3.34Å; R144-G146 PolarHBondContact O-N 2.9Å; R144-Y147 PolarHBondContact O-N 2.97Å; R144-I148 WeakPolarHBondContact O-CG1 3.36Å; R144-I148 PolarHBondContact O-N 2.88Å |
| 145 | C | 78.9 | Confident | 82.2 | Confident | 47 Ų | 47 | 93.1 Ų | 93.1 | 32% | 0.318 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -58.9 | -46.1 | 175.6 | -62 | 0 | 0 | 0 | 0 | 110.9 | T142 K143 Y147 I148 T149 | T142-C145 WeakPolarHBondContact O-CB 3.16Å; T142-C145 PolarHBondContact O-N 2.89Å; K143-C145 VanDerWaalsContact C-N 3.31Å; K143-C145 PolarHBondContact O-N 3.25Å; C145-Y147 VanDerWaalsContact C-N 3.34Å; C145-Y147 PolarHBondContact O-N 3.49Å; C145-I148 PolarHBondContact O-N 3.29Å; C145-T149 WeakPolarHBondContact O-CB 3.27Å; C145-T149 PolarHBondContact O-N 3.09Å; C145-T149 PolarHBondContact O-OG1 3.37Å |
| 146 | G | 79.6 | Confident | 83.2 | Confident | 6 Ų | 6 | 86.3 Ų | 86.3 | 6% | 0.062 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -55.8 | -44.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | K143 R144 I148 T149 I150 | K143-G146 PolarHBondContact O-N 3.45Å; R144-G146 VanDerWaalsContact C-N 3.34Å; R144-G146 PolarHBondContact O-N 2.9Å; G146-I148 PolarHBondContact O-N 3.31Å; G146-T149 PolarHBondContact O-N 2.94Å; G146-I150 WeakPolarHBondContact O-CB 3.47Å; G146-I150 WeakPolarHBondContact O-CD1 3.36Å; G146-I150 VanDerWaalsContact O-CG1 3.29Å; G146-I150 WeakPolarHBondContact O-CG1 3.33Å; G146-I150 PolarHBondContact O-N 3.36Å |
| 147 | Y | 81.9 | Confident | 84.1 | Confident | 163 Ų | 163 | 81.5 Ų | 81.5 | 64% | 0.639 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -65.9 | -15.9 | 176.6 | -72.3 | -70 | 0 | 0 | 0 | 114.7 | K143 R144 C145 P151 | K143-Y147 VanDerWaalsContact O-CD2 3.29Å; K143-Y147 WeakPolarHBondContact O-CD2 3.48Å; R144-Y147 PolarHBondContact O-N 2.97Å; C145-Y147 VanDerWaalsContact C-N 3.34Å; C145-Y147 PolarHBondContact O-N 3.49Å; Y147-P151 WeakPolarHBondContact O-CD 3.47Å; Y147-P151 WeakPolarHBondContact O-CG 3.49Å |
| 148 | I | 88.4 | Confident | 84.9 | Confident | 118 Ų | 118 | 80 Ų | 80 | 61% | 0.605 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -99.5 | -42 | 176.2 | -61.1 | 169.5 | 0 | 0 | 0 | 110.2 | R144 C145 G146 I150 P151 F152 | R144-I148 WeakPolarHBondContact O-CG1 3.36Å; R144-I148 PolarHBondContact O-N 2.88Å; C145-I148 PolarHBondContact O-N 3.29Å; G146-I148 PolarHBondContact O-N 3.31Å; I148-I150 PolarHBondContact O-N 3.49Å; I148-P151 WeakPolarHBondContact O-CD 3.44Å; I148-P151 WeakPolarHBondContact O-CG 3.24Å; I148-F152 VanDerWaalsContact O-CB 3.27Å; I148-F152 WeakPolarHBondContact O-CB 3.5Å; I148-F152 PolarHBondContact O-N 3.36Å; I148-F152 VanDerWaalsContact O-N 3.1Å |
| 149 | T | 89.4 | Confident | 85.9 | Confident | 56 Ų | 56 | 81 Ų | 81 | 34% | 0.344 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.9 | -39.3 | 179.1 | -60.2 | 0 | 0 | 0 | 0 | 112.1 | C145 G146 F152 I153 | C145-T149 WeakPolarHBondContact O-CB 3.27Å; C145-T149 PolarHBondContact O-N 3.09Å; C145-T149 PolarHBondContact O-OG1 3.37Å; G146-T149 PolarHBondContact O-N 2.94Å; T149-F152 PolarHBondContact O-N 3.43Å; T149-I153 HydrophobicContact CG2-CD1 3.78Å; T149-I153 HydrophobicContact CG2-CG1 4.37Å; T149-I153 WeakPolarHBondContact O-CB 3.35Å; T149-I153 VanDerWaalsContact O-CG1 3.29Å; T149-I153 WeakPolarHBondContact O-CG1 3.09Å; T149-I153 PolarHBondContact O-N 2.87Å |
| 150 | I | 92.7 | Very high | 86.7 | Confident | 27 Ų | 27 | 72.2 Ų | 72.2 | 14% | 0.138 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.2 | -61 | 178 | -69.2 | 162.8 | 0 | 0 | 0 | 111.7 | V60 L61 T64 G146 I148 F152 I153 Y154 | V60-I150 HydrophobicContact CG1-CD1 3.61Å; L61-I150 HydrophobicContact CD2-CG1 4.31Å; T64-I150 HydrophobicContact CG2-CD1 4.28Å; T64-I150 HydrophobicContact CG2-CG1 4.2Å; T64-I150 HydrophobicContact CG2-CG2 3.88Å; T64-I150 VanDerWaalsContact OG1-CD1 3.26Å; T64-I150 WeakPolarHBondContact OG1-CD1 3.47Å; G146-I150 WeakPolarHBondContact O-CB 3.47Å; G146-I150 WeakPolarHBondContact O-CD1 3.36Å; G146-I150 VanDerWaalsContact O-CG1 3.29Å; G146-I150 WeakPolarHBondContact O-CG1 3.33Å; G146-I150 PolarHBondContact O-N 3.36Å; I148-I150 PolarHBondContact O-N 3.49Å; I150-F152 PolarHBondContact O-N 2.96Å; I150-I153 WeakPolarHBondContact O-CB 3.24Å; I150-I153 PolarHBondContact O-N 3.21Å; I150-I153 VanDerWaalsContact O-N 3.1Å; I150-Y154 HydrophobicContact CG2-CD2 4.13Å; I150-Y154 HydrophobicContact CG2-CE2 3.81Å; I150-Y154 WeakPolarHBondContact O-CD2 3.35Å; I150-Y154 PolarHBondContact O-N 2.94Å; I150-Y154 VanDerWaalsContact O-N 3.1Å |
| 151 | P | 94.1 | Very high | 87.5 | Confident | 74 Ų | 74 | 67.6 Ų | 67.6 | 48% | 0.481 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.5 | -30.6 | 179.4 | 23.9 | -33.3 | 0 | 0 | 0 | 112.7 | Y147 I148 Y154 L155 | Y147-P151 WeakPolarHBondContact O-CD 3.47Å; Y147-P151 WeakPolarHBondContact O-CG 3.49Å; I148-P151 WeakPolarHBondContact O-CD 3.44Å; I148-P151 WeakPolarHBondContact O-CG 3.24Å; P151-Y154 PolarHBondContact O-N 3.19Å; P151-L155 VanDerWaalsContact O-CB 3.25Å; P151-L155 WeakPolarHBondContact O-CB 3.07Å; P151-L155 PolarHBondContact O-N 3.47Å |
| 152 | F | 94.6 | Very high | 88.4 | Confident | 130 Ų | 130 | 70 Ų | 70 | 57% | 0.57 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62.5 | -45.1 | 172.3 | 178.2 | -99.1 | 0 | 0 | 0 | 112.5 | I148 T149 I150 Y154 L155 V156 | I148-F152 VanDerWaalsContact O-CB 3.27Å; I148-F152 WeakPolarHBondContact O-CB 3.5Å; I148-F152 PolarHBondContact O-N 3.36Å; I148-F152 VanDerWaalsContact O-N 3.1Å; T149-F152 PolarHBondContact O-N 3.43Å; I150-F152 PolarHBondContact O-N 2.96Å; F152-Y154 PolarHBondContact O-N 3.34Å; F152-L155 PolarHBondContact O-N 3.49Å; F152-V156 HydrophobicContact CD1-CG2 4.4Å; F152-V156 HydrophobicContact CD2-CG2 4.44Å; F152-V156 HydrophobicContact CE1-CG2 3.96Å; F152-V156 HydrophobicContact CE2-CG2 4.01Å; F152-V156 HydrophobicContact CZ-CG2 3.75Å; F152-V156 WeakPolarHBondContact O-CG2 3.46Å; F152-V156 PolarHBondContact O-N 2.8Å |
| 153 | I | 95.6 | Very high | 89.1 | Confident | 17 Ų | 17 | 70 Ų | 70 | 9% | 0.087 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -57.4 | -50.6 | 174.6 | -77 | 165.3 | 0 | 0 | 0 | 110.5 | V119 A122 T149 I150 L155 V156 C157 | V119-I153 HydrophobicContact CG2-CG2 4.49Å; A122-I153 HydrophobicContact CB-CD1 3.97Å; T149-I153 HydrophobicContact CG2-CD1 3.78Å; T149-I153 HydrophobicContact CG2-CG1 4.37Å; T149-I153 WeakPolarHBondContact O-CB 3.35Å; T149-I153 VanDerWaalsContact O-CG1 3.29Å; T149-I153 WeakPolarHBondContact O-CG1 3.09Å; T149-I153 PolarHBondContact O-N 2.87Å; I150-I153 WeakPolarHBondContact O-CB 3.24Å; I150-I153 PolarHBondContact O-N 3.21Å; I150-I153 VanDerWaalsContact O-N 3.1Å; I153-L155 VanDerWaalsContact C-N 3.31Å; I153-L155 PolarHBondContact O-N 3.42Å; I153-V156 PolarHBondContact O-N 2.66Å; I153-C157 WeakPolarHBondContact O-CB 3.49Å; I153-C157 PolarHBondContact O-N 3.08Å; I153-C157 PolarHBondContact O-SG 2.9Å |
| 154 | Y | 95.6 | Very high | 89.9 | Confident | 54 Ų | 54 | 65.4 Ų | 65.4 | 21% | 0.212 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.3 | -35.4 | -177.3 | -76 | -122.7 | 0 | 0 | 0 | 111.4 | T64 T68 F111 V119 I150 P151 F152 G158 | T64-Y154 HydrophobicContact CG2-CE2 3.9Å; T64-Y154 WeakPolarHBondContact CG2-OH 3.47Å; T68-Y154 PolarHBondContact OG1-OH 2.93Å; F111-Y154 HydrophobicContact CE1-CD1 4.23Å; F111-Y154 WeakPolarHBondContact CE2-O 3.33Å; F111-Y154 AromaticContact CZ-CD1 3.77Å; F111-Y154 HydrophobicContact CZ-CD1 3.77Å; F111-Y154 HydrophobicContact CZ-CG 4.35Å; V119-Y154 HydrophobicContact CG2-CE2 4.44Å; I150-Y154 HydrophobicContact CG2-CD2 4.13Å; I150-Y154 HydrophobicContact CG2-CE2 3.81Å; I150-Y154 WeakPolarHBondContact O-CD2 3.35Å; I150-Y154 PolarHBondContact O-N 2.94Å; I150-Y154 VanDerWaalsContact O-N 3.1Å; P151-Y154 PolarHBondContact O-N 3.19Å; F152-Y154 PolarHBondContact O-N 3.34Å; Y154-G158 PolarHBondContact O-N 3.41Å |
| 155 | L | 95.9 | Very high | 90.3 | Very high | 114 Ų | 114 | 60.4 Ų | 60.4 | 60% | 0.597 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -63.1 | -47.9 | 173.7 | -179.3 | 65.6 | 0 | 0 | 0 | 111.4 | P151 F152 I153 G158 V159 | P151-L155 VanDerWaalsContact O-CB 3.25Å; P151-L155 WeakPolarHBondContact O-CB 3.07Å; P151-L155 PolarHBondContact O-N 3.47Å; F152-L155 PolarHBondContact O-N 3.49Å; I153-L155 VanDerWaalsContact C-N 3.31Å; I153-L155 PolarHBondContact O-N 3.42Å; L155-G158 PolarHBondContact O-N 2.87Å; L155-V159 HydrophobicContact CD1-CG2 4.34Å; L155-V159 WeakPolarHBondContact O-CG2 3.38Å; L155-V159 PolarHBondContact O-N 3.23Å |
| 156 | V | 95.2 | Very high | 90.5 | Very high | 76 Ų | 76 | 64.4 Ų | 64.4 | 46% | 0.461 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 178.2 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | F152 I153 G158 F160 | F152-V156 HydrophobicContact CD1-CG2 4.4Å; F152-V156 HydrophobicContact CD2-CG2 4.44Å; F152-V156 HydrophobicContact CE1-CG2 3.96Å; F152-V156 HydrophobicContact CE2-CG2 4.01Å; F152-V156 HydrophobicContact CZ-CG2 3.75Å; F152-V156 WeakPolarHBondContact O-CG2 3.46Å; F152-V156 PolarHBondContact O-N 2.8Å; I153-V156 PolarHBondContact O-N 2.66Å; V156-G158 VanDerWaalsContact C-N 3.33Å; V156-G158 PolarHBondContact O-N 3.14Å; V156-F160 WeakPolarHBondContact O-CB 3.45Å; V156-F160 PolarHBondContact O-N 3.41Å |
| 157 | C | 95.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.007 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.6 | -39.4 | 176.4 | -61 | 0 | 0 | 0 | 0 | 111.8 | F111 L114 A115 I153 F160 C161 | F111-C157 HydrophobicContact CD2-CB 4.03Å; F111-C157 HydrophobicContact CE2-CB 3.94Å; L114-C157 HydrophobicContact CD2-CB 4.25Å; L114-C157 HydrophobicContact CG-CB 4.33Å; A115-C157 HydrophobicContact CB-CB 4.5Å; I153-C157 WeakPolarHBondContact O-CB 3.49Å; I153-C157 PolarHBondContact O-N 3.08Å; I153-C157 PolarHBondContact O-SG 2.9Å; C157-F160 PolarHBondContact O-N 3.1Å; C157-C161 WeakPolarHBondContact O-CB 3.44Å; C157-C161 PolarHBondContact O-N 2.86Å; C157-C161 PolarHBondContact O-SG 3Å |
| 158 | G | 93.8 | Very high | 90.5 | Very high | 12 Ų | 12 | 65.4 Ų | 65.4 | 12% | 0.124 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.2 | -50.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | Y154 L155 V156 F160 C161 L162 | Y154-G158 PolarHBondContact O-N 3.41Å; L155-G158 PolarHBondContact O-N 2.87Å; V156-G158 VanDerWaalsContact C-N 3.33Å; V156-G158 PolarHBondContact O-N 3.14Å; G158-F160 VanDerWaalsContact C-N 3.27Å; G158-F160 PolarHBondContact O-N 3.21Å; G158-C161 PolarHBondContact O-N 3.47Å; G158-L162 WeakPolarHBondContact O-CB 3.25Å; G158-L162 VanDerWaalsContact O-CG 3.24Å; G158-L162 WeakPolarHBondContact O-CG 3.42Å; G158-L162 PolarHBondContact O-N 2.85Å |
| 159 | V | 93 | Very high | 90.3 | Very high | 88 Ų | 88 | 59.8 Ų | 59.8 | 53% | 0.533 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.6 | -39.9 | 175.7 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | L155 L162 | L155-V159 HydrophobicContact CD1-CG2 4.34Å; L155-V159 WeakPolarHBondContact O-CG2 3.38Å; L155-V159 PolarHBondContact O-N 3.23Å; V159-L162 PolarHBondContact O-N 3.48Å |
| 160 | F | 93 | Very high | 90 | Very high | 23 Ų | 23 | 61.9 Ų | 61.9 | 10% | 0.101 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.4 | -48.7 | 175.3 | -169.4 | -78.6 | 0 | 0 | 0 | 112.1 | L114 V156 C157 G158 L162 M163 Y194 L197 Y198 V201 | L114-F160 HydrophobicContact CD2-CB 4.07Å; L114-F160 HydrophobicContact CD2-CD1 3.88Å; L114-F160 HydrophobicContact CD2-CG 3.97Å; V156-F160 WeakPolarHBondContact O-CB 3.45Å; V156-F160 PolarHBondContact O-N 3.41Å; C157-F160 PolarHBondContact O-N 3.1Å; G158-F160 VanDerWaalsContact C-N 3.27Å; G158-F160 PolarHBondContact O-N 3.21Å; F160-L162 PolarHBondContact O-N 3.33Å; F160-M163 WeakPolarHBondContact O-CB 3.12Å; F160-M163 PolarHBondContact O-N 2.85Å; F160-Y194 HydrophobicContact CD1-CE2 4.03Å; F160-Y194 HydrophobicContact CE1-CD2 4.31Å; F160-Y194 AromaticContact CE1-CE2 3.5Å; F160-Y194 HydrophobicContact CE1-CE2 3.5Å; F160-Y194 HydrophobicContact CZ-CE2 4.12Å; F160-L197 HydrophobicContact CE2-CD2 3.64Å; F160-L197 HydrophobicContact CE2-CG 3.74Å; F160-L197 HydrophobicContact CZ-CB 4.35Å; F160-L197 HydrophobicContact CZ-CD2 3.87Å; F160-L197 HydrophobicContact CZ-CG 3.78Å; F160-Y198 HydrophobicContact CD1-CD2 4.45Å; F160-Y198 AromaticContact CE1-CD2 3.81Å; F160-Y198 HydrophobicContact CE1-CD2 3.81Å; F160-Y198 HydrophobicContact CE1-CG 4.44Å; F160-V201 HydrophobicContact CE2-CG2 3.99Å; F160-V201 HydrophobicContact CZ-CG2 4.41Å |
| 161 | C | 91.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -73.1 | -12.1 | -178.4 | -62.9 | 0 | 0 | 0 | 0 | 113.8 | F107 T110 F111 C157 G158 P164 Y171 | F107-C161 HydrophobicContact CD2-CB 3.67Å; F107-C161 WeakPolarHBondContact CD2-O 3.23Å; F107-C161 HydrophobicContact CE2-CB 3.56Å; T110-C161 PolarHBondContact OG1-SG 2.65Å; F111-C161 VanDerWaalsContact CA-SG 3.51Å; F111-C161 HydrophobicContact CB-CB 4.34Å; F111-C161 PolarHBondContact N-SG 2.93Å; C157-C161 WeakPolarHBondContact O-CB 3.44Å; C157-C161 PolarHBondContact O-N 2.86Å; C157-C161 PolarHBondContact O-SG 3Å; G158-C161 PolarHBondContact O-N 3.47Å; C161-P164 WeakPolarHBondContact O-CD 3.46Å; C161-Y171 PolarHBondContact O-OH 2.8Å |
| 162 | L | 90.1 | Very high | 89.5 | Confident | 84 Ų | 84 | 59.1 Ų | 59.1 | 44% | 0.44 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -9.8 | 172.8 | -74.4 | 170.4 | 0 | 0 | 0 | 113.6 | F107 G158 V159 F160 F165 | F107-L162 HydrophobicContact CE2-CD2 4.06Å; F107-L162 HydrophobicContact CE2-CG 4.12Å; G158-L162 WeakPolarHBondContact O-CB 3.25Å; G158-L162 VanDerWaalsContact O-CG 3.24Å; G158-L162 WeakPolarHBondContact O-CG 3.42Å; G158-L162 PolarHBondContact O-N 2.85Å; V159-L162 PolarHBondContact O-N 3.48Å; F160-L162 PolarHBondContact O-N 3.33Å; L162-F165 HydrophobicContact CD2-CD2 4.05Å; L162-F165 HydrophobicContact CD2-CE2 4.42Å; L162-F165 PolarHBondContact O-N 3.19Å |
| 163 | M | 87.3 | Confident | 89.1 | Confident | 71 Ų | 71 | 53 Ų | 53 | 35% | 0.35 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -57.6 | -39 | 179.9 | -75.7 | -174.3 | 160.4 | 0 | 0 | 115.3 | F160 F165 L166 F168 Y194 L197 | F160-M163 WeakPolarHBondContact O-CB 3.12Å; F160-M163 PolarHBondContact O-N 2.85Å; M163-F165 VanDerWaalsContact C-N 3.31Å; M163-F165 PolarHBondContact O-N 2.84Å; M163-L166 WeakPolarHBondContact O-CA 3.28Å; M163-L166 WeakPolarHBondContact O-CB 3.27Å; M163-L166 PolarHBondContact O-N 3.38Å; M163-F168 HydrophobicContact CB-CB 4.48Å; M163-F168 PolarHBondContact O-N 2.89Å; M163-Y194 HydrophobicContact CB-CD2 4.07Å; M163-Y194 HydrophobicContact CB-CE2 3.93Å; M163-L197 HydrophobicContact SD-CD2 4.34Å |
| 164 | P | 84.6 | Confident | 88.5 | Confident | 13 Ų | 13 | 52.5 Ų | 52.5 | 8% | 0.084 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -54.4 | -44 | 174.2 | -34.3 | 42.5 | 0 | 0 | 0 | 113.5 | C161 L166 G167 G169 Y171 Y194 | C161-P164 WeakPolarHBondContact O-CD 3.46Å; P164-L166 PolarHBondContact O-N 3.44Å; P164-L166 VanDerWaalsContact O-N 3.08Å; P164-G167 PolarHBondContact O-N 3.3Å; P164-G169 VanDerWaalsContact CA-O 3.29Å; P164-G169 WeakPolarHBondContact CA-O 3.45Å; P164-G169 VanDerWaalsContact CB-O 3.24Å; P164-G169 WeakPolarHBondContact CB-O 3.48Å; P164-Y171 HydrophobicContact CB-CD2 4.11Å; P164-Y171 HydrophobicContact CB-CE2 3.66Å; P164-Y171 HydrophobicContact CG-CE2 3.78Å; P164-Y194 HydrophobicContact CG-CD1 3.8Å; P164-Y194 HydrophobicContact CG-CE1 3.26Å; P164-Y194 HydrophobicContact CG-CE2 4.19Å; P164-Y194 HydrophobicContact CG-CG 4.46Å; P164-Y194 VanDerWaalsContact CG-CZ 3.49Å |
| 165 | F | 84.2 | Confident | 87.7 | Confident | 94 Ų | 94 | 51 Ų | 51 | 41% | 0.412 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -67.5 | -9.6 | 178.2 | -56.1 | -87.2 | 0 | 0 | 0 | 113.8 | E103 F107 L162 M163 Y171 | E103-F165 HydrophobicContact CB-CE1 3.83Å; E103-F165 HydrophobicContact CB-CZ 4.01Å; E103-F165 HydrophobicContact CG-CE1 4.35Å; F107-F165 HydrophobicContact CB-CE2 4.22Å; F107-F165 HydrophobicContact CB-CZ 4.28Å; F107-F165 AromaticContact CD2-CE2 3.95Å; F107-F165 HydrophobicContact CD2-CE2 3.95Å; F107-F165 HydrophobicContact CG-CE2 4.36Å; L162-F165 HydrophobicContact CD2-CD2 4.05Å; L162-F165 HydrophobicContact CD2-CE2 4.42Å; L162-F165 PolarHBondContact O-N 3.19Å; M163-F165 VanDerWaalsContact C-N 3.31Å; M163-F165 PolarHBondContact O-N 2.84Å; F165-Y171 AromaticContact CE2-CE2 3.99Å; F165-Y171 HydrophobicContact CE2-CE2 3.99Å; F165-Y171 HydrophobicContact CZ-CE2 4.21Å |
| 166 | L | 84.7 | Confident | 86.7 | Confident | 131 Ų | 131 | 47.4 Ų | 47.4 | 69% | 0.686 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -97.2 | 6.6 | 172.1 | -58.9 | 176.5 | 0 | 0 | 0 | 112.6 | M163 P164 F168 | M163-L166 WeakPolarHBondContact O-CA 3.28Å; M163-L166 WeakPolarHBondContact O-CB 3.27Å; M163-L166 PolarHBondContact O-N 3.38Å; P164-L166 PolarHBondContact O-N 3.44Å; P164-L166 VanDerWaalsContact O-N 3.08Å; L166-F168 HydrophobicContact CB-CD2 4.23Å |
| 167 | G | 80.8 | Confident | 86 | Confident | 63 Ų | 63 | 43.8 Ų | 43.8 | 65% | 0.649 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 88.4 | 25.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | P164 | P164-G167 PolarHBondContact O-N 3.3Š|
| 168 | F | 81.1 | Confident | 85.4 | Confident | 127 Ų | 127 | 43.8 Ų | 43.8 | 56% | 0.557 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -114.5 | 78.3 | 176.6 | -67.2 | -82.7 | 0 | 0 | 0 | 111.1 | M163 L166 Y194 | M163-F168 HydrophobicContact CB-CB 4.48Å; M163-F168 PolarHBondContact O-N 2.89Å; L166-F168 HydrophobicContact CB-CD2 4.23Å; F168-Y194 WeakPolarHBondContact O-CB 3.25Å |
| 169 | G | 82.9 | Confident | 85 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | trans | 83.7 | 157 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | P164 | P164-G169 VanDerWaalsContact CA-O 3.29Å; P164-G169 WeakPolarHBondContact CA-O 3.45Å; P164-G169 VanDerWaalsContact CB-O 3.24Å; P164-G169 WeakPolarHBondContact CB-O 3.48Å | ||
| 170 | D | 84.6 | Confident | 84.9 | Confident | 99 Ų | 99 | 39.7 Ų | 39.7 | 53% | 0.529 | 22% | 0.216 | S | C | . | . | trans | -110.2 | 158.3 | -170.7 | -70.5 | -48.2 | 0 | 0 | 0 | 114.2 | V172 D183 | D170-V172 HydrophobicContact CB-CG1 4.43Å; D170-D183 PolarHBondContact O-N 3.49Å | ||
| 171 | Y | 88.5 | Confident | 84.7 | Confident | 18 Ų | 18 | 38.6 Ų | 38.6 | 7% | 0.071 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 119.4 | 165.6 | -70 | -66.2 | 0 | 0 | 0 | 110.2 | E103 F107 T110 C161 P164 F165 F181 I182 | E103-Y171 HydrophobicContact CB-CD2 4.33Å; F107-Y171 HydrophobicContact CB-CE2 4.43Å; T110-Y171 HydrophobicContact CG2-CE1 4.02Å; T110-Y171 PolarHBondContact OG1-OH 3.36Å; C161-Y171 PolarHBondContact O-OH 2.8Å; P164-Y171 HydrophobicContact CB-CD2 4.11Å; P164-Y171 HydrophobicContact CB-CE2 3.66Å; P164-Y171 HydrophobicContact CG-CE2 3.78Å; F165-Y171 AromaticContact CE2-CE2 3.99Å; F165-Y171 HydrophobicContact CE2-CE2 3.99Å; F165-Y171 HydrophobicContact CZ-CE2 4.21Å; Y171-F181 CarbonylContact C-O 3.36Å; Y171-F181 WeakPolarHBondContact CA-O 3.23Å; Y171-I182 HydrophobicContact CD1-CG1 4.48Å; Y171-I182 HydrophobicContact CE1-CG1 4.03Å |
| 172 | V | 86.6 | Confident | 84.6 | Confident | 25 Ų | 25 | 38.7 Ų | 38.7 | 15% | 0.152 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 152.8 | -176.1 | -59.5 | 0 | 0 | 0 | 0 | 112.5 | D170 Y174 C180 F181 D183 | D170-V172 HydrophobicContact CB-CG1 4.43Å; V172-Y174 HydrophobicContact CG2-CD2 4.4Å; V172-Y174 HydrophobicContact CG2-CE2 3.71Å; V172-C180 WeakPolarHBondContact O-CA 3.31Å; V172-F181 PolarHBondContact N-O 2.93Å; V172-F181 PolarHBondContact O-N 3.4Å; V172-D183 HydrophobicContact CG1-CB 3.88Å; V172-D183 HydrophobicContact CG2-CB 3.87Å |
| 173 | Q | 85.8 | Confident | 84.5 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 130.7 | 177.5 | 176.7 | 173.7 | -78 | 0 | 0 | 111.9 | C10 H11 N13 T89 I91 W179 | C10-Q173 PolarHBondContact O-NE2 3.11Å; H11-Q173 PolarHBondContact CE1-O 3.1Å; H11-Q173 PolarHBondContact ND1-O 3.5Å; H11-Q173 VanDerWaalsContact ND1-O 3.08Å; N13-Q173 PolarHBondContact O-NE2 2.9Å; T89-Q173 VanDerWaalsContact CB-OE1 3.29Å; T89-Q173 PolarHBondContact OG1-OE1 3.28Å; I91-Q173 HydrophobicContact CD1-CB 3.57Å; I91-Q173 HydrophobicContact CD1-CG 4.33Å; I91-Q173 HydrophobicContact CG1-CB 4.28Å; Q173-W179 WeakPolarHBondContact CA-O 3.14Å |
| 174 | Y | 83.8 | Confident | 84.2 | Confident | 7 Ų | 7 | 32.8 Ų | 32.8 | 3% | 0.027 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 145.2 | 176.5 | -77.2 | -91.8 | 0 | 0 | 0 | 111.6 | V172 G177 W179 F181 I182 M184 D290 L294 | V172-Y174 HydrophobicContact CG2-CD2 4.4Å; V172-Y174 HydrophobicContact CG2-CE2 3.71Å; Y174-G177 WeakPolarHBondContact O-CA 3.49Å; Y174-G177 PolarHBondContact O-N 3.42Å; Y174-W179 PolarHBondContact N-O 3.48Å; Y174-F181 HydrophobicContact CD2-CB 4.16Å; Y174-F181 HydrophobicContact CE2-CB 3.94Å; Y174-I182 PolarHBondContact OH-O 3.38Å; Y174-M184 WeakPolarHBondContact OH-CB 3.06Å; Y174-M184 WeakPolarHBondContact OH-CG 3.29Å; Y174-M184 PolarHBondContact OH-N 2.78Å; Y174-D290 HydrophobicContact CD1-CB 3.92Å; Y174-D290 HydrophobicContact CE1-CB 3.7Å; Y174-L294 HydrophobicContact CD1-CD1 4.48Å; Y174-L294 HydrophobicContact CD2-CD1 4.03Å; Y174-L294 HydrophobicContact CG-CD1 4Å |
| 175 | C | 77.8 | Confident | 83.9 | Confident | 24 Ų | 24 | 33.3 Ų | 33.3 | 16% | 0.162 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 135.4 | 174.3 | -58.9 | 0 | 0 | 0 | 0 | 111 | C10 H287 | C10-C175 HydrophobicContact CB-CB 3.85Å; C10-C175 WeakPolarHBondContact CB-SG 3.18Å; C10-C175 WeakPolarHBondContact SG-CB 3.31Å; C10-C175 CovalentContact SG-SG 2.03Å; C10-C175 PolarHBondContact SG-SG 3.26Å; C175-H287 HydrophobicContact CB-CB 4.17Å |
| 176 | P | 75.7 | Confident | 83.5 | Confident | 38 Ų | 38 | 29.1 Ų | 29.1 | 25% | 0.247 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -94.7 | 27.6 | 10.4 | 39.6 | -38.1 | 0 | 0 | 0 | 114.3 | I16 | I16-P176 HydrophobicContact CG2-CB 4.36Š|
| 177 | G | 79.8 | Confident | 82.9 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.9 | 7.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | T89 I90 Y174 | T89-G177 WeakPolarHBondContact CA-O 3.2Å; T89-G177 VanDerWaalsContact CB-O 3.29Å; T89-G177 WeakPolarHBondContact CB-O 3.34Å; I90-G177 PolarHBondContact N-O 3.34Å; I90-G177 VanDerWaalsContact N-O 3.09Å; Y174-G177 WeakPolarHBondContact O-CA 3.49Å; Y174-G177 PolarHBondContact O-N 3.42Å |
| 178 | T | 83.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 8.4 | -179.4 | 56.1 | 0 | 0 | 0 | 0 | 114 | I16 A83 Y84 I90 | I16-T178 HydrophobicContact CD1-CG2 3.38Å; I16-T178 HydrophobicContact CG1-CG2 4.05Å; A83-T178 HydrophobicContact CB-CG2 3.87Å; Y84-T178 HydrophobicContact CD1-CG2 4.15Å; Y84-T178 HydrophobicContact CD2-CG2 4.32Å; Y84-T178 HydrophobicContact CE1-CG2 3.78Å; Y84-T178 HydrophobicContact CE2-CG2 3.99Å; Y84-T178 HydrophobicContact CG-CG2 4.38Å; Y84-T178 PolarHBondContact OH-OG1 2.9Å; Y84-T178 VanDerWaalsContact OH-OG1 3.08Å; I90-T178 VanDerWaalsContact CD1-O 3.28Å; I90-T178 WeakPolarHBondContact CD1-O 3.37Å |
| 179 | W | 86.3 | Confident | 82.2 | Confident | 14 Ų | 14 | 30.7 Ų | 30.7 | 5% | 0.053 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 133.5 | 179.6 | -62.9 | 80.7 | 0 | 0 | 0 | 109.8 | F105 M109 Q173 Y174 L291 L295 S298 | F105-W179 HydrophobicContact CE1-CB 4.47Å; F105-W179 HydrophobicContact CE1-CE3 4.25Å; F105-W179 HydrophobicContact CZ-CE3 4.11Å; M109-W179 HydrophobicContact CE-CE3 4.08Å; M109-W179 HydrophobicContact CE-CZ3 3.85Å; M109-W179 HydrophobicContact SD-CZ3 4.32Å; Q173-W179 WeakPolarHBondContact CA-O 3.14Å; Y174-W179 PolarHBondContact N-O 3.48Å; W179-L291 HydrophobicContact CG-CD1 4.31Å; W179-L295 HydrophobicContact CH2-CD2 4.14Å; W179-L295 HydrophobicContact CZ2-CD2 3.69Å; W179-S298 WeakPolarHBondContact CH2-OG 3.34Å |
| 180 | C | 89.4 | Confident | 81.8 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 142.4 | 166.2 | -73.3 | 0 | 0 | 0 | 0 | 110.3 | C102 F105 V172 | C102-C180 WeakPolarHBondContact CA-SG 3.49Å; C102-C180 HydrophobicContact CB-CB 4Å; C102-C180 WeakPolarHBondContact CB-SG 3.43Å; C102-C180 WeakPolarHBondContact O-CB 3.49Å; C102-C180 WeakPolarHBondContact SG-CB 3.3Å; C102-C180 CovalentContact SG-SG 2.04Å; C102-C180 PolarHBondContact SG-SG 3.23Å; F105-C180 HydrophobicContact CB-CB 4.31Å; F105-C180 HydrophobicContact CD1-CB 3.85Å; F105-C180 VanDerWaalsContact CD1-N 3.35Å; F105-C180 VanDerWaalsContact CD1-O 3.22Å; F105-C180 WeakPolarHBondContact CD1-O 3.14Å; F105-C180 VanDerWaalsContact CE1-N 3.33Å; F105-C180 WeakPolarHBondContact CE1-O 3.13Å; F105-C180 HydrophobicContact CG-CB 4.41Å; V172-C180 WeakPolarHBondContact O-CA 3.31Å |
| 181 | F | 90.2 | Very high | 81.5 | Confident | 1 Ų | 1 | 35 Ų | 35 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 174 | 177 | -161.9 | -104.3 | 0 | 0 | 0 | 110.4 | M109 T110 Y171 V172 Y174 D183 M184 Y198 L271 L294 L297 | M109-F181 HydrophobicContact CB-CD2 4.01Å; M109-F181 HydrophobicContact CB-CE2 4.21Å; T110-F181 HydrophobicContact CG2-CD2 4.21Å; T110-F181 HydrophobicContact CG2-CE2 3.59Å; T110-F181 HydrophobicContact CG2-CZ 3.85Å; Y171-F181 CarbonylContact C-O 3.36Å; Y171-F181 WeakPolarHBondContact CA-O 3.23Å; V172-F181 PolarHBondContact N-O 2.93Å; V172-F181 PolarHBondContact O-N 3.4Å; Y174-F181 HydrophobicContact CD2-CB 4.16Å; Y174-F181 HydrophobicContact CE2-CB 3.94Å; F181-D183 PolarHBondContact O-N 3.16Å; F181-M184 HydrophobicContact CD1-CE 3.47Å; F181-M184 VanDerWaalsContact CD1-CE 3.47Å; F181-M184 HydrophobicContact CE1-CE 3.89Å; F181-M184 HydrophobicContact CG-CE 4.37Å; F181-Y198 HydrophobicContact CE1-CE1 4.47Å; F181-Y198 AromaticContact CZ-CE1 3.85Å; F181-Y198 HydrophobicContact CZ-CE1 3.85Å; F181-L271 HydrophobicContact CE1-CD1 4.27Å; F181-L271 HydrophobicContact CE1-CD2 4.32Å; F181-L271 HydrophobicContact CZ-CD2 4.16Å; F181-L294 HydrophobicContact CB-CD1 4.22Å; F181-L294 HydrophobicContact CB-CD2 3.82Å; F181-L294 HydrophobicContact CD1-CD2 3.81Å; F181-L294 HydrophobicContact CD2-CD2 3.73Å; F181-L294 HydrophobicContact CE1-CD2 4.32Å; F181-L294 HydrophobicContact CE2-CD2 4.25Å; F181-L294 HydrophobicContact CG-CD2 3.49Å; F181-L294 VanDerWaalsContact CG-CD2 3.49Å; F181-L297 HydrophobicContact CE2-CD2 4.16Å; F181-L297 HydrophobicContact CZ-CD2 4.24Å |
| 182 | I | 89.8 | Confident | 81.2 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.3 | 136.5 | 171.9 | -45.3 | 176.2 | 0 | 0 | 0 | 109.3 | T110 Y171 Y174 M184 Y194 P195 Y198 | T110-I182 HydrophobicContact CG2-CD1 3.6Å; T110-I182 HydrophobicContact CG2-CG1 3.49Å; T110-I182 VanDerWaalsContact CG2-CG1 3.49Å; Y171-I182 HydrophobicContact CD1-CG1 4.48Å; Y171-I182 HydrophobicContact CE1-CG1 4.03Å; Y174-I182 PolarHBondContact OH-O 3.38Å; I182-M184 PolarHBondContact O-N 2.91Å; I182-Y194 HydrophobicContact CB-CE1 4.38Å; I182-Y194 HydrophobicContact CD1-CD1 4.2Å; I182-Y194 HydrophobicContact CD1-CE1 3.55Å; I182-Y194 HydrophobicContact CG1-CD1 4.42Å; I182-Y194 HydrophobicContact CG1-CE1 3.76Å; I182-Y194 HydrophobicContact CG2-CD1 3.51Å; I182-Y194 HydrophobicContact CG2-CE1 3.74Å; I182-P195 HydrophobicContact CG2-CB 3.85Å; I182-P195 HydrophobicContact CG2-CG 4.45Å; I182-Y198 HydrophobicContact CD1-CD1 3.87Å; I182-Y198 HydrophobicContact CD1-CD2 3.99Å; I182-Y198 HydrophobicContact CD1-CE1 4.43Å; I182-Y198 HydrophobicContact CD1-CG 3.62Å |
| 183 | D | 86.3 | Confident | 81.3 | Confident | 26 Ų | 26 | 40 Ų | 40 | 14% | 0.139 | 21% | 0.212 | C | C | . | . | trans | -58 | 111.6 | 170.3 | -169.1 | -4.8 | 0 | 0 | 0 | 111.2 | D170 V172 F181 N185 P186 P195 | D170-D183 PolarHBondContact O-N 3.49Å; V172-D183 HydrophobicContact CG1-CB 3.88Å; V172-D183 HydrophobicContact CG2-CB 3.87Å; F181-D183 PolarHBondContact O-N 3.16Å; D183-N185 VanDerWaalsContact OD1-C 3.31Å; D183-N185 PolarHBondContact OD1-N 3.44Å; D183-P186 HydrophobicContact CB-CB 4.49Å; D183-P186 WeakPolarHBondContact O-CD 3.39Å; D183-P186 WeakPolarHBondContact OD2-CA 3.49Å; D183-P186 WeakPolarHBondContact OD2-CB 3.49Å; D183-P195 WeakPolarHBondContact O-CB 3.34Å; D183-P195 WeakPolarHBondContact O-CG 3.27Å | ||
| 184 | M | 81.6 | Confident | 81.4 | Confident | 5 Ų | 5 | 40.1 Ų | 40.1 | 3% | 0.025 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -86 | -8.6 | 176.2 | -58.2 | -174.7 | -151.4 | 0 | 0 | 113.4 | Y174 F181 I182 L271 R274 V275 N278 L294 | Y174-M184 WeakPolarHBondContact OH-CB 3.06Å; Y174-M184 WeakPolarHBondContact OH-CG 3.29Å; Y174-M184 PolarHBondContact OH-N 2.78Å; F181-M184 HydrophobicContact CD1-CE 3.47Å; F181-M184 VanDerWaalsContact CD1-CE 3.47Å; F181-M184 HydrophobicContact CE1-CE 3.89Å; F181-M184 HydrophobicContact CG-CE 4.37Å; I182-M184 PolarHBondContact O-N 2.91Å; M184-L271 HydrophobicContact CE-CD1 3.53Å; M184-L271 HydrophobicContact SD-CD1 4.38Å; M184-R274 HydrophobicContact SD-CB 4.44Å; M184-V275 HydrophobicContact CB-CG2 4.46Å; M184-V275 HydrophobicContact CG-CG2 4.03Å; M184-V275 HydrophobicContact SD-CG2 4.19Å; M184-N278 WeakPolarHBondContact O-CB 3.22Å; M184-N278 PolarHBondContact O-ND2 3.01Å; M184-L294 HydrophobicContact CE-CD1 4.47Å; M184-L294 HydrophobicContact CE-CD2 3.78Å; M184-L294 HydrophobicContact CE-CG 4.06Å |
| 185 | N | 78.7 | Confident | 81.7 | Confident | 24 Ų | 24 | 40 Ų | 40 | 13% | 0.128 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -137.6 | 53.5 | 178.4 | -171.1 | 54.4 | 0 | 0 | 0 | 113.4 | D183 L187 E285 | D183-N185 VanDerWaalsContact OD1-C 3.31Å; D183-N185 PolarHBondContact OD1-N 3.44Å; N185-L187 PolarHBondContact O-N 3.31Å; N185-E285 WeakPolarHBondContact ND2-CG 3.09Å; N185-E285 PolarHBondContact ND2-OE1 3.47Å |
| 186 | P | 76.1 | Confident | 82.3 | Confident | 5 Ų | 5 | 40.7 Ų | 40.7 | 3% | 0.032 | 22% | 0.216 | C | C | . | . | trans | -65.9 | 137.4 | -176.7 | 22 | -29.2 | 0 | 0 | 0 | 112.5 | D183 D191 R192 | D183-P186 HydrophobicContact CB-CB 4.49Å; D183-P186 WeakPolarHBondContact O-CD 3.39Å; D183-P186 WeakPolarHBondContact OD2-CA 3.49Å; D183-P186 WeakPolarHBondContact OD2-CB 3.49Å; P186-D191 HydrophobicContact CB-CB 3.71Å; P186-D191 HydrophobicContact CG-CB 4.08Å; P186-R192 HydrophobicContact CG-CB 4.44Å; P186-R192 HydrophobicContact CG-CG 3.65Å; P186-R192 PolarHBondContact O-NE 3.13Å; P186-R192 VanDerWaalsContact O-NE 3.12Å; P186-R192 PolarHBondContact O-NH2 3.13Å | ||
| 187 | L | 70.7 | Confident | 83.1 | Confident | 157 Ų | 157 | 41.9 Ų | 41.9 | 82% | 0.822 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -61.5 | -45.1 | 178.6 | -73.5 | 134.4 | 0 | 0 | 0 | 110.9 | N185 R192 | N185-L187 PolarHBondContact O-N 3.31Å; L187-R192 PolarHBondContact O-NH2 3.04Å |
| 188 | M | 74.5 | Confident | 83.7 | Confident | 110 Ų | 110 | 41.9 Ų | 41.9 | 54% | 0.542 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -80.6 | 146.9 | 179.3 | -62.9 | -60.2 | -77.7 | 0 | 0 | 111.4 | D191 | M188-D191 WeakPolarHBondContact CB-OD2 3.24Š|
| 189 | P | 73.3 | Confident | 84.1 | Confident | 87 Ų | 87 | 42 Ų | 42 | 57% | 0.565 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -76.2 | -23.3 | -178.5 | 30.6 | -34.6 | 0 | 0 | 0 | 113.4 | R192 | P189-R192 WeakPolarHBondContact O-CB 3.26Å; P189-R192 PolarHBondContact O-N 2.8Å |
| 190 | E | 75.9 | Confident | 84.5 | Confident | 151 Ų | 151 | 43.1 Ų | 43.1 | 71% | 0.706 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -70.3 | -44.1 | -177.6 | -66.3 | 173.2 | -158 | 0 | 0 | 110.7 | R192 V193 | E190-R192 PolarHBondContact O-N 3.26Å; E190-R192 VanDerWaalsContact O-N 3.14Å; E190-V193 WeakPolarHBondContact O-CG2 3.35Å; E190-V193 PolarHBondContact O-N 3.01Å |
| 191 | D | 78.1 | Confident | 84.7 | Confident | 41 Ų | 41 | 45 Ų | 45 | 22% | 0.219 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -11.2 | 179 | -53.9 | -54.4 | 0 | 0 | 0 | 113.9 | P186 M188 V193 P195 | P186-D191 HydrophobicContact CB-CB 3.71Å; P186-D191 HydrophobicContact CG-CB 4.08Å; M188-D191 WeakPolarHBondContact CB-OD2 3.24Å; D191-V193 PolarHBondContact O-N 3.36Å; D191-P195 WeakPolarHBondContact O-CD 3.27Å |
| 192 | R | 82.4 | Confident | 84.8 | Confident | 57 Ų | 57 | 45 Ų | 45 | 22% | 0.215 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -21.2 | 173.7 | -69.4 | -178.7 | -174.5 | 150.1 | 17.3 | 113.3 | P186 L187 P189 E190 Y194 P195 V196 | P186-R192 HydrophobicContact CG-CB 4.44Å; P186-R192 HydrophobicContact CG-CG 3.65Å; P186-R192 PolarHBondContact O-NE 3.13Å; P186-R192 VanDerWaalsContact O-NE 3.12Å; P186-R192 PolarHBondContact O-NH2 3.13Å; L187-R192 PolarHBondContact O-NH2 3.04Å; P189-R192 WeakPolarHBondContact O-CB 3.26Å; P189-R192 PolarHBondContact O-N 2.8Å; E190-R192 PolarHBondContact O-N 3.26Å; E190-R192 VanDerWaalsContact O-N 3.14Å; R192-Y194 PolarHBondContact O-N 3.3Å; R192-P195 WeakPolarHBondContact O-CD 3.29Å; R192-P195 WeakPolarHBondContact O-CG 3.24Å; R192-V196 WeakPolarHBondContact O-CB 3.27Å; R192-V196 VanDerWaalsContact O-CG2 3.25Å; R192-V196 WeakPolarHBondContact O-CG2 3.46Å; R192-V196 PolarHBondContact O-N 3.4Å |
| 193 | V | 86.6 | Confident | 85 | Confident | 91 Ų | 91 | 47 Ų | 47 | 55% | 0.552 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -62.9 | -44.6 | -175.3 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | E190 D191 L197 | E190-V193 WeakPolarHBondContact O-CG2 3.35Å; E190-V193 PolarHBondContact O-N 3.01Å; D191-V193 PolarHBondContact O-N 3.36Å; V193-L197 WeakPolarHBondContact O-CB 3.2Å; V193-L197 PolarHBondContact O-N 3.06Å |
| 194 | Y | 88.7 | Confident | 85.4 | Confident | 3 Ų | 3 | 51.1 Ų | 51.1 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.3 | -50.9 | -176.5 | -177.3 | -112.7 | 0 | 0 | 0 | 115.6 | F160 M163 P164 F168 I182 R192 V196 L197 Y198 | F160-Y194 HydrophobicContact CD1-CE2 4.03Å; F160-Y194 HydrophobicContact CE1-CD2 4.31Å; F160-Y194 AromaticContact CE1-CE2 3.5Å; F160-Y194 HydrophobicContact CE1-CE2 3.5Å; F160-Y194 HydrophobicContact CZ-CE2 4.12Å; M163-Y194 HydrophobicContact CB-CD2 4.07Å; M163-Y194 HydrophobicContact CB-CE2 3.93Å; P164-Y194 HydrophobicContact CG-CD1 3.8Å; P164-Y194 HydrophobicContact CG-CE1 3.26Å; P164-Y194 HydrophobicContact CG-CE2 4.19Å; P164-Y194 HydrophobicContact CG-CG 4.46Å; P164-Y194 VanDerWaalsContact CG-CZ 3.49Å; F168-Y194 WeakPolarHBondContact O-CB 3.25Å; I182-Y194 HydrophobicContact CB-CE1 4.38Å; I182-Y194 HydrophobicContact CD1-CD1 4.2Å; I182-Y194 HydrophobicContact CD1-CE1 3.55Å; I182-Y194 HydrophobicContact CG1-CD1 4.42Å; I182-Y194 HydrophobicContact CG1-CE1 3.76Å; I182-Y194 HydrophobicContact CG2-CD1 3.51Å; I182-Y194 HydrophobicContact CG2-CE1 3.74Å; R192-Y194 PolarHBondContact O-N 3.3Å; Y194-V196 VanDerWaalsContact C-N 3.33Å; Y194-V196 PolarHBondContact O-N 3.33Å; Y194-L197 PolarHBondContact O-N 3.43Å; Y194-Y198 WeakPolarHBondContact O-CB 3.2Å; Y194-Y198 PolarHBondContact O-N 2.91Å |
| 195 | P | 90.1 | Very high | 86 | Confident | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.032 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61 | -41.6 | 176.3 | 24 | -34.2 | 0 | 0 | 0 | 111.6 | I182 D183 D191 R192 Y198 A199 V275 | I182-P195 HydrophobicContact CG2-CB 3.85Å; I182-P195 HydrophobicContact CG2-CG 4.45Å; D183-P195 WeakPolarHBondContact O-CB 3.34Å; D183-P195 WeakPolarHBondContact O-CG 3.27Å; D191-P195 WeakPolarHBondContact O-CD 3.27Å; R192-P195 WeakPolarHBondContact O-CD 3.29Å; R192-P195 WeakPolarHBondContact O-CG 3.24Å; P195-Y198 PolarHBondContact O-N 3.48Å; P195-A199 WeakPolarHBondContact O-CB 3.36Å; P195-A199 PolarHBondContact O-N 2.83Å; P195-V275 HydrophobicContact CB-CG1 4.15Å; P195-V275 WeakPolarHBondContact O-CG1 3.44Å |
| 196 | V | 90.3 | Very high | 86.6 | Confident | 37 Ų | 37 | 51.2 Ų | 51.2 | 22% | 0.224 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 176.1 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | R192 Y194 Y198 A199 T200 V275 S279 | R192-V196 WeakPolarHBondContact O-CB 3.27Å; R192-V196 VanDerWaalsContact O-CG2 3.25Å; R192-V196 WeakPolarHBondContact O-CG2 3.46Å; R192-V196 PolarHBondContact O-N 3.4Å; Y194-V196 VanDerWaalsContact C-N 3.33Å; Y194-V196 PolarHBondContact O-N 3.33Å; V196-Y198 PolarHBondContact O-N 2.87Å; V196-A199 PolarHBondContact O-N 3.48Å; V196-T200 HydrophobicContact CG1-CG2 4.27Å; V196-T200 VanDerWaalsContact O-CG2 3.23Å; V196-T200 WeakPolarHBondContact O-CG2 3.24Å; V196-T200 PolarHBondContact O-N 2.85Å; V196-T200 PolarHBondContact O-OG1 3.02Å; V196-V275 HydrophobicContact CG2-CG1 4.28Å; V196-S279 WeakPolarHBondContact CG2-OG 3.45Å |
| 197 | L | 92.2 | Very high | 87.4 | Confident | 63 Ų | 63 | 56 Ų | 56 | 33% | 0.33 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.5 | -47.7 | 175.4 | -175.8 | 67.3 | 0 | 0 | 0 | 110.8 | F160 M163 V193 Y194 A199 T200 V201 | F160-L197 HydrophobicContact CE2-CD2 3.64Å; F160-L197 HydrophobicContact CE2-CG 3.74Å; F160-L197 HydrophobicContact CZ-CB 4.35Å; F160-L197 HydrophobicContact CZ-CD2 3.87Å; F160-L197 HydrophobicContact CZ-CG 3.78Å; M163-L197 HydrophobicContact SD-CD2 4.34Å; V193-L197 WeakPolarHBondContact O-CB 3.2Å; V193-L197 PolarHBondContact O-N 3.06Å; Y194-L197 PolarHBondContact O-N 3.43Å; L197-A199 PolarHBondContact O-N 2.85Å; L197-T200 WeakPolarHBondContact CA-OG1 3.03Å; L197-T200 PolarHBondContact O-N 3.3Å; L197-T200 PolarHBondContact O-OG1 3.49Å; L197-V201 WeakPolarHBondContact O-CG2 3.46Å; L197-V201 PolarHBondContact O-N 3.24Å |
| 198 | Y | 92.5 | Very high | 88.5 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.5 | -49.7 | 175.3 | -179 | -96.2 | 0 | 0 | 0 | 111.3 | T110 S113 L114 F160 F181 I182 Y194 P195 V196 T200 V201 M202 L271 | T110-Y198 HydrophobicContact CG2-CE2 4.29Å; S113-Y198 WeakPolarHBondContact CB-OH 3.29Å; S113-Y198 PolarHBondContact OG-OH 3.1Å; L114-Y198 HydrophobicContact CB-CE2 4.38Å; F160-Y198 HydrophobicContact CD1-CD2 4.45Å; F160-Y198 AromaticContact CE1-CD2 3.81Å; F160-Y198 HydrophobicContact CE1-CD2 3.81Å; F160-Y198 HydrophobicContact CE1-CG 4.44Å; F181-Y198 HydrophobicContact CE1-CE1 4.47Å; F181-Y198 AromaticContact CZ-CE1 3.85Å; F181-Y198 HydrophobicContact CZ-CE1 3.85Å; I182-Y198 HydrophobicContact CD1-CD1 3.87Å; I182-Y198 HydrophobicContact CD1-CD2 3.99Å; I182-Y198 HydrophobicContact CD1-CE1 4.43Å; I182-Y198 HydrophobicContact CD1-CG 3.62Å; Y194-Y198 WeakPolarHBondContact O-CB 3.2Å; Y194-Y198 PolarHBondContact O-N 2.91Å; P195-Y198 PolarHBondContact O-N 3.48Å; V196-Y198 PolarHBondContact O-N 2.87Å; Y198-T200 VanDerWaalsContact C-N 3.34Å; Y198-T200 PolarHBondContact O-N 3.26Å; Y198-V201 PolarHBondContact O-N 2.95Å; Y198-M202 HydrophobicContact CD1-CG 3.87Å; Y198-M202 HydrophobicContact CE1-CE 4.44Å; Y198-M202 HydrophobicContact CE1-CG 3.6Å; Y198-M202 HydrophobicContact CE1-SD 3.77Å; Y198-M202 HydrophobicContact CE2-CG 4.44Å; Y198-M202 HydrophobicContact CE2-SD 4.25Å; Y198-M202 HydrophobicContact CG-CG 4.39Å; Y198-M202 VanDerWaalsContact CZ-SD 3.58Å; Y198-M202 WeakPolarHBondContact O-CB 3.49Å; Y198-M202 WeakPolarHBondContact O-CG 3.3Å; Y198-M202 PolarHBondContact O-N 3.45Å; Y198-M202 PolarHBondContact OH-SD 3.43Å; Y198-L271 HydrophobicContact CE1-CD2 3.84Å |
| 199 | A | 92.7 | Very high | 89.3 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.4 | -37.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | P195 V196 L197 L203 V275 Y276 | P195-A199 WeakPolarHBondContact O-CB 3.36Å; P195-A199 PolarHBondContact O-N 2.83Å; V196-A199 PolarHBondContact O-N 3.48Å; L197-A199 PolarHBondContact O-N 2.85Å; A199-L203 VanDerWaalsContact O-CB 3.28Å; A199-L203 WeakPolarHBondContact O-CB 3.49Å; A199-L203 PolarHBondContact O-N 3.36Å; A199-V275 HydrophobicContact CB-CB 3.83Å; A199-V275 HydrophobicContact CB-CG1 3.66Å; A199-V275 HydrophobicContact CB-CG2 4.3Å; A199-Y276 HydrophobicContact CB-CE2 4.5Å |
| 200 | T | 93.5 | Very high | 90.1 | Very high | 39 Ų | 39 | 42.8 Ų | 42.8 | 24% | 0.239 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.8 | -42.1 | 174.9 | 64.2 | 0 | 0 | 0 | 0 | 112 | V196 L197 Y198 L203 I204 Y276 | V196-T200 HydrophobicContact CG1-CG2 4.27Å; V196-T200 VanDerWaalsContact O-CG2 3.23Å; V196-T200 WeakPolarHBondContact O-CG2 3.24Å; V196-T200 PolarHBondContact O-N 2.85Å; V196-T200 PolarHBondContact O-OG1 3.02Å; L197-T200 WeakPolarHBondContact CA-OG1 3.03Å; L197-T200 PolarHBondContact O-N 3.3Å; L197-T200 PolarHBondContact O-OG1 3.49Å; Y198-T200 VanDerWaalsContact C-N 3.34Å; Y198-T200 PolarHBondContact O-N 3.26Å; T200-L203 PolarHBondContact O-N 3.49Å; T200-I204 WeakPolarHBondContact O-CB 3.31Å; T200-I204 WeakPolarHBondContact O-CD1 3.36Å; T200-I204 VanDerWaalsContact O-CG1 3.23Å; T200-I204 WeakPolarHBondContact O-CG1 3.44Å; T200-I204 PolarHBondContact O-N 2.89Å; T200-Y276 HydrophobicContact CG2-CE1 4.38Å; T200-Y276 WeakPolarHBondContact CG2-OH 3.35Å |
| 201 | V | 94.6 | Very high | 90.8 | Very high | 39 Ų | 39 | 38.6 Ų | 38.6 | 24% | 0.236 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.3 | -46.1 | 177.4 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | L114 F160 L197 Y198 L203 I204 L205 | L114-V201 HydrophobicContact CD1-CG1 3.73Å; F160-V201 HydrophobicContact CE2-CG2 3.99Å; F160-V201 HydrophobicContact CZ-CG2 4.41Å; L197-V201 WeakPolarHBondContact O-CG2 3.46Å; L197-V201 PolarHBondContact O-N 3.24Å; Y198-V201 PolarHBondContact O-N 2.95Å; V201-L203 VanDerWaalsContact C-N 3.34Å; V201-L203 PolarHBondContact O-N 3Å; V201-I204 PolarHBondContact O-N 3.45Å; V201-L205 HydrophobicContact CG1-CD1 3.97Å; V201-L205 WeakPolarHBondContact O-CB 3.44Å; V201-L205 WeakPolarHBondContact O-CG 3.37Å; V201-L205 PolarHBondContact O-N 3.34Å |
| 202 | M | 92.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -53 | -50.6 | 172 | -66.9 | -79.6 | -63.2 | 0 | 0 | 111 | L117 Y198 L205 V206 L271 V272 L297 | L117-M202 HydrophobicContact CD1-CB 4.4Å; L117-M202 HydrophobicContact CD1-CE 3.61Å; L117-M202 HydrophobicContact CD1-CG 4.4Å; L117-M202 HydrophobicContact CD1-SD 3.27Å; L117-M202 WeakPolarHBondContact CD1-SD 3.22Å; Y198-M202 HydrophobicContact CD1-CG 3.87Å; Y198-M202 HydrophobicContact CE1-CE 4.44Å; Y198-M202 HydrophobicContact CE1-CG 3.6Å; Y198-M202 HydrophobicContact CE1-SD 3.77Å; Y198-M202 HydrophobicContact CE2-CG 4.44Å; Y198-M202 HydrophobicContact CE2-SD 4.25Å; Y198-M202 HydrophobicContact CG-CG 4.39Å; Y198-M202 VanDerWaalsContact CZ-SD 3.58Å; Y198-M202 WeakPolarHBondContact O-CB 3.49Å; Y198-M202 WeakPolarHBondContact O-CG 3.3Å; Y198-M202 PolarHBondContact O-N 3.45Å; Y198-M202 PolarHBondContact OH-SD 3.43Å; M202-L205 PolarHBondContact O-N 2.95Å; M202-V206 WeakPolarHBondContact O-CB 3.46Å; M202-V206 VanDerWaalsContact O-CG2 3.25Å; M202-V206 WeakPolarHBondContact O-CG2 3.27Å; M202-V206 PolarHBondContact O-N 2.95Å; M202-L271 HydrophobicContact CE-CD2 4.47Å; M202-V272 HydrophobicContact CB-CG2 3.89Å; M202-L297 HydrophobicContact CE-CD1 3.77Å |
| 203 | L | 93.7 | Very high | 91.7 | Very high | 46 Ų | 46 | 35.4 Ų | 35.4 | 24% | 0.241 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.9 | -44 | -179.3 | -178.5 | 60.1 | 0 | 0 | 0 | 112.5 | A199 T200 V201 V206 L207 V272 Y276 | A199-L203 VanDerWaalsContact O-CB 3.28Å; A199-L203 WeakPolarHBondContact O-CB 3.49Å; A199-L203 PolarHBondContact O-N 3.36Å; T200-L203 PolarHBondContact O-N 3.49Å; V201-L203 VanDerWaalsContact C-N 3.34Å; V201-L203 PolarHBondContact O-N 3Å; L203-V206 PolarHBondContact O-N 3.46Å; L203-L207 HydrophobicContact CD1-CD1 4.03Å; L203-L207 HydrophobicContact CD1-CG 4.07Å; L203-L207 HydrophobicContact CG-CD1 3.94Å; L203-L207 HydrophobicContact CG-CG 4.38Å; L203-L207 WeakPolarHBondContact O-CB 3.41Å; L203-L207 VanDerWaalsContact O-CG 3.28Å; L203-L207 WeakPolarHBondContact O-CG 3.23Å; L203-L207 PolarHBondContact O-N 3.26Å; L203-V272 HydrophobicContact CB-CG1 4.09Å; L203-V272 HydrophobicContact CD1-CG1 4.43Å; L203-V272 HydrophobicContact CD2-CG1 4.49Å; L203-Y276 HydrophobicContact CD2-CE2 4.01Å |
| 204 | I | 95 | Very high | 91.7 | Very high | 112 Ų | 112 | 34 Ų | 34 | 57% | 0.574 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -61.9 | -44.7 | 177.8 | -71.6 | 164.4 | 0 | 0 | 0 | 110.4 | T200 V201 L207 A208 | T200-I204 WeakPolarHBondContact O-CB 3.31Å; T200-I204 WeakPolarHBondContact O-CD1 3.36Å; T200-I204 VanDerWaalsContact O-CG1 3.23Å; T200-I204 WeakPolarHBondContact O-CG1 3.44Å; T200-I204 PolarHBondContact O-N 2.89Å; V201-I204 PolarHBondContact O-N 3.45Å; I204-L207 PolarHBondContact O-N 2.95Å; I204-A208 VanDerWaalsContact O-CB 3.23Å; I204-A208 WeakPolarHBondContact O-CB 3.29Å; I204-A208 PolarHBondContact O-N 3.21Å |
| 205 | L | 94 | Very high | 91.7 | Very high | 23 Ų | 23 | 37.8 Ų | 37.8 | 12% | 0.12 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.2 | -46.3 | 176.4 | -70.7 | 169.3 | 0 | 0 | 0 | 111.2 | L114 L117 F121 V201 M202 L207 A208 I209 | L114-L205 HydrophobicContact CD1-CD1 3.75Å; L117-L205 HydrophobicContact CB-CD1 4.1Å; L117-L205 HydrophobicContact CD1-CD1 4.41Å; L117-L205 HydrophobicContact CD2-CB 4.02Å; F121-L205 HydrophobicContact CB-CD2 4.15Å; F121-L205 HydrophobicContact CD1-CD2 4.2Å; F121-L205 HydrophobicContact CG-CD2 4.2Å; V201-L205 HydrophobicContact CG1-CD1 3.97Å; V201-L205 WeakPolarHBondContact O-CB 3.44Å; V201-L205 WeakPolarHBondContact O-CG 3.37Å; V201-L205 PolarHBondContact O-N 3.34Å; M202-L205 PolarHBondContact O-N 2.95Å; L205-L207 PolarHBondContact O-N 3.32Å; L205-A208 PolarHBondContact O-N 3.4Å; L205-I209 VanDerWaalsContact O-CB 3.27Å; L205-I209 WeakPolarHBondContact O-CB 3.32Å; L205-I209 WeakPolarHBondContact O-CD1 3.42Å; L205-I209 WeakPolarHBondContact O-CG1 3.12Å; L205-I209 PolarHBondContact O-N 3.14Å |
| 206 | V | 91.3 | Very high | 91.3 | Very high | 8 Ų | 8 | 37.8 Ų | 37.8 | 5% | 0.048 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.7 | -46.7 | 176.3 | 169.4 | 0 | 0 | 0 | 0 | 112.2 | L117 M202 L203 I209 A210 F264 V265 | L117-V206 HydrophobicContact CD2-CG2 4.19Å; M202-V206 WeakPolarHBondContact O-CB 3.46Å; M202-V206 VanDerWaalsContact O-CG2 3.25Å; M202-V206 WeakPolarHBondContact O-CG2 3.27Å; M202-V206 PolarHBondContact O-N 2.95Å; L203-V206 PolarHBondContact O-N 3.46Å; V206-I209 PolarHBondContact O-N 2.62Å; V206-A210 WeakPolarHBondContact O-CB 3.44Å; V206-A210 PolarHBondContact O-N 2.7Å; V206-F264 HydrophobicContact CG2-CD1 3.87Å; V206-F264 HydrophobicContact CG2-CE1 3.59Å; V206-V265 HydrophobicContact CG1-CG2 3.73Å |
| 207 | L | 92.9 | Very high | 91 | Very high | 104 Ų | 104 | 39.1 Ų | 39.1 | 55% | 0.545 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.6 | -40.5 | 178.8 | -70.2 | 173.6 | 0 | 0 | 0 | 111.9 | L203 I204 L205 A210 A211 | L203-L207 HydrophobicContact CD1-CD1 4.03Å; L203-L207 HydrophobicContact CD1-CG 4.07Å; L203-L207 HydrophobicContact CG-CD1 3.94Å; L203-L207 HydrophobicContact CG-CG 4.38Å; L203-L207 WeakPolarHBondContact O-CB 3.41Å; L203-L207 VanDerWaalsContact O-CG 3.28Å; L203-L207 WeakPolarHBondContact O-CG 3.23Å; L203-L207 PolarHBondContact O-N 3.26Å; I204-L207 PolarHBondContact O-N 2.95Å; L205-L207 PolarHBondContact O-N 3.32Å; L207-A210 PolarHBondContact O-N 2.92Å; L207-A211 VanDerWaalsContact O-CB 3.31Å; L207-A211 WeakPolarHBondContact O-CB 3.46Å; L207-A211 PolarHBondContact O-N 3.4Å |
| 208 | A | 93.7 | Very high | 90.6 | Very high | 29 Ų | 29 | 43.2 Ų | 43.2 | 24% | 0.24 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.9 | -43.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F121 I204 L205 A211 C212 | F121-A208 HydrophobicContact CD2-CB 3.97Å; F121-A208 HydrophobicContact CE2-CB 3.68Å; F121-A208 HydrophobicContact CZ-CB 4.49Å; I204-A208 VanDerWaalsContact O-CB 3.23Å; I204-A208 WeakPolarHBondContact O-CB 3.29Å; I204-A208 PolarHBondContact O-N 3.21Å; L205-A208 PolarHBondContact O-N 3.4Å; A208-A211 PolarHBondContact O-N 2.93Å; A208-C212 VanDerWaalsContact O-CB 3.27Å; A208-C212 WeakPolarHBondContact O-CB 3.47Å; A208-C212 PolarHBondContact O-N 3.5Å; A208-C212 PolarHBondContact O-SG 3.04Å |
| 209 | I | 90.8 | Very high | 90.1 | Very high | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58 | -49.6 | 172.4 | -74.8 | 165.2 | 0 | 0 | 0 | 110.8 | L117 L120 F121 L205 V206 C212 N213 T261 | L117-I209 HydrophobicContact CD2-CD1 3.59Å; L120-I209 HydrophobicContact CB-CD1 4.02Å; F121-I209 HydrophobicContact CB-CD1 4.04Å; F121-I209 HydrophobicContact CB-CG1 3.77Å; F121-I209 HydrophobicContact CD2-CG1 4.1Å; F121-I209 HydrophobicContact CG-CG1 4.44Å; L205-I209 VanDerWaalsContact O-CB 3.27Å; L205-I209 WeakPolarHBondContact O-CB 3.32Å; L205-I209 WeakPolarHBondContact O-CD1 3.42Å; L205-I209 WeakPolarHBondContact O-CG1 3.12Å; L205-I209 PolarHBondContact O-N 3.14Å; V206-I209 PolarHBondContact O-N 2.62Å; I209-C212 WeakPolarHBondContact O-CB 3.47Å; I209-C212 PolarHBondContact O-N 3.31Å; I209-N213 PolarHBondContact O-N 3.02Å; I209-T261 HydrophobicContact CG2-CG2 3.15Å |
| 210 | A | 89.9 | Confident | 89.4 | Confident | 44 Ų | 44 | 48.2 Ų | 48.2 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V206 L207 N213 A214 | V206-A210 WeakPolarHBondContact O-CB 3.44Å; V206-A210 PolarHBondContact O-N 2.7Å; L207-A210 PolarHBondContact O-N 2.92Å; A210-N213 PolarHBondContact O-N 2.94Å; A210-A214 WeakPolarHBondContact O-CB 3.31Å; A210-A214 PolarHBondContact O-N 3Å |
| 211 | A | 91.6 | Very high | 88.7 | Confident | 62 Ų | 62 | 50 Ų | 50 | 51% | 0.512 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.7 | -43 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L207 A208 N213 A214 F215 | L207-A211 VanDerWaalsContact O-CB 3.31Å; L207-A211 WeakPolarHBondContact O-CB 3.46Å; L207-A211 PolarHBondContact O-N 3.4Å; A208-A211 PolarHBondContact O-N 2.93Å; A211-N213 VanDerWaalsContact C-N 3.35Å; A211-N213 PolarHBondContact O-N 3.3Å; A211-A214 PolarHBondContact O-N 3.07Å; A211-F215 WeakPolarHBondContact O-CB 3.5Å; A211-F215 PolarHBondContact O-N 3.14Å |
| 212 | C | 89.8 | Confident | 88.2 | Confident | 21 Ų | 21 | 50.3 Ų | 50.3 | 14% | 0.142 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56 | -48.6 | 173.1 | -77.9 | 0 | 0 | 0 | 0 | 111.5 | A124 C128 A208 I209 F215 V216 | A124-C212 HydrophobicContact CB-CB 3.81Å; C128-C212 VanDerWaalsContact SG-C 3.52Å; C128-C212 WeakPolarHBondContact SG-CA 3.33Å; C128-C212 WeakPolarHBondContact SG-CB 3.36Å; C128-C212 PolarHBondContact SG-O 3.5Å; C128-C212 VanDerWaalsContact SG-SG 3.7Å; A208-C212 VanDerWaalsContact O-CB 3.27Å; A208-C212 WeakPolarHBondContact O-CB 3.47Å; A208-C212 PolarHBondContact O-N 3.5Å; A208-C212 PolarHBondContact O-SG 3.04Å; I209-C212 WeakPolarHBondContact O-CB 3.47Å; I209-C212 PolarHBondContact O-N 3.31Å; C212-F215 WeakPolarHBondContact O-CB 3.3Å; C212-F215 PolarHBondContact O-N 2.76Å; C212-V216 WeakPolarHBondContact O-CG2 3.44Å; C212-V216 PolarHBondContact O-N 3.06Å |
| 213 | N | 88.3 | Confident | 87.4 | Confident | 10 Ų | 10 | 53.5 Ų | 53.5 | 5% | 0.053 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.7 | -41.8 | -179.5 | -76.5 | 13.8 | 0 | 0 | 0 | 112.6 | I209 A210 A211 F215 V216 V217 L257 T261 | I209-N213 PolarHBondContact O-N 3.02Å; A210-N213 PolarHBondContact O-N 2.94Å; A211-N213 VanDerWaalsContact C-N 3.35Å; A211-N213 PolarHBondContact O-N 3.3Å; N213-F215 VanDerWaalsContact C-N 3.33Å; N213-F215 PolarHBondContact O-N 3.43Å; N213-V216 PolarHBondContact O-N 3.41Å; N213-V217 WeakPolarHBondContact O-CG2 3.45Å; N213-V217 PolarHBondContact O-N 3.49Å; N213-L257 WeakPolarHBondContact ND2-CD2 3.4Å; N213-L257 PolarHBondContact ND2-O 3.35Å; N213-L257 WeakPolarHBondContact OD1-CD2 3.2Å; N213-T261 WeakPolarHBondContact ND2-CG2 3.26Å; N213-T261 PolarHBondContact ND2-OG1 3.32Å |
| 214 | A | 87.4 | Confident | 86.6 | Confident | 61 Ų | 61 | 59.2 Ų | 59.2 | 50% | 0.504 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.1 | -43.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A210 A211 V217 Y218 | A210-A214 WeakPolarHBondContact O-CB 3.31Å; A210-A214 PolarHBondContact O-N 3Å; A211-A214 PolarHBondContact O-N 3.07Å; A214-V217 PolarHBondContact O-N 2.96Å; A214-Y218 VanDerWaalsContact O-CB 3.31Å; A214-Y218 WeakPolarHBondContact O-CB 3.45Å; A214-Y218 PolarHBondContact O-N 2.84Å |
| 215 | F | 88.1 | Confident | 85.9 | Confident | 84 Ų | 84 | 62 Ų | 62 | 37% | 0.368 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.3 | -45.8 | 175.1 | 173.6 | -95 | 0 | 0 | 0 | 112.2 | C128 A211 C212 N213 Y218 H219 | C128-F215 HydrophobicContact CB-CD1 4.33Å; A211-F215 WeakPolarHBondContact O-CB 3.5Å; A211-F215 PolarHBondContact O-N 3.14Å; C212-F215 WeakPolarHBondContact O-CB 3.3Å; C212-F215 PolarHBondContact O-N 2.76Å; N213-F215 VanDerWaalsContact C-N 3.33Å; N213-F215 PolarHBondContact O-N 3.43Å; F215-Y218 PolarHBondContact O-N 3.34Å; F215-H219 AromaticContact CD2-CD2 3.78Å; F215-H219 AromaticContact CE1-CD2 4Å; F215-H219 AromaticContact CE2-CD2 3.38Å; F215-H219 WeakPolarHBondContact CE2-CD2 3.25Å; F215-H219 AromaticContact CE2-NE2 3.24Å; F215-H219 WeakPolarHBondContact CE2-NE2 3.41Å; F215-H219 AromaticContact CZ-CD2 3.5Å; F215-H219 VanDerWaalsContact CZ-CD2 3.5Å; F215-H219 WeakPolarHBondContact CZ-CD2 3.2Å; F215-H219 AromaticContact CZ-NE2 3.46Å; F215-H219 WeakPolarHBondContact CZ-NE2 3.24Å; F215-H219 PolarHBondContact O-CD2 3.46Å; F215-H219 PolarHBondContact O-N 2.84Å |
| 216 | V | 82.9 | Confident | 85.2 | Confident | 4 Ų | 4 | 68.4 Ų | 68.4 | 2% | 0.024 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.1 | -46.5 | 177.6 | 168.5 | 0 | 0 | 0 | 0 | 111.6 | R127 C128 I131 C212 N213 Y218 H219 L220 L254 | R127-V216 HydrophobicContact CB-CG2 4.35Å; C128-V216 HydrophobicContact CB-CG2 4.25Å; I131-V216 HydrophobicContact CD1-CG1 3.58Å; C212-V216 WeakPolarHBondContact O-CG2 3.44Å; C212-V216 PolarHBondContact O-N 3.06Å; N213-V216 PolarHBondContact O-N 3.41Å; V216-Y218 PolarHBondContact O-N 3.2Å; V216-H219 PolarHBondContact O-N 2.94Å; V216-L220 VanDerWaalsContact O-CB 3.31Å; V216-L220 WeakPolarHBondContact O-CB 3.29Å; V216-L220 PolarHBondContact O-N 3.13Å; V216-L254 HydrophobicContact CG1-CD1 3.77Å; V216-L254 HydrophobicContact CG1-CD2 3.62Å; V216-L254 HydrophobicContact CG1-CG 4.24Å |
| 217 | V | 82.4 | Confident | 84.2 | Confident | 65 Ų | 65 | 74 Ų | 74 | 39% | 0.394 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 176.9 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | N213 A214 L220 V221 V258 | N213-V217 WeakPolarHBondContact O-CG2 3.45Å; N213-V217 PolarHBondContact O-N 3.49Å; A214-V217 PolarHBondContact O-N 2.96Å; V217-L220 PolarHBondContact O-N 3.42Å; V217-V221 HydrophobicContact CG1-CG2 4.37Å; V217-V221 WeakPolarHBondContact O-CB 3.5Å; V217-V221 WeakPolarHBondContact O-CG2 3.44Å; V217-V221 PolarHBondContact O-N 2.85Å; V217-V258 HydrophobicContact CG2-CG2 3.94Å |
| 218 | Y | 85.2 | Confident | 83.4 | Confident | 150 Ų | 150 | 77 Ų | 77 | 59% | 0.588 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -58.5 | -51.1 | 176.7 | 174.1 | -94.1 | 0 | 0 | 0 | 112.2 | A214 F215 V216 L220 V221 L222 | A214-Y218 VanDerWaalsContact O-CB 3.31Å; A214-Y218 WeakPolarHBondContact O-CB 3.45Å; A214-Y218 PolarHBondContact O-N 2.84Å; F215-Y218 PolarHBondContact O-N 3.34Å; V216-Y218 PolarHBondContact O-N 3.2Å; Y218-L220 VanDerWaalsContact C-N 3.31Å; Y218-L220 PolarHBondContact O-N 2.88Å; Y218-V221 PolarHBondContact O-N 3.47Å; Y218-L222 HydrophobicContact CE1-CD2 4.22Å; Y218-L222 WeakPolarHBondContact O-CB 3.45Å; Y218-L222 PolarHBondContact O-N 3.12Å |
| 219 | H | 81.6 | Confident | 82.5 | Confident | 55 Ų | 55 | 82.2 Ų | 82.2 | 26% | 0.255 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.5 | -38.7 | 178.5 | -90.6 | -94.8 | 0 | 0 | 0 | 112.2 | I131 F215 V216 L222 M223 | I131-H219 HydrophobicContact CG2-CB 4.29Å; F215-H219 AromaticContact CD2-CD2 3.78Å; F215-H219 AromaticContact CE1-CD2 4Å; F215-H219 AromaticContact CE2-CD2 3.38Å; F215-H219 WeakPolarHBondContact CE2-CD2 3.25Å; F215-H219 AromaticContact CE2-NE2 3.24Å; F215-H219 WeakPolarHBondContact CE2-NE2 3.41Å; F215-H219 AromaticContact CZ-CD2 3.5Å; F215-H219 VanDerWaalsContact CZ-CD2 3.5Å; F215-H219 WeakPolarHBondContact CZ-CD2 3.2Å; F215-H219 AromaticContact CZ-NE2 3.46Å; F215-H219 WeakPolarHBondContact CZ-NE2 3.24Å; F215-H219 PolarHBondContact O-CD2 3.46Å; F215-H219 PolarHBondContact O-N 2.84Å; V216-H219 PolarHBondContact O-N 2.94Å; H219-L222 PolarHBondContact O-N 3.3Å; H219-M223 WeakPolarHBondContact O-CB 3.46Å; H219-M223 VanDerWaalsContact O-CG 3.3Å; H219-M223 WeakPolarHBondContact O-CG 3.14Å; H219-M223 PolarHBondContact O-N 2.84Å |
| 220 | L | 77.8 | Confident | 81.3 | Confident | 51 Ų | 51 | 88 Ų | 88 | 27% | 0.267 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.1 | -45.8 | 177 | -171.9 | 73.1 | 0 | 0 | 0 | 112.1 | V216 V217 Y218 L222 M223 Y224 V251 L254 | V216-L220 VanDerWaalsContact O-CB 3.31Å; V216-L220 WeakPolarHBondContact O-CB 3.29Å; V216-L220 PolarHBondContact O-N 3.13Å; V217-L220 PolarHBondContact O-N 3.42Å; Y218-L220 VanDerWaalsContact C-N 3.31Å; Y218-L220 PolarHBondContact O-N 2.88Å; L220-L222 VanDerWaalsContact C-N 3.33Å; L220-L222 PolarHBondContact O-N 3.27Å; L220-M223 PolarHBondContact O-N 2.9Å; L220-Y224 WeakPolarHBondContact O-CB 3.14Å; L220-Y224 PolarHBondContact O-N 3.42Å; L220-V251 HydrophobicContact CD1-CG2 3.49Å; L220-V251 VanDerWaalsContact CD1-CG2 3.49Å; L220-V251 HydrophobicContact CD2-CG1 4.1Å; L220-V251 HydrophobicContact CD2-CG2 3.78Å; L220-V251 HydrophobicContact CG-CG2 4.23Å; L220-L254 HydrophobicContact CD2-CD1 4.07Å |
| 221 | V | 79.8 | Confident | 79.8 | Confident | 76 Ų | 76 | 87.9 Ų | 87.9 | 46% | 0.461 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.7 | -40.7 | 175.8 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | V217 Y218 Y224 R225 | V217-V221 HydrophobicContact CG1-CG2 4.37Å; V217-V221 WeakPolarHBondContact O-CB 3.5Å; V217-V221 WeakPolarHBondContact O-CG2 3.44Å; V217-V221 PolarHBondContact O-N 2.85Å; Y218-V221 PolarHBondContact O-N 3.47Å; V221-Y224 PolarHBondContact O-N 3.42Å; V221-R225 HydrophobicContact CG1-CG 4.45Å; V221-R225 WeakPolarHBondContact O-CG 3.5Å; V221-R225 PolarHBondContact O-N 2.91Å |
| 222 | L | 83.2 | Confident | 78 | Confident | 47 Ų | 47 | 88.9 Ų | 88.9 | 25% | 0.246 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -62.8 | -44 | 175.5 | -177.9 | 60.7 | 0 | 0 | 0 | 111.8 | Y218 H219 L220 R225 R226 | Y218-L222 HydrophobicContact CE1-CD2 4.22Å; Y218-L222 WeakPolarHBondContact O-CB 3.45Å; Y218-L222 PolarHBondContact O-N 3.12Å; H219-L222 PolarHBondContact O-N 3.3Å; L220-L222 VanDerWaalsContact C-N 3.33Å; L220-L222 PolarHBondContact O-N 3.27Å; L222-R225 PolarHBondContact O-N 3.38Å; L222-R226 HydrophobicContact CD1-CG 4.44Å; L222-R226 WeakPolarHBondContact O-CB 3.33Å; L222-R226 VanDerWaalsContact O-CG 3.29Å; L222-R226 WeakPolarHBondContact O-CG 3.28Å; L222-R226 PolarHBondContact O-N 3.38Å |
| 223 | M | 76.8 | Confident | 76.1 | Confident | 67 Ų | 67 | 92.2 Ų | 92.2 | 33% | 0.33 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.1 | -41 | 173.7 | -74.2 | 174 | 67.6 | 0 | 0 | 112 | H219 L220 R227 M247 | H219-M223 WeakPolarHBondContact O-CB 3.46Å; H219-M223 VanDerWaalsContact O-CG 3.3Å; H219-M223 WeakPolarHBondContact O-CG 3.14Å; H219-M223 PolarHBondContact O-N 2.84Å; L220-M223 PolarHBondContact O-N 2.9Å; M223-R227 WeakPolarHBondContact O-CB 3.29Å; M223-R227 VanDerWaalsContact O-CG 3.29Å; M223-R227 WeakPolarHBondContact O-CG 3.21Å; M223-R227 PolarHBondContact O-N 3.42Å; M223-M247 HydrophobicContact CE-SD 4.49Å |
| 224 | Y | 75.3 | Confident | 74.2 | Confident | 165 Ų | 165 | 97.1 Ų | 97.1 | 65% | 0.647 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.2 | -47.6 | 176.4 | -177.3 | -100.8 | 0 | 0 | 0 | 111.9 | L220 V221 R227 K228 | L220-Y224 WeakPolarHBondContact O-CB 3.14Å; L220-Y224 PolarHBondContact O-N 3.42Å; V221-Y224 PolarHBondContact O-N 3.42Å; Y224-R227 PolarHBondContact O-N 2.91Å; Y224-K228 PolarHBondContact O-N 3.18Å |
| 225 | R | 80.5 | Confident | 72.4 | Confident | 170 Ų | 170 | 100.7 Ų | 100.7 | 64% | 0.642 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.8 | -47.4 | 176.2 | -70.8 | -177.2 | 78 | -175.4 | 4.7 | 111.7 | V221 L222 R227 K228 L229 | V221-R225 HydrophobicContact CG1-CG 4.45Å; V221-R225 WeakPolarHBondContact O-CG 3.5Å; V221-R225 PolarHBondContact O-N 2.91Å; L222-R225 PolarHBondContact O-N 3.38Å; R225-R227 VanDerWaalsContact C-N 3.3Å; R225-R227 PolarHBondContact O-N 3.49Å; R225-K228 PolarHBondContact O-N 3.47Å; R225-L229 WeakPolarHBondContact O-CG 3.19Å; R225-L229 PolarHBondContact O-N 3.08Å |
| 226 | R | 80.6 | Confident | 70.4 | Confident | 158 Ų | 158 | 100.5 Ų | 100.5 | 60% | 0.596 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58.2 | -39.9 | 175.8 | -73.4 | 175.8 | -179.4 | -171.3 | 1.2 | 112.1 | L222 N230 | L222-R226 HydrophobicContact CD1-CG 4.44Å; L222-R226 WeakPolarHBondContact O-CB 3.33Å; L222-R226 VanDerWaalsContact O-CG 3.29Å; L222-R226 WeakPolarHBondContact O-CG 3.28Å; L222-R226 PolarHBondContact O-N 3.38Å; R226-N230 WeakPolarHBondContact O-CB 3.27Å; R226-N230 PolarHBondContact O-N 2.95Å |
| 227 | R | 69.8 | Low | 69 | Low | 127 Ų | 127 | 110.6 Ų | 110.6 | 48% | 0.479 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -71 | -34.5 | 176 | -74.5 | 176.9 | -176 | 175.1 | 6.3 | 113.5 | M223 Y224 R225 G231 M247 | M223-R227 WeakPolarHBondContact O-CB 3.29Å; M223-R227 VanDerWaalsContact O-CG 3.29Å; M223-R227 WeakPolarHBondContact O-CG 3.21Å; M223-R227 PolarHBondContact O-N 3.42Å; Y224-R227 PolarHBondContact O-N 2.91Å; R225-R227 VanDerWaalsContact C-N 3.3Å; R225-R227 PolarHBondContact O-N 3.49Å; R227-G231 WeakPolarHBondContact O-CA 3.26Å; R227-G231 PolarHBondContact O-N 3.33Å; R227-G231 VanDerWaalsContact O-N 3.12Å; R227-M247 PolarHBondContact NH2-SD 3.19Å; R227-M247 VanDerWaalsContact NH2-SD 3.39Å |
| 228 | K | 74.9 | Confident | 67.5 | Low | 165 Ų | 165 | 112.3 Ų | 112.3 | 72% | 0.717 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.9 | -42 | 174.4 | -173.1 | 176.3 | 179 | -179.9 | 0 | 111.1 | Y224 R225 G231 | Y224-K228 PolarHBondContact O-N 3.18Å; R225-K228 PolarHBondContact O-N 3.47Å; K228-G231 PolarHBondContact O-N 3.2Å |
| 229 | L | 75.1 | Confident | 65.9 | Low | 140 Ų | 140 | 112.4 Ų | 112.4 | 73% | 0.733 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.6 | -46.8 | 176.8 | -66 | 167.6 | 0 | 0 | 0 | 111.8 | R225 G231 | R225-L229 WeakPolarHBondContact O-CG 3.19Å; R225-L229 PolarHBondContact O-N 3.08Å; L229-G231 PolarHBondContact O-N 3.26Å; L229-G231 VanDerWaalsContact O-N 3.14Å |
| 230 | N | 66.1 | Low | 64.4 | Low | 127 Ų | 127 | 114.3 Ų | 114.3 | 68% | 0.679 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -82.7 | 19.1 | 177.5 | -64.7 | 8.1 | 0 | 0 | 0 | 113.1 | R226 G232 | R226-N230 WeakPolarHBondContact O-CB 3.27Å; R226-N230 PolarHBondContact O-N 2.95Å; N230-G232 VanDerWaalsContact C-N 3.25Å; N230-G232 PolarHBondContact O-N 3.22Å |
| 231 | G | 58.5 | Low | 62.9 | Low | 41 Ų | 41 | 116.5 Ų | 116.5 | 42% | 0.423 | 60% | 0.598 | S | S | . | * | G | 310 helix | trans | -68.4 | -22.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R227 K228 L229 | R227-G231 WeakPolarHBondContact O-CA 3.26Å; R227-G231 PolarHBondContact O-N 3.33Å; R227-G231 VanDerWaalsContact O-N 3.12Å; K228-G231 PolarHBondContact O-N 3.2Å; L229-G231 PolarHBondContact O-N 3.26Å; L229-G231 VanDerWaalsContact O-N 3.14Å |
| 232 | G | 53.7 | Low | 61.4 | Low | 82 Ų | 82 | 123 Ų | 123 | 85% | 0.845 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -89.2 | 0.2 | -168.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | N230 | N230-G232 VanDerWaalsContact C-N 3.25Å; N230-G232 PolarHBondContact O-N 3.22Å |
| 233 | S | 51.1 | Low | 59.8 | Low | 92 Ų | 92 | 128.6 Ų | 128.6 | 64% | 0.643 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -134.3 | 144.2 | -176.4 | -160.5 | 0 | 0 | 0 | 0 | 115.6 | ||
| 234 | V | 47.5 | Very low | 58.4 | Low | 113 Ų | 113 | 129 Ų | 129 | 69% | 0.685 | 64% | 0.638 | S | S | * | * | trans | 64.7 | 113.7 | 174.6 | -160.8 | 0 | 0 | 0 | 0 | 118.8 | T236 | V234-T236 PolarHBondContact O-N 3.06Š| ||
| 235 | T | 48.6 | Very low | 57 | Low | 135 Ų | 135 | 126.9 Ų | 126.9 | 83% | 0.828 | 64% | 0.638 | S | S | * | * | trans | -60.3 | 93 | 174.1 | 38.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 236 | T | 47.4 | Very low | 55.6 | Low | 80 Ų | 80 | 120.4 Ų | 120.4 | 49% | 0.491 | 62% | 0.619 | S | S | . | * | trans | -140.9 | 53.7 | 158.8 | 51.1 | 0 | 0 | 0 | 0 | 113.3 | V234 S238 K239 K240 | V234-T236 PolarHBondContact O-N 3.06Å; T236-S238 PolarHBondContact O-N 3.27Å; T236-S238 VanDerWaalsContact O-N 3.16Å; T236-K239 PolarHBondContact O-N 2.86Å; T236-K239 VanDerWaalsContact O-N 3.17Å; T236-K240 WeakPolarHBondContact O-CB 3.31Å; T236-K240 PolarHBondContact O-N 3.08Å | ||
| 237 | R | 53.1 | Low | 54.2 | Low | 216 Ų | 216 | 115.3 Ų | 115.3 | 82% | 0.815 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -40.2 | -55 | -175.8 | -97.8 | 178.9 | 168 | 157.4 | -3.7 | 114.1 | K239 K240 D241 | R237-K239 PolarHBondContact O-N 3.36Å; R237-K240 CarbonylContact O-C 3.15Å; R237-K240 WeakPolarHBondContact O-CA 3.35Å; R237-K240 WeakPolarHBondContact O-CB 3.35Å; R237-K240 PolarHBondContact O-N 3.13Å; R237-D241 PolarHBondContact O-N 3Å |
| 238 | S | 51.8 | Low | 53.4 | Low | 101 Ų | 101 | 111.4 Ų | 111.4 | 71% | 0.706 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -60.7 | -43.6 | -176.5 | 178.6 | 0 | 0 | 0 | 0 | 114.9 | T236 K240 R242 | T236-S238 PolarHBondContact O-N 3.27Å; T236-S238 VanDerWaalsContact O-N 3.16Å; S238-K240 VanDerWaalsContact C-N 3.31Å; S238-R242 WeakPolarHBondContact O-CB 3.23Å; S238-R242 PolarHBondContact O-N 3.15Å |
| 239 | K | 51.3 | Low | 52.4 | Low | 152 Ų | 152 | 106.5 Ų | 106.5 | 66% | 0.661 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -77.3 | -15.9 | 175.5 | -80.1 | -177.2 | 179.2 | 175.2 | 0 | 113.2 | T236 R237 R243 | T236-K239 PolarHBondContact O-N 2.86Å; T236-K239 VanDerWaalsContact O-N 3.17Å; R237-K239 PolarHBondContact O-N 3.36Å; K239-R243 PolarHBondContact O-NE 3.11Å; K239-R243 VanDerWaalsContact O-NE 3.12Å |
| 240 | K | 49.8 | Very low | 51.6 | Low | 96 Ų | 96 | 101.8 Ų | 101.8 | 42% | 0.417 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -82.4 | -53.2 | 175.2 | -161.8 | 171.6 | -176.4 | 174.6 | 0 | 109.6 | T236 R237 S238 R242 R243 V244 | T236-K240 WeakPolarHBondContact O-CB 3.31Å; T236-K240 PolarHBondContact O-N 3.08Å; R237-K240 CarbonylContact O-C 3.15Å; R237-K240 WeakPolarHBondContact O-CA 3.35Å; R237-K240 WeakPolarHBondContact O-CB 3.35Å; R237-K240 PolarHBondContact O-N 3.13Å; S238-K240 VanDerWaalsContact C-N 3.31Å; K240-R242 PolarHBondContact O-N 3.47Å; K240-R243 CarbonylContact O-C 3.36Å; K240-R243 PolarHBondContact O-N 2.8Å; K240-R243 VanDerWaalsContact O-N 3.09Å; K240-V244 WeakPolarHBondContact O-CG2 3.37Å; K240-V244 PolarHBondContact O-N 3.35Å |
| 241 | D | 46.8 | Very low | 51.3 | Low | 97 Ų | 97 | 97.7 Ų | 97.7 | 52% | 0.519 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.7 | -43.8 | 179.9 | -67.8 | -28.6 | 0 | 0 | 0 | 112.6 | R237 R243 V244 L245 | R237-D241 PolarHBondContact O-N 3Å; D241-R243 PolarHBondContact O-N 2.82Å; D241-V244 PolarHBondContact O-N 2.84Å; D241-V244 VanDerWaalsContact O-N 3.11Å; D241-L245 PolarHBondContact O-N 3.4Å |
| 242 | R | 46.8 | Very low | 51.6 | Low | 213 Ų | 213 | 97.3 Ų | 97.3 | 80% | 0.804 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.7 | -28.2 | 176.2 | -170.3 | 173.2 | 174.8 | -176.9 | -1.2 | 113.1 | S238 K240 S246 | S238-R242 WeakPolarHBondContact O-CB 3.23Å; S238-R242 PolarHBondContact O-N 3.15Å; K240-R242 PolarHBondContact O-N 3.47Å; R242-S246 PolarHBondContact O-N 3.09Å |
| 243 | R | 50 | Low | 52.2 | Low | 163 Ų | 163 | 94.6 Ų | 94.6 | 62% | 0.615 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -81.2 | -35.5 | 171.1 | -89.1 | -174.5 | -78.1 | -170 | -3.8 | 112.3 | K239 K240 D241 L245 S246 M247 | K239-R243 PolarHBondContact O-NE 3.11Å; K239-R243 VanDerWaalsContact O-NE 3.12Å; K240-R243 CarbonylContact O-C 3.36Å; K240-R243 PolarHBondContact O-N 2.8Å; K240-R243 VanDerWaalsContact O-N 3.09Å; D241-R243 PolarHBondContact O-N 2.82Å; R243-L245 VanDerWaalsContact C-N 3.34Å; R243-S246 PolarHBondContact O-N 3.27Å; R243-M247 WeakPolarHBondContact O-CB 3.5Å; R243-M247 WeakPolarHBondContact O-CG 3.29Å; R243-M247 PolarHBondContact O-N 3.08Å |
| 244 | V | 47.6 | Very low | 53.1 | Low | 76 Ų | 76 | 90.7 Ų | 90.7 | 46% | 0.461 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.8 | -42.8 | 173.8 | 168.9 | 0 | 0 | 0 | 0 | 110.6 | K240 D241 M247 A248 | K240-V244 WeakPolarHBondContact O-CG2 3.37Å; K240-V244 PolarHBondContact O-N 3.35Å; D241-V244 PolarHBondContact O-N 2.84Å; D241-V244 VanDerWaalsContact O-N 3.11Å; V244-M247 PolarHBondContact O-N 2.9Å; V244-A248 WeakPolarHBondContact O-CB 3.33Å; V244-A248 PolarHBondContact O-N 3Å |
| 245 | L | 46.7 | Very low | 54.3 | Low | 120 Ų | 120 | 88.7 Ų | 88.7 | 63% | 0.628 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -61.2 | -45.5 | 175.4 | -135.7 | 83.9 | 0 | 0 | 0 | 112.2 | D241 R243 M247 A248 E249 | D241-L245 PolarHBondContact O-N 3.4Å; R243-L245 VanDerWaalsContact C-N 3.34Å; L245-M247 VanDerWaalsContact C-N 3.32Å; L245-M247 PolarHBondContact O-N 2.97Å; L245-A248 PolarHBondContact O-N 3.1Å; L245-E249 PolarHBondContact O-N 2.92Å; L245-E249 VanDerWaalsContact O-N 3.08Å |
| 246 | S | 50.3 | Low | 55.5 | Low | 35 Ų | 35 | 82.5 Ų | 82.5 | 25% | 0.245 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.3 | -39.1 | 175.8 | -169.3 | 0 | 0 | 0 | 0 | 112.3 | R242 R243 E250 | R242-S246 PolarHBondContact O-N 3.09Å; R243-S246 PolarHBondContact O-N 3.27Å; S246-E250 WeakPolarHBondContact O-CG 3.3Å; S246-E250 PolarHBondContact O-N 3.41Å; S246-E250 VanDerWaalsContact O-N 3.14Å; S246-E250 PolarHBondContact OG-OE1 3.44Å |
| 247 | M | 52 | Low | 56.8 | Low | 50 Ų | 50 | 79.2 Ų | 79.2 | 25% | 0.246 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -73.9 | -33.2 | 178.3 | -60.6 | -88.2 | 92.1 | 0 | 0 | 112 | M223 R227 R243 V244 L245 E250 V251 | M223-M247 HydrophobicContact CE-SD 4.49Å; R227-M247 PolarHBondContact NH2-SD 3.19Å; R227-M247 VanDerWaalsContact NH2-SD 3.39Å; R243-M247 WeakPolarHBondContact O-CB 3.5Å; R243-M247 WeakPolarHBondContact O-CG 3.29Å; R243-M247 PolarHBondContact O-N 3.08Å; V244-M247 PolarHBondContact O-N 2.9Å; L245-M247 VanDerWaalsContact C-N 3.32Å; L245-M247 PolarHBondContact O-N 2.97Å; M247-E250 VanDerWaalsContact CE-CD 3.46Å; M247-E250 WeakPolarHBondContact CE-OE1 3.17Å; M247-E250 WeakPolarHBondContact CE-OE2 3.22Å; M247-E250 PolarHBondContact O-N 3.19Å; M247-V251 WeakPolarHBondContact O-CB 3.41Å; M247-V251 WeakPolarHBondContact O-CG2 3.22Å; M247-V251 PolarHBondContact O-N 2.86Å |
| 248 | A | 51.6 | Low | 58 | Low | 45 Ų | 45 | 71.2 Ų | 71.2 | 37% | 0.372 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.6 | -44.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | V244 L245 E250 V251 E252 | V244-A248 WeakPolarHBondContact O-CB 3.33Å; V244-A248 PolarHBondContact O-N 3Å; L245-A248 PolarHBondContact O-N 3.1Å; A248-E250 VanDerWaalsContact C-N 3.3Å; A248-E250 PolarHBondContact O-N 2.87Å; A248-V251 PolarHBondContact O-N 3.46Å; A248-V251 VanDerWaalsContact O-N 3.12Å; A248-E252 WeakPolarHBondContact O-CG 3.41Å; A248-E252 PolarHBondContact O-N 3.05Å |
| 249 | E | 55.6 | Low | 59.4 | Low | 62 Ų | 62 | 71.2 Ų | 71.2 | 29% | 0.29 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.6 | -36.7 | 175.9 | -160.4 | 161.6 | -136.1 | 0 | 0 | 111.5 | R52 L245 H253 | R52-E249 IonicContact NH1-OE1 2.86Å; R52-E249 PolarHBondContact NH1-OE1 3.23Å; R52-E249 IonicContact NH1-OE2 3.25Å; R52-E249 PolarHBondContact NH1-OE2 2.92Å; L245-E249 PolarHBondContact O-N 2.92Å; L245-E249 VanDerWaalsContact O-N 3.08Å; E249-H253 PolarHBondContact O-CD2 3.07Å; E249-H253 VanDerWaalsContact O-CD2 3.22Å |
| 250 | E | 58 | Low | 60.8 | Low | 42 Ų | 42 | 64.5 Ų | 64.5 | 20% | 0.196 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.7 | -37.1 | 172.1 | -72.9 | 167.7 | -140.6 | 0 | 0 | 113.2 | S246 M247 A248 | S246-E250 WeakPolarHBondContact O-CG 3.3Å; S246-E250 PolarHBondContact O-N 3.41Å; S246-E250 VanDerWaalsContact O-N 3.14Å; S246-E250 PolarHBondContact OG-OE1 3.44Å; M247-E250 VanDerWaalsContact CE-CD 3.46Å; M247-E250 WeakPolarHBondContact CE-OE1 3.17Å; M247-E250 WeakPolarHBondContact CE-OE2 3.22Å; M247-E250 PolarHBondContact O-N 3.19Å; A248-E250 VanDerWaalsContact C-N 3.3Å; A248-E250 PolarHBondContact O-N 2.87Å |
| 251 | V | 60.1 | Low | 62.4 | Low | 41 Ų | 41 | 60.6 Ų | 60.6 | 25% | 0.248 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -72.5 | -35.4 | 179.7 | 168 | 0 | 0 | 0 | 0 | 113.1 | L220 M247 A248 H253 L254 I255 | L220-V251 HydrophobicContact CD1-CG2 3.49Å; L220-V251 VanDerWaalsContact CD1-CG2 3.49Å; L220-V251 HydrophobicContact CD2-CG1 4.1Å; L220-V251 HydrophobicContact CD2-CG2 3.78Å; L220-V251 HydrophobicContact CG-CG2 4.23Å; M247-V251 WeakPolarHBondContact O-CB 3.41Å; M247-V251 WeakPolarHBondContact O-CG2 3.22Å; M247-V251 PolarHBondContact O-N 2.86Å; A248-V251 PolarHBondContact O-N 3.46Å; A248-V251 VanDerWaalsContact O-N 3.12Å; V251-H253 VanDerWaalsContact C-N 3.26Å; V251-H253 PolarHBondContact O-N 2.88Å; V251-L254 HydrophobicContact CG2-CD1 4.46Å; V251-L254 WeakPolarHBondContact O-CB 3.49Å; V251-L254 PolarHBondContact O-N 2.92Å; V251-I255 HydrophobicContact CG1-CD1 4.37Å; V251-I255 PolarHBondContact O-N 2.97Å; V251-I255 VanDerWaalsContact O-N 3.14Å |
| 252 | E | 64.2 | Low | 64.1 | Low | 32 Ų | 32 | 59.7 Ų | 59.7 | 15% | 0.15 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.6 | -37.8 | 177 | -69.9 | 165.9 | 153.3 | 0 | 0 | 111.7 | A248 L254 I255 V256 P313 R317 | A248-E252 WeakPolarHBondContact O-CG 3.41Å; A248-E252 PolarHBondContact O-N 3.05Å; E252-L254 VanDerWaalsContact C-N 3.32Å; E252-L254 PolarHBondContact O-N 3.37Å; E252-I255 PolarHBondContact O-N 2.96Å; E252-V256 PolarHBondContact O-N 3.29Å; E252-P313 HydrophobicContact CB-CB 4.37Å; E252-P313 HydrophobicContact CB-CG 3.91Å; E252-P313 WeakPolarHBondContact OE2-CB 3.44Å; E252-R317 IonicContact OE1-CZ 3.12Å; E252-R317 IonicContact OE1-NH1 2.69Å; E252-R317 PolarHBondContact OE1-NH1 3.36Å; E252-R317 IonicContact OE2-CZ 2.75Å; E252-R317 IonicContact OE2-NH1 3.91Å; E252-R317 PolarHBondContact OE2-NH1 3.39Å |
| 253 | H | 65.8 | Low | 65.9 | Low | 25 Ų | 25 | 51.4 Ų | 51.4 | 12% | 0.116 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.6 | -27.2 | 174.5 | -73.1 | -63.7 | 0 | 0 | 0 | 113.7 | F58 E249 V251 L257 | F58-H253 HydrophobicContact CE1-CB 4.3Å; F58-H253 AromaticContact CE1-CE1 3.78Å; F58-H253 AromaticContact CE1-CG 3.87Å; F58-H253 AromaticContact CE1-ND1 3.26Å; F58-H253 VanDerWaalsContact CE1-ND1 3.26Å; F58-H253 WeakPolarHBondContact CE1-ND1 3.44Å; F58-H253 HydrophobicContact CZ-CB 4.15Å; F58-H253 AromaticContact CZ-ND1 3.74Å; E249-H253 PolarHBondContact O-CD2 3.07Å; E249-H253 VanDerWaalsContact O-CD2 3.22Å; V251-H253 VanDerWaalsContact C-N 3.26Å; V251-H253 PolarHBondContact O-N 2.88Å; H253-L257 WeakPolarHBondContact O-CB 3.21Å; H253-L257 PolarHBondContact O-N 3.04Å |
| 254 | L | 69.3 | Low | 67.4 | Low | 11 Ų | 11 | 43.9 Ų | 43.9 | 6% | 0.058 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -72 | -36.9 | 174.5 | -60.8 | 175.1 | 0 | 0 | 0 | 112.1 | R127 I131 V216 L220 V251 E252 L257 V258 | R127-L254 HydrophobicContact CB-CD2 3.99Å; R127-L254 HydrophobicContact CG-CD2 3.88Å; I131-L254 HydrophobicContact CD1-CD1 3.47Å; I131-L254 VanDerWaalsContact CD1-CD1 3.47Å; I131-L254 HydrophobicContact CD1-CD2 3.71Å; I131-L254 HydrophobicContact CD1-CG 4.09Å; V216-L254 HydrophobicContact CG1-CD1 3.77Å; V216-L254 HydrophobicContact CG1-CD2 3.62Å; V216-L254 HydrophobicContact CG1-CG 4.24Å; L220-L254 HydrophobicContact CD2-CD1 4.07Å; V251-L254 HydrophobicContact CG2-CD1 4.46Å; V251-L254 WeakPolarHBondContact O-CB 3.49Å; V251-L254 PolarHBondContact O-N 2.92Å; E252-L254 VanDerWaalsContact C-N 3.32Å; E252-L254 PolarHBondContact O-N 3.37Å; L254-L257 PolarHBondContact O-N 3.34Å; L254-V258 WeakPolarHBondContact O-CG2 3.5Å; L254-V258 PolarHBondContact O-N 3.37Å |
| 255 | I | 72.8 | Confident | 69.2 | Low | 71 Ų | 71 | 42.4 Ų | 42.4 | 36% | 0.364 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.2 | -48.3 | 177 | -66.7 | 170.4 | 0 | 0 | 0 | 109.6 | V251 E252 L257 V258 F259 L311 | V251-I255 HydrophobicContact CG1-CD1 4.37Å; V251-I255 PolarHBondContact O-N 2.97Å; V251-I255 VanDerWaalsContact O-N 3.14Å; E252-I255 PolarHBondContact O-N 2.96Å; I255-L257 VanDerWaalsContact C-N 3.32Å; I255-L257 PolarHBondContact O-N 2.83Å; I255-V258 PolarHBondContact O-N 2.96Å; I255-F259 HydrophobicContact CG2-CD2 3.77Å; I255-F259 HydrophobicContact CG2-CE2 3.7Å; I255-F259 VanDerWaalsContact O-CD2 3.27Å; I255-F259 WeakPolarHBondContact O-CD2 3.33Å; I255-F259 PolarHBondContact O-N 3.44Å; I255-L311 HydrophobicContact CG2-CD2 4.24Å |
| 256 | V | 74.5 | Confident | 71.1 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.024 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -52.4 | -52.7 | 172.9 | 178.8 | 0 | 0 | 0 | 0 | 110.3 | E252 V258 F259 M260 F308 L311 | E252-V256 PolarHBondContact O-N 3.29Å; V256-V258 PolarHBondContact O-N 3.49Å; V256-F259 PolarHBondContact O-N 2.95Å; V256-F259 VanDerWaalsContact O-N 3.16Å; V256-M260 HydrophobicContact CG1-CE 3.76Å; V256-M260 HydrophobicContact CG1-CG 4.3Å; V256-M260 VanDerWaalsContact O-CG 3.31Å; V256-M260 WeakPolarHBondContact O-CG 3.39Å; V256-M260 PolarHBondContact O-N 3.02Å; V256-F308 HydrophobicContact CG1-CD2 4.36Å; V256-L311 HydrophobicContact CG2-CB 3.88Å; V256-L311 WeakPolarHBondContact CG2-O 3.38Å |
| 257 | L | 74.3 | Confident | 72.9 | Confident | 11 Ų | 11 | 40 Ų | 40 | 6% | 0.058 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.9 | -35.7 | -175.7 | -168.4 | 121.5 | 0 | 0 | 0 | 113 | F58 M123 A124 R127 N213 H253 L254 I255 T261 | F58-L257 HydrophobicContact CE2-CD1 4.35Å; M123-L257 HydrophobicContact CB-CD1 3.8Å; A124-L257 HydrophobicContact CB-CD2 4.45Å; R127-L257 HydrophobicContact CG-CD1 4.13Å; R127-L257 HydrophobicContact CG-CD2 4.25Å; N213-L257 WeakPolarHBondContact ND2-CD2 3.4Å; N213-L257 PolarHBondContact ND2-O 3.35Å; N213-L257 WeakPolarHBondContact OD1-CD2 3.2Å; H253-L257 WeakPolarHBondContact O-CB 3.21Å; H253-L257 PolarHBondContact O-N 3.04Å; L254-L257 PolarHBondContact O-N 3.34Å; I255-L257 VanDerWaalsContact C-N 3.32Å; I255-L257 PolarHBondContact O-N 2.83Å; L257-T261 WeakPolarHBondContact O-CG2 3.4Å; L257-T261 PolarHBondContact O-N 2.95Å; L257-T261 VanDerWaalsContact O-N 3.13Å; L257-T261 PolarHBondContact O-OG1 3.05Å |
| 258 | V | 78.9 | Confident | 74.5 | Confident | 49 Ų | 49 | 37.6 Ų | 37.6 | 30% | 0.297 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.2 | -47.3 | 172.2 | 170.4 | 0 | 0 | 0 | 0 | 111 | V217 L254 I255 V256 M260 T261 V262 | V217-V258 HydrophobicContact CG2-CG2 3.94Å; L254-V258 WeakPolarHBondContact O-CG2 3.5Å; L254-V258 PolarHBondContact O-N 3.37Å; I255-V258 PolarHBondContact O-N 2.96Å; V256-V258 PolarHBondContact O-N 3.49Å; V258-M260 PolarHBondContact O-N 3.13Å; V258-T261 PolarHBondContact O-N 2.81Å; V258-T261 VanDerWaalsContact O-N 3.13Å; V258-T261 PolarHBondContact O-OG1 2.95Å; V258-V262 PolarHBondContact O-N 2.75Å |
| 259 | F | 81.1 | Confident | 76.2 | Confident | 100 Ų | 100 | 38.3 Ų | 38.3 | 44% | 0.439 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.2 | -42.3 | 178 | -82.9 | -70.2 | 0 | 0 | 0 | 112.7 | I255 V256 T261 V262 I263 V307 L311 | I255-F259 HydrophobicContact CG2-CD2 3.77Å; I255-F259 HydrophobicContact CG2-CE2 3.7Å; I255-F259 VanDerWaalsContact O-CD2 3.27Å; I255-F259 WeakPolarHBondContact O-CD2 3.33Å; I255-F259 PolarHBondContact O-N 3.44Å; V256-F259 PolarHBondContact O-N 2.95Å; V256-F259 VanDerWaalsContact O-N 3.16Å; F259-T261 VanDerWaalsContact C-N 3.28Å; F259-T261 PolarHBondContact O-N 3.33Å; F259-V262 PolarHBondContact O-N 3.46Å; F259-I263 WeakPolarHBondContact O-CG1 3.42Å; F259-I263 PolarHBondContact O-N 3.35Å; F259-I263 VanDerWaalsContact O-N 3.09Å; F259-V307 HydrophobicContact CB-CG1 4.12Å; F259-L311 HydrophobicContact CB-CD1 3.82Å; F259-L311 HydrophobicContact CD2-CD1 3.88Å; F259-L311 HydrophobicContact CD2-CD2 3.56Å; F259-L311 HydrophobicContact CD2-CG 4.35Å; F259-L311 HydrophobicContact CE2-CD2 3.67Å; F259-L311 HydrophobicContact CG-CD1 3.86Å; F259-L311 HydrophobicContact CG-CD2 4.34Å |
| 260 | M | 80.6 | Confident | 77.9 | Confident | 12 Ų | 12 | 37.1 Ų | 37.1 | 6% | 0.059 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -52.2 | -49.1 | 171 | -65.4 | -62.4 | -174.1 | 0 | 0 | 110.6 | L120 V256 V258 V262 I263 F264 D304 V307 F308 | L120-M260 HydrophobicContact CD2-CB 4.43Å; V256-M260 HydrophobicContact CG1-CE 3.76Å; V256-M260 HydrophobicContact CG1-CG 4.3Å; V256-M260 VanDerWaalsContact O-CG 3.31Å; V256-M260 WeakPolarHBondContact O-CG 3.39Å; V256-M260 PolarHBondContact O-N 3.02Å; V258-M260 PolarHBondContact O-N 3.13Å; M260-V262 PolarHBondContact O-N 2.91Å; M260-I263 PolarHBondContact O-N 2.92Å; M260-F264 VanDerWaalsContact O-CB 3.29Å; M260-F264 WeakPolarHBondContact O-CB 3.42Å; M260-F264 PolarHBondContact O-N 2.98Å; M260-D304 WeakPolarHBondContact CE-O 3.35Å; M260-D304 HydrophobicContact SD-CB 4.12Å; M260-V307 HydrophobicContact CE-CB 3.88Å; M260-V307 HydrophobicContact CE-CG1 3.77Å; M260-V307 HydrophobicContact CG-CG1 4.23Å; M260-V307 HydrophobicContact SD-CB 3.76Å; M260-V307 HydrophobicContact SD-CG1 3.54Å; M260-V307 VanDerWaalsContact SD-CG1 3.54Å; M260-F308 HydrophobicContact CE-CB 3.67Å |
| 261 | T | 82.6 | Confident | 79.3 | Confident | 14 Ų | 14 | 35.2 Ų | 35.2 | 9% | 0.086 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.9 | -29.9 | -175.4 | 56.6 | 0 | 0 | 0 | 0 | 114.5 | I209 N213 L257 V258 F259 V265 | I209-T261 HydrophobicContact CG2-CG2 3.15Å; N213-T261 WeakPolarHBondContact ND2-CG2 3.26Å; N213-T261 PolarHBondContact ND2-OG1 3.32Å; L257-T261 WeakPolarHBondContact O-CG2 3.4Å; L257-T261 PolarHBondContact O-N 2.95Å; L257-T261 VanDerWaalsContact O-N 3.13Å; L257-T261 PolarHBondContact O-OG1 3.05Å; V258-T261 PolarHBondContact O-N 2.81Å; V258-T261 VanDerWaalsContact O-N 3.13Å; V258-T261 PolarHBondContact O-OG1 2.95Å; F259-T261 VanDerWaalsContact C-N 3.28Å; F259-T261 PolarHBondContact O-N 3.33Å; T261-V265 WeakPolarHBondContact O-CB 3.47Å; T261-V265 WeakPolarHBondContact O-CG2 3.44Å; T261-V265 PolarHBondContact O-N 3.04Å |
| 262 | V | 83.9 | Confident | 80.7 | Confident | 78 Ų | 78 | 33.5 Ų | 33.5 | 47% | 0.473 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -66.3 | -45 | 172.1 | 172.3 | 0 | 0 | 0 | 0 | 110.3 | V258 F259 M260 V265 I266 | V258-V262 PolarHBondContact O-N 2.75Å; F259-V262 PolarHBondContact O-N 3.46Å; M260-V262 PolarHBondContact O-N 2.91Å; V262-V265 PolarHBondContact O-N 3.19Å; V262-I266 HydrophobicContact CG1-CD1 3.97Å; V262-I266 WeakPolarHBondContact O-CD1 3.41Å; V262-I266 VanDerWaalsContact O-CG1 3.29Å; V262-I266 WeakPolarHBondContact O-CG1 3.28Å; V262-I266 PolarHBondContact O-N 2.96Å; V262-I266 VanDerWaalsContact O-N 3.13Å |
| 263 | I | 84.1 | Confident | 81.8 | Confident | 39 Ų | 39 | 36.3 Ų | 36.3 | 20% | 0.2 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.2 | -45.6 | 178.1 | -70.8 | 166.1 | 0 | 0 | 0 | 110.3 | F259 M260 V265 I266 C267 V303 V307 | F259-I263 WeakPolarHBondContact O-CG1 3.42Å; F259-I263 PolarHBondContact O-N 3.35Å; F259-I263 VanDerWaalsContact O-N 3.09Å; M260-I263 PolarHBondContact O-N 2.92Å; I263-V265 PolarHBondContact O-N 3.41Å; I263-I266 WeakPolarHBondContact O-CB 3.5Å; I263-I266 PolarHBondContact O-N 3.36Å; I263-I266 VanDerWaalsContact O-N 3.08Å; I263-C267 WeakPolarHBondContact O-CB 3.23Å; I263-C267 PolarHBondContact O-N 3.12Å; I263-V303 HydrophobicContact CD1-CG1 3.97Å; I263-V303 HydrophobicContact CG2-CB 4.16Å; I263-V303 HydrophobicContact CG2-CG1 3.69Å; I263-V307 HydrophobicContact CD1-CG1 4.42Å; I263-V307 HydrophobicContact CD1-CG2 3.35Å |
| 264 | F | 80.9 | Confident | 82.8 | Confident | 5 Ų | 5 | 37.3 Ų | 37.3 | 2% | 0.022 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55.9 | -49.1 | 176.8 | -167.3 | -79 | 0 | 0 | 0 | 111.6 | L117 L120 V206 M260 I266 C267 S268 N300 | L117-F264 HydrophobicContact CD1-CE1 3.96Å; L117-F264 HydrophobicContact CD1-CZ 3.69Å; L117-F264 HydrophobicContact CD2-CD1 3.92Å; L117-F264 HydrophobicContact CD2-CE1 3.27Å; L117-F264 HydrophobicContact CD2-CE2 4.08Å; L117-F264 HydrophobicContact CD2-CZ 3.43Å; L117-F264 VanDerWaalsContact CD2-CZ 3.43Å; L117-F264 HydrophobicContact CG-CE1 3.63Å; L117-F264 HydrophobicContact CG-CE2 3.88Å; L117-F264 HydrophobicContact CG-CZ 3.22Å; L120-F264 HydrophobicContact CD1-CD2 3.35Å; L120-F264 HydrophobicContact CD1-CE2 3.86Å; L120-F264 HydrophobicContact CD1-CG 4.07Å; V206-F264 HydrophobicContact CG2-CD1 3.87Å; V206-F264 HydrophobicContact CG2-CE1 3.59Å; M260-F264 VanDerWaalsContact O-CB 3.29Å; M260-F264 WeakPolarHBondContact O-CB 3.42Å; M260-F264 PolarHBondContact O-N 2.98Å; F264-I266 VanDerWaalsContact C-N 3.31Å; F264-I266 PolarHBondContact O-N 3.04Å; F264-C267 PolarHBondContact O-N 3.22Å; F264-C267 VanDerWaalsContact O-N 3.15Å; F264-S268 VanDerWaalsContact CE1-OG 3.23Å; F264-S268 WeakPolarHBondContact CE1-OG 3.02Å; F264-S268 WeakPolarHBondContact O-CB 3.44Å; F264-S268 PolarHBondContact O-N 2.86Å; F264-S268 PolarHBondContact O-OG 2.97Å; F264-N300 WeakPolarHBondContact CA-OD1 3.34Å; F264-N300 VanDerWaalsContact CD2-CG 3.47Å; F264-N300 WeakPolarHBondContact CD2-ND2 3.44Å; F264-N300 WeakPolarHBondContact CD2-OD1 3.46Å; F264-N300 WeakPolarHBondContact CE2-ND2 3.29Å |
| 265 | V | 85.7 | Confident | 83.7 | Confident | 44 Ų | 44 | 37 Ų | 37 | 27% | 0.267 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -55.5 | -45.3 | 175.5 | 166.5 | 0 | 0 | 0 | 0 | 111.3 | V206 T261 V262 I263 L269 | V206-V265 HydrophobicContact CG1-CG2 3.73Å; T261-V265 WeakPolarHBondContact O-CB 3.47Å; T261-V265 WeakPolarHBondContact O-CG2 3.44Å; T261-V265 PolarHBondContact O-N 3.04Å; V262-V265 PolarHBondContact O-N 3.19Å; I263-V265 PolarHBondContact O-N 3.41Å; V265-L269 HydrophobicContact CG1-CD1 3.51Å; V265-L269 HydrophobicContact CG1-CG 4.05Å; V265-L269 VanDerWaalsContact O-CB 3.24Å; V265-L269 WeakPolarHBondContact O-CB 3.16Å; V265-L269 WeakPolarHBondContact O-CG 3.22Å; V265-L269 PolarHBondContact O-N 2.94Å |
| 266 | I | 87.8 | Confident | 84.4 | Confident | 97 Ų | 97 | 37.3 Ų | 37.3 | 50% | 0.497 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65.8 | -38.5 | 178.9 | -67 | 163.9 | 0 | 0 | 0 | 111.5 | V262 I263 F264 P270 F296 | V262-I266 HydrophobicContact CG1-CD1 3.97Å; V262-I266 WeakPolarHBondContact O-CD1 3.41Å; V262-I266 VanDerWaalsContact O-CG1 3.29Å; V262-I266 WeakPolarHBondContact O-CG1 3.28Å; V262-I266 PolarHBondContact O-N 2.96Å; V262-I266 VanDerWaalsContact O-N 3.13Å; I263-I266 WeakPolarHBondContact O-CB 3.5Å; I263-I266 PolarHBondContact O-N 3.36Å; I263-I266 VanDerWaalsContact O-N 3.08Å; F264-I266 VanDerWaalsContact C-N 3.31Å; F264-I266 PolarHBondContact O-N 3.04Å; I266-P270 WeakPolarHBondContact O-CD 3.06Å; I266-P270 WeakPolarHBondContact O-CG 3.19Å; I266-F296 HydrophobicContact CG2-CE1 4.35Å |
| 267 | C | 87.3 | Confident | 84.9 | Confident | 7 Ų | 7 | 39.8 Ų | 39.8 | 5% | 0.047 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -76.3 | -33.4 | -179.9 | -79.9 | 0 | 0 | 0 | 0 | 113.9 | I263 F264 F296 L297 N300 | I263-C267 WeakPolarHBondContact O-CB 3.23Å; I263-C267 PolarHBondContact O-N 3.12Å; F264-C267 PolarHBondContact O-N 3.22Å; F264-C267 VanDerWaalsContact O-N 3.15Å; C267-F296 VanDerWaalsContact CB-O 3.29Å; C267-F296 WeakPolarHBondContact CB-O 3.17Å; C267-F296 CarbonylContact O-C 3.48Å; C267-F296 PolarHBondContact SG-O 3.32Å; C267-F296 VanDerWaalsContact SG-O 3.36Å; C267-L297 PolarHBondContact O-N 2.73Å; C267-N300 HydrophobicContact CB-CB 3.99Å |
| 268 | S | 86.1 | Confident | 85.3 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -94.7 | -33.5 | -174.8 | 68.1 | 0 | 0 | 0 | 0 | 114.6 | F264 P270 L271 V272 | F264-S268 VanDerWaalsContact CE1-OG 3.23Å; F264-S268 WeakPolarHBondContact CE1-OG 3.02Å; F264-S268 WeakPolarHBondContact O-CB 3.44Å; F264-S268 PolarHBondContact O-N 2.86Å; F264-S268 PolarHBondContact O-OG 2.97Å; S268-P270 VanDerWaalsContact C-CD 3.45Å; S268-L271 PolarHBondContact O-N 3.39Å; S268-V272 PolarHBondContact O-N 3.39Å |
| 269 | L | 87.3 | Confident | 85.3 | Confident | 60 Ų | 60 | 39.8 Ų | 39.8 | 31% | 0.314 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.6 | -38.4 | -177.1 | -78.7 | -178.2 | 0 | 0 | 0 | 114.6 | V265 L271 V272 I273 | V265-L269 HydrophobicContact CG1-CD1 3.51Å; V265-L269 HydrophobicContact CG1-CG 4.05Å; V265-L269 VanDerWaalsContact O-CB 3.24Å; V265-L269 WeakPolarHBondContact O-CB 3.16Å; V265-L269 WeakPolarHBondContact O-CG 3.22Å; V265-L269 PolarHBondContact O-N 2.94Å; L269-L271 PolarHBondContact O-N 3.27Å; L269-V272 PolarHBondContact O-N 3.38Å; L269-I273 HydrophobicContact CB-CD1 4.3Å; L269-I273 WeakPolarHBondContact O-CB 3.45Å; L269-I273 WeakPolarHBondContact O-CD1 3.43Å; L269-I273 VanDerWaalsContact O-CG1 3.25Å; L269-I273 WeakPolarHBondContact O-CG1 3.4Å; L269-I273 PolarHBondContact O-N 3.29Å |
| 270 | P | 89.9 | Confident | 85.1 | Confident | 38 Ų | 38 | 40.2 Ų | 40.2 | 25% | 0.247 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -55.8 | -39.3 | 178.2 | -27.8 | 36.4 | 0 | 0 | 0 | 113.1 | I266 S268 R274 A293 F296 | I266-P270 WeakPolarHBondContact O-CD 3.06Å; I266-P270 WeakPolarHBondContact O-CG 3.19Å; S268-P270 VanDerWaalsContact C-CD 3.45Å; P270-R274 WeakPolarHBondContact O-CB 3.49Å; P270-R274 WeakPolarHBondContact O-CG 3.49Å; P270-R274 PolarHBondContact O-N 3.31Å; P270-R274 VanDerWaalsContact O-N 3.08Å; P270-A293 HydrophobicContact CB-CB 4.22Å; P270-F296 HydrophobicContact CG-CB 4.26Å; P270-F296 HydrophobicContact CG-CD2 4.39Å; P270-F296 HydrophobicContact CG-CG 4.19Å |
| 271 | L | 87.8 | Confident | 84.3 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.8 | -48.8 | 177.3 | -167.2 | 90.9 | 0 | 0 | 0 | 111.8 | F181 M184 Y198 M202 S268 L269 I273 R274 V275 A293 L294 L297 | F181-L271 HydrophobicContact CE1-CD1 4.27Å; F181-L271 HydrophobicContact CE1-CD2 4.32Å; F181-L271 HydrophobicContact CZ-CD2 4.16Å; M184-L271 HydrophobicContact CE-CD1 3.53Å; M184-L271 HydrophobicContact SD-CD1 4.38Å; Y198-L271 HydrophobicContact CE1-CD2 3.84Å; M202-L271 HydrophobicContact CE-CD2 4.47Å; S268-L271 PolarHBondContact O-N 3.39Å; L269-L271 PolarHBondContact O-N 3.27Å; L271-I273 VanDerWaalsContact C-N 3.32Å; L271-I273 PolarHBondContact O-N 3.16Å; L271-R274 WeakPolarHBondContact O-CB 3.42Å; L271-R274 PolarHBondContact O-N 2.96Å; L271-V275 PolarHBondContact O-N 3.08Å; L271-V275 VanDerWaalsContact O-N 3.08Å; L271-A293 HydrophobicContact CB-CB 4.42Å; L271-A293 HydrophobicContact CD1-CB 4.22Å; L271-L294 HydrophobicContact CD1-CD2 3.92Å; L271-L297 HydrophobicContact CD1-CD2 4.24Å; L271-L297 HydrophobicContact CD2-CD1 4.08Å; L271-L297 HydrophobicContact CD2-CD2 3.81Å; L271-L297 HydrophobicContact CD2-CG 4.48Å |
| 272 | V | 88.9 | Confident | 83.3 | Confident | 5 Ų | 5 | 47.8 Ų | 47.8 | 3% | 0.03 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60 | -44.7 | 179.8 | 174.2 | 0 | 0 | 0 | 0 | 110.6 | M202 L203 S268 L269 R274 V275 Y276 | M202-V272 HydrophobicContact CB-CG2 3.89Å; L203-V272 HydrophobicContact CB-CG1 4.09Å; L203-V272 HydrophobicContact CD1-CG1 4.43Å; L203-V272 HydrophobicContact CD2-CG1 4.49Å; S268-V272 PolarHBondContact O-N 3.39Å; L269-V272 PolarHBondContact O-N 3.38Å; V272-R274 PolarHBondContact O-N 3.36Å; V272-V275 PolarHBondContact O-N 2.9Å; V272-Y276 HydrophobicContact CG1-CD2 3.8Å; V272-Y276 HydrophobicContact CG1-CE2 3.51Å; V272-Y276 WeakPolarHBondContact O-CD2 3.17Å; V272-Y276 PolarHBondContact O-N 3.3Å |
| 273 | I | 88.9 | Confident | 82.2 | Confident | 91 Ų | 91 | 51.9 Ų | 51.9 | 47% | 0.467 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 177.2 | -68.2 | 165.4 | 0 | 0 | 0 | 111.1 | L269 L271 Y276 I277 | L269-I273 HydrophobicContact CB-CD1 4.3Å; L269-I273 WeakPolarHBondContact O-CB 3.45Å; L269-I273 WeakPolarHBondContact O-CD1 3.43Å; L269-I273 VanDerWaalsContact O-CG1 3.25Å; L269-I273 WeakPolarHBondContact O-CG1 3.4Å; L269-I273 PolarHBondContact O-N 3.29Å; L271-I273 VanDerWaalsContact C-N 3.32Å; L271-I273 PolarHBondContact O-N 3.16Å; I273-Y276 PolarHBondContact O-N 3.41Å; I273-I277 HydrophobicContact CG2-CD1 3.64Å; I273-I277 HydrophobicContact CG2-CG1 4.31Å; I273-I277 VanDerWaalsContact O-CG1 3.31Å; I273-I277 WeakPolarHBondContact O-CG1 3.28Å; I273-I277 PolarHBondContact O-N 2.97Å |
| 274 | R | 87.1 | Confident | 81.1 | Confident | 45 Ų | 45 | 58.8 Ų | 58.8 | 17% | 0.17 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.6 | -50.8 | 177.6 | -79.4 | -81.8 | 145.9 | -162.4 | -3 | 112.1 | M184 P270 L271 V272 Y276 I277 N278 D290 A293 | M184-R274 HydrophobicContact SD-CB 4.44Å; P270-R274 WeakPolarHBondContact O-CB 3.49Å; P270-R274 WeakPolarHBondContact O-CG 3.49Å; P270-R274 PolarHBondContact O-N 3.31Å; P270-R274 VanDerWaalsContact O-N 3.08Å; L271-R274 WeakPolarHBondContact O-CB 3.42Å; L271-R274 PolarHBondContact O-N 2.96Å; V272-R274 PolarHBondContact O-N 3.36Å; R274-Y276 VanDerWaalsContact C-N 3.34Å; R274-Y276 PolarHBondContact O-N 2.88Å; R274-I277 PolarHBondContact O-N 3.23Å; R274-N278 VanDerWaalsContact O-CG 3.26Å; R274-N278 PolarHBondContact O-N 2.93Å; R274-N278 PolarHBondContact O-OD1 3.32Å; R274-D290 VanDerWaalsContact CD-OD1 3.23Å; R274-D290 WeakPolarHBondContact CD-OD1 3.43Å; R274-A293 HydrophobicContact CG-CB 4.06Å |
| 275 | V | 86.9 | Confident | 80.2 | Confident | 5 Ų | 5 | 62.9 Ų | 62.9 | 3% | 0.03 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.2 | -43.6 | 178.9 | 173.9 | 0 | 0 | 0 | 0 | 111.7 | M184 P195 V196 A199 L271 V272 S279 | M184-V275 HydrophobicContact CB-CG2 4.46Å; M184-V275 HydrophobicContact CG-CG2 4.03Å; M184-V275 HydrophobicContact SD-CG2 4.19Å; P195-V275 HydrophobicContact CB-CG1 4.15Å; P195-V275 WeakPolarHBondContact O-CG1 3.44Å; V196-V275 HydrophobicContact CG2-CG1 4.28Å; A199-V275 HydrophobicContact CB-CB 3.83Å; A199-V275 HydrophobicContact CB-CG1 3.66Å; A199-V275 HydrophobicContact CB-CG2 4.3Å; L271-V275 PolarHBondContact O-N 3.08Å; L271-V275 VanDerWaalsContact O-N 3.08Å; V272-V275 PolarHBondContact O-N 2.9Å; V275-S279 VanDerWaalsContact O-CB 3.26Å; V275-S279 WeakPolarHBondContact O-CB 3Å; V275-S279 PolarHBondContact O-N 3.03Å |
| 276 | Y | 87.5 | Confident | 79.5 | Confident | 78 Ų | 78 | 62.8 Ų | 62.8 | 31% | 0.306 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.8 | -40.3 | 177 | -75.1 | -59.3 | 0 | 0 | 0 | 113.2 | A199 T200 L203 V272 I273 R274 S279 T280 | A199-Y276 HydrophobicContact CB-CE2 4.5Å; T200-Y276 HydrophobicContact CG2-CE1 4.38Å; T200-Y276 WeakPolarHBondContact CG2-OH 3.35Å; L203-Y276 HydrophobicContact CD2-CE2 4.01Å; V272-Y276 HydrophobicContact CG1-CD2 3.8Å; V272-Y276 HydrophobicContact CG1-CE2 3.51Å; V272-Y276 WeakPolarHBondContact O-CD2 3.17Å; V272-Y276 PolarHBondContact O-N 3.3Å; I273-Y276 PolarHBondContact O-N 3.41Å; R274-Y276 VanDerWaalsContact C-N 3.34Å; R274-Y276 PolarHBondContact O-N 2.88Å; Y276-S279 PolarHBondContact O-N 3.18Å; Y276-T280 WeakPolarHBondContact O-CG2 3.34Å; Y276-T280 PolarHBondContact O-N 3.27Å; Y276-T280 PolarHBondContact O-OG1 3.36Å; Y276-T280 VanDerWaalsContact O-OG1 3.08Å |
| 277 | I | 85.4 | Confident | 78.7 | Confident | 55 Ų | 55 | 60.1 Ų | 60.1 | 28% | 0.282 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.5 | -48.3 | 175.5 | -71 | 170.4 | 0 | 0 | 0 | 110.7 | I273 R274 S279 T280 Q282 | I273-I277 HydrophobicContact CG2-CD1 3.64Å; I273-I277 HydrophobicContact CG2-CG1 4.31Å; I273-I277 VanDerWaalsContact O-CG1 3.31Å; I273-I277 WeakPolarHBondContact O-CG1 3.28Å; I273-I277 PolarHBondContact O-N 2.97Å; R274-I277 PolarHBondContact O-N 3.23Å; I277-S279 PolarHBondContact O-N 2.04Å; I277-T280 PolarHBondContact O-N 2.9Å; I277-T280 PolarHBondContact O-OG1 3.01Å; I277-Q282 HydrophobicContact CG2-CB 4.43Å |
| 278 | N | 81.6 | Confident | 78.2 | Confident | 11 Ų | 11 | 68 Ų | 68 | 6% | 0.059 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 179.4 | -62.1 | -0.8 | 0 | 0 | 0 | 111 | M184 R274 T280 G281 | M184-N278 WeakPolarHBondContact O-CB 3.22Å; M184-N278 PolarHBondContact O-ND2 3.01Å; R274-N278 VanDerWaalsContact O-CG 3.26Å; R274-N278 PolarHBondContact O-N 2.93Å; R274-N278 PolarHBondContact O-OD1 3.32Å; N278-T280 VanDerWaalsContact C-N 3.27Å; N278-T280 PolarHBondContact O-N 3.04Å; N278-G281 PolarHBondContact O-N 3.24Å; N278-G281 VanDerWaalsContact O-N 3.16Å |
| 279 | S | 80.8 | Confident | 77.9 | Confident | 49 Ų | 49 | 72 Ų | 72 | 34% | 0.343 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.5 | -28.1 | 175.3 | -177.1 | 0 | 0 | 0 | 0 | 113.9 | V196 V275 Y276 I277 G281 | V196-S279 WeakPolarHBondContact CG2-OG 3.45Å; V275-S279 VanDerWaalsContact O-CB 3.26Å; V275-S279 WeakPolarHBondContact O-CB 3Å; V275-S279 PolarHBondContact O-N 3.03Å; Y276-S279 PolarHBondContact O-N 3.18Å; I277-S279 PolarHBondContact O-N 2.04Å; S279-G281 PolarHBondContact O-N 2.87Å |
| 280 | T | 76.6 | Confident | 77.7 | Confident | 109 Ų | 109 | 69.5 Ų | 69.5 | 67% | 0.669 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | 2.4 | 178.3 | 52 | 0 | 0 | 0 | 0 | 113.9 | Y276 I277 N278 | Y276-T280 WeakPolarHBondContact O-CG2 3.34Å; Y276-T280 PolarHBondContact O-N 3.27Å; Y276-T280 PolarHBondContact O-OG1 3.36Å; Y276-T280 VanDerWaalsContact O-OG1 3.08Å; I277-T280 PolarHBondContact O-N 2.9Å; I277-T280 PolarHBondContact O-OG1 3.01Å; N278-T280 VanDerWaalsContact C-N 3.27Å; N278-T280 PolarHBondContact O-N 3.04Å |
| 281 | G | 64.2 | Low | 77.3 | Confident | 42 Ų | 42 | 69.5 Ų | 69.5 | 43% | 0.433 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | 7.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | N278 S279 R283 | N278-G281 PolarHBondContact O-N 3.24Å; N278-G281 VanDerWaalsContact O-N 3.16Å; S279-G281 PolarHBondContact O-N 2.87Å; G281-R283 PolarHBondContact O-N 3.45Å |
| 282 | Q | 61.6 | Low | 77.2 | Confident | 144 Ų | 144 | 73.1 Ų | 73.1 | 67% | 0.673 | 36% | 0.361 | S | S | * | . | trans | -75.8 | 70 | 166 | -68 | -167.5 | -9.4 | 0 | 0 | 110.1 | I277 K284 | I277-Q282 HydrophobicContact CG2-CB 4.43Å; Q282-K284 PolarHBondContact O-N 3.5Å | ||
| 283 | R | 59.4 | Low | 77.1 | Confident | 163 Ų | 163 | 72.9 Ų | 72.9 | 62% | 0.615 | 36% | 0.36 | S | S | * | . | trans | -70 | 49.1 | -173.1 | -58.6 | -174.9 | -170.3 | 176.7 | 3 | 114.8 | G281 | G281-R283 PolarHBondContact O-N 3.45Š| ||
| 284 | K | 60.6 | Low | 76.9 | Confident | 185 Ų | 185 | 68.6 Ų | 68.6 | 80% | 0.804 | 34% | 0.338 | S | S | * | . | trans | -93.7 | 91.8 | 161.8 | -72.6 | -159.9 | 173.1 | -162.5 | 0 | 108 | Q282 S286 | Q282-K284 PolarHBondContact O-N 3.5Å; K284-S286 PolarHBondContact O-N 2.88Å | ||
| 285 | E | 62.9 | Low | 76.9 | Confident | 90 Ų | 90 | 68.3 Ų | 68.3 | 42% | 0.421 | 34% | 0.34 | S | S | . | . | trans | -52.7 | 130.7 | 170.7 | -69.7 | -166.4 | 146.7 | 0 | 0 | 109.3 | N185 H287 | N185-E285 WeakPolarHBondContact ND2-CG 3.09Å; N185-E285 PolarHBondContact ND2-OE1 3.47Å; E285-H287 IonicContact OE2-CE1 2.71Å | ||
| 286 | S | 71.7 | Confident | 76.9 | Confident | 42 Ų | 42 | 72.2 Ų | 72.2 | 29% | 0.294 | 36% | 0.356 | S | S | . | . | trans | -138.6 | 68 | -173.3 | -165.5 | 0 | 0 | 0 | 0 | 107.8 | K284 K288 M289 D290 | K284-S286 PolarHBondContact O-N 2.88Å; S286-K288 PolarHBondContact O-N 2.88Å; S286-M289 WeakPolarHBondContact O-CA 3.5Å; S286-M289 PolarHBondContact O-N 3.01Å; S286-M289 VanDerWaalsContact OG-CG 3.31Å; S286-M289 WeakPolarHBondContact OG-CG 3.4Å; S286-D290 PolarHBondContact O-N 3.47Å; S286-D290 VanDerWaalsContact O-N 3.07Å | ||
| 287 | H | 71.1 | Confident | 76.9 | Confident | 42 Ų | 42 | 68.9 Ų | 68.9 | 19% | 0.194 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -48.4 | -34 | -176 | -54.8 | -57.4 | 0 | 0 | 0 | 113 | H11 C175 E285 M289 L291 | H11-H287 AromaticContact NE2-CE1 3.67Å; C175-H287 HydrophobicContact CB-CB 4.17Å; E285-H287 IonicContact OE2-CE1 2.71Å; H287-M289 PolarHBondContact O-N 3.11Å; H287-L291 WeakPolarHBondContact O-CB 3.27Å; H287-L291 PolarHBondContact O-N 3.23Å |
| 288 | K | 76.8 | Confident | 76.9 | Confident | 171 Ų | 171 | 67.4 Ų | 67.4 | 74% | 0.743 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -59.6 | -42 | 173.5 | -68.3 | 178.8 | -179.8 | 171.6 | 0 | 113 | S286 I292 | S286-K288 PolarHBondContact O-N 2.88Å; K288-I292 WeakPolarHBondContact O-CD1 3.37Å; K288-I292 WeakPolarHBondContact O-CG1 3.3Å; K288-I292 PolarHBondContact O-N 2.73Å |
| 289 | M | 79.9 | Confident | 77 | Confident | 85 Ų | 85 | 68.9 Ų | 68.9 | 42% | 0.419 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -81.6 | -31.9 | -178.4 | -62 | -68.1 | -104.1 | 0 | 0 | 112.4 | S286 H287 I292 A293 | S286-M289 WeakPolarHBondContact O-CA 3.5Å; S286-M289 PolarHBondContact O-N 3.01Å; S286-M289 VanDerWaalsContact OG-CG 3.31Å; S286-M289 WeakPolarHBondContact OG-CG 3.4Å; H287-M289 PolarHBondContact O-N 3.11Å; M289-I292 PolarHBondContact O-N 3.45Å; M289-I292 HydrophobicContact SD-CD1 4.05Å; M289-A293 PolarHBondContact O-N 3.4Å |
| 290 | D | 82.7 | Confident | 77.2 | Confident | 7 Ų | 7 | 66.8 Ų | 66.8 | 4% | 0.037 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.2 | -43.7 | 172 | -53.5 | -36.5 | 0 | 0 | 0 | 110 | Y174 R274 S286 I292 A293 L294 | Y174-D290 HydrophobicContact CD1-CB 3.92Å; Y174-D290 HydrophobicContact CE1-CB 3.7Å; R274-D290 VanDerWaalsContact CD-OD1 3.23Å; R274-D290 WeakPolarHBondContact CD-OD1 3.43Å; S286-D290 PolarHBondContact O-N 3.47Å; S286-D290 VanDerWaalsContact O-N 3.07Å; D290-I292 PolarHBondContact O-N 3.05Å; D290-A293 WeakPolarHBondContact O-CB 3.47Å; D290-A293 PolarHBondContact O-N 3.08Å; D290-A293 VanDerWaalsContact O-N 3.14Å; D290-L294 WeakPolarHBondContact O-CG 3.39Å; D290-L294 PolarHBondContact O-N 3.07Å |
| 291 | L | 81.2 | Confident | 77.5 | Confident | 38 Ų | 38 | 62.6 Ų | 62.6 | 20% | 0.199 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.6 | -44.3 | 170.8 | 179.4 | 64.8 | 0 | 0 | 0 | 112 | W179 H287 A293 L294 L295 | W179-L291 HydrophobicContact CG-CD1 4.31Å; H287-L291 WeakPolarHBondContact O-CB 3.27Å; H287-L291 PolarHBondContact O-N 3.23Å; L291-A293 VanDerWaalsContact C-N 3.31Å; L291-A293 PolarHBondContact O-N 2.92Å; L291-L294 PolarHBondContact O-N 2.91Å; L291-L295 HydrophobicContact CD1-CD1 4.46Å; L291-L295 HydrophobicContact CD1-CG 4.41Å; L291-L295 HydrophobicContact CG-CD1 4.09Å; L291-L295 HydrophobicContact CG-CG 4.48Å; L291-L295 WeakPolarHBondContact O-CB 3.29Å; L291-L295 VanDerWaalsContact O-CG 3.28Å; L291-L295 WeakPolarHBondContact O-CG 3.41Å; L291-L295 PolarHBondContact O-N 3.42Å |
| 292 | I | 84.8 | Confident | 78.5 | Confident | 78 Ų | 78 | 61.5 Ų | 61.5 | 40% | 0.4 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.1 | -42.8 | 174.6 | -74.4 | 163.5 | 0 | 0 | 0 | 110.7 | K288 M289 D290 L295 F296 | K288-I292 WeakPolarHBondContact O-CD1 3.37Å; K288-I292 WeakPolarHBondContact O-CG1 3.3Å; K288-I292 PolarHBondContact O-N 2.73Å; M289-I292 PolarHBondContact O-N 3.45Å; M289-I292 HydrophobicContact SD-CD1 4.05Å; D290-I292 PolarHBondContact O-N 3.05Å; I292-L295 PolarHBondContact O-N 2.95Å; I292-F296 HydrophobicContact CG2-CD2 3.73Å; I292-F296 HydrophobicContact CG2-CE2 3.8Å; I292-F296 WeakPolarHBondContact O-CD2 3.45Å; I292-F296 PolarHBondContact O-N 2.65Å |
| 293 | A | 86.6 | Confident | 79.5 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.008 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.4 | -40 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | P270 L271 R274 M289 D290 L291 F296 L297 | P270-A293 HydrophobicContact CB-CB 4.22Å; L271-A293 HydrophobicContact CB-CB 4.42Å; L271-A293 HydrophobicContact CD1-CB 4.22Å; R274-A293 HydrophobicContact CG-CB 4.06Å; M289-A293 PolarHBondContact O-N 3.4Å; D290-A293 WeakPolarHBondContact O-CB 3.47Å; D290-A293 PolarHBondContact O-N 3.08Å; D290-A293 VanDerWaalsContact O-N 3.14Å; L291-A293 VanDerWaalsContact C-N 3.31Å; L291-A293 PolarHBondContact O-N 2.92Å; A293-F296 PolarHBondContact O-N 3.14Å; A293-L297 WeakPolarHBondContact O-CB 3.25Å; A293-L297 PolarHBondContact O-N 2.78Å |
| 294 | L | 85.8 | Confident | 80.5 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.2 | -36.1 | 173.7 | -67.5 | 172.5 | 0 | 0 | 0 | 112.5 | Y174 F181 M184 L271 D290 L291 L297 S298 | Y174-L294 HydrophobicContact CD1-CD1 4.48Å; Y174-L294 HydrophobicContact CD2-CD1 4.03Å; Y174-L294 HydrophobicContact CG-CD1 4Å; F181-L294 HydrophobicContact CB-CD1 4.22Å; F181-L294 HydrophobicContact CB-CD2 3.82Å; F181-L294 HydrophobicContact CD1-CD2 3.81Å; F181-L294 HydrophobicContact CD2-CD2 3.73Å; F181-L294 HydrophobicContact CE1-CD2 4.32Å; F181-L294 HydrophobicContact CE2-CD2 4.25Å; F181-L294 HydrophobicContact CG-CD2 3.49Å; F181-L294 VanDerWaalsContact CG-CD2 3.49Å; M184-L294 HydrophobicContact CE-CD1 4.47Å; M184-L294 HydrophobicContact CE-CD2 3.78Å; M184-L294 HydrophobicContact CE-CG 4.06Å; L271-L294 HydrophobicContact CD1-CD2 3.92Å; D290-L294 WeakPolarHBondContact O-CG 3.39Å; D290-L294 PolarHBondContact O-N 3.07Å; L291-L294 PolarHBondContact O-N 2.91Å; L294-L297 PolarHBondContact O-N 3.29Å; L294-S298 WeakPolarHBondContact O-CB 3.28Å; L294-S298 PolarHBondContact O-N 3.32Å; L294-S298 PolarHBondContact O-OG 2.88Å |
| 295 | L | 86.8 | Confident | 81.6 | Confident | 39 Ų | 39 | 40.1 Ų | 40.1 | 20% | 0.204 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67 | -41.8 | 173.4 | -72 | 169.8 | 0 | 0 | 0 | 111.7 | I23 M27 W179 L291 I292 S298 T299 | I23-L295 HydrophobicContact CG2-CD2 4.49Å; M27-L295 HydrophobicContact CE-CD2 4.27Å; M27-L295 HydrophobicContact SD-CD2 3.91Å; W179-L295 HydrophobicContact CH2-CD2 4.14Å; W179-L295 HydrophobicContact CZ2-CD2 3.69Å; L291-L295 HydrophobicContact CD1-CD1 4.46Å; L291-L295 HydrophobicContact CD1-CG 4.41Å; L291-L295 HydrophobicContact CG-CD1 4.09Å; L291-L295 HydrophobicContact CG-CG 4.48Å; L291-L295 WeakPolarHBondContact O-CB 3.29Å; L291-L295 VanDerWaalsContact O-CG 3.28Å; L291-L295 WeakPolarHBondContact O-CG 3.41Å; L291-L295 PolarHBondContact O-N 3.42Å; I292-L295 PolarHBondContact O-N 2.95Å; L295-S298 WeakPolarHBondContact CA-OG 3.43Å; L295-S298 PolarHBondContact O-OG 3.36Å; L295-T299 VanDerWaalsContact O-CB 3.28Å; L295-T299 WeakPolarHBondContact O-CB 3.31Å; L295-T299 PolarHBondContact O-N 3.41Å; L295-T299 PolarHBondContact O-OG1 3.33Å |
| 296 | F | 87.6 | Confident | 82.5 | Confident | 87 Ų | 87 | 39.6 Ų | 39.6 | 38% | 0.382 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.6 | -43.2 | 173.2 | -92.4 | -77.6 | 0 | 0 | 0 | 111.9 | I266 C267 P270 I292 A293 T299 | I266-F296 HydrophobicContact CG2-CE1 4.35Å; C267-F296 VanDerWaalsContact CB-O 3.29Å; C267-F296 WeakPolarHBondContact CB-O 3.17Å; C267-F296 CarbonylContact O-C 3.48Å; C267-F296 PolarHBondContact SG-O 3.32Å; C267-F296 VanDerWaalsContact SG-O 3.36Å; P270-F296 HydrophobicContact CG-CB 4.26Å; P270-F296 HydrophobicContact CG-CD2 4.39Å; P270-F296 HydrophobicContact CG-CG 4.19Å; I292-F296 HydrophobicContact CG2-CD2 3.73Å; I292-F296 HydrophobicContact CG2-CE2 3.8Å; I292-F296 WeakPolarHBondContact O-CD2 3.45Å; I292-F296 PolarHBondContact O-N 2.65Å; A293-F296 PolarHBondContact O-N 3.14Å; F296-T299 WeakPolarHBondContact O-CB 3.28Å; F296-T299 PolarHBondContact O-N 3.42Å |
| 297 | L | 86.9 | Confident | 82.9 | Confident | 9 Ų | 9 | 38.2 Ų | 38.2 | 5% | 0.047 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.5 | -50.5 | 177.8 | -169.8 | 72.5 | 0 | 0 | 0 | 112.1 | S113 F181 M202 C267 L271 A293 L294 T299 N300 | S113-L297 WeakPolarHBondContact OG-CD1 3.03Å; F181-L297 HydrophobicContact CE2-CD2 4.16Å; F181-L297 HydrophobicContact CZ-CD2 4.24Å; M202-L297 HydrophobicContact CE-CD1 3.77Å; C267-L297 PolarHBondContact O-N 2.73Å; L271-L297 HydrophobicContact CD1-CD2 4.24Å; L271-L297 HydrophobicContact CD2-CD1 4.08Å; L271-L297 HydrophobicContact CD2-CD2 3.81Å; L271-L297 HydrophobicContact CD2-CG 4.48Å; A293-L297 WeakPolarHBondContact O-CB 3.25Å; A293-L297 PolarHBondContact O-N 2.78Å; L294-L297 PolarHBondContact O-N 3.29Å; L297-T299 VanDerWaalsContact C-N 3.28Å; L297-T299 PolarHBondContact O-N 2.99Å; L297-N300 VanDerWaalsContact O-CB 3.27Å; L297-N300 WeakPolarHBondContact O-CB 3.37Å; L297-N300 PolarHBondContact O-N 3.09Å |
| 298 | S | 85.2 | Confident | 83.2 | Confident | 23 Ų | 23 | 36.5 Ų | 36.5 | 16% | 0.161 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -70 | -22.7 | 179.4 | 52.7 | 0 | 0 | 0 | 0 | 113.6 | M27 W179 L294 L295 N300 | M27-S298 WeakPolarHBondContact CE-OG 3.46Å; W179-S298 WeakPolarHBondContact CH2-OG 3.34Å; L294-S298 WeakPolarHBondContact O-CB 3.28Å; L294-S298 PolarHBondContact O-N 3.32Å; L294-S298 PolarHBondContact O-OG 2.88Å; L295-S298 WeakPolarHBondContact CA-OG 3.43Å; L295-S298 PolarHBondContact O-OG 3.36Å; S298-N300 PolarHBondContact O-N 3.36Å |
| 299 | T | 84.8 | Confident | 83.1 | Confident | 43 Ų | 43 | 29.8 Ų | 29.8 | 26% | 0.264 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -65.5 | -24.1 | 172 | -64.2 | 0 | 0 | 0 | 0 | 112.5 | L295 F296 L297 S301 I302 V303 | L295-T299 VanDerWaalsContact O-CB 3.28Å; L295-T299 WeakPolarHBondContact O-CB 3.31Å; L295-T299 PolarHBondContact O-N 3.41Å; L295-T299 PolarHBondContact O-OG1 3.33Å; F296-T299 WeakPolarHBondContact O-CB 3.28Å; F296-T299 PolarHBondContact O-N 3.42Å; L297-T299 VanDerWaalsContact C-N 3.28Å; L297-T299 PolarHBondContact O-N 2.99Å; T299-S301 PolarHBondContact O-N 2.91Å; T299-I302 WeakPolarHBondContact O-CB 3.39Å; T299-I302 PolarHBondContact O-N 2.83Å; T299-I302 VanDerWaalsContact O-N 3.12Å; T299-V303 HydrophobicContact CG2-CG2 3.65Å; T299-V303 WeakPolarHBondContact O-CG2 3.39Å; T299-V303 PolarHBondContact O-N 3.44Å |
| 300 | N | 84.1 | Confident | 82.9 | Confident | 5 Ų | 5 | 31.1 Ų | 31.1 | 3% | 0.027 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.5 | -55.1 | -178.1 | -169.9 | 81.7 | 0 | 0 | 0 | 112.6 | F264 C267 L297 S298 I302 V303 D304 | F264-N300 WeakPolarHBondContact CA-OD1 3.34Å; F264-N300 VanDerWaalsContact CD2-CG 3.47Å; F264-N300 WeakPolarHBondContact CD2-ND2 3.44Å; F264-N300 WeakPolarHBondContact CD2-OD1 3.46Å; F264-N300 WeakPolarHBondContact CE2-ND2 3.29Å; C267-N300 HydrophobicContact CB-CB 3.99Å; L297-N300 VanDerWaalsContact O-CB 3.27Å; L297-N300 WeakPolarHBondContact O-CB 3.37Å; L297-N300 PolarHBondContact O-N 3.09Å; S298-N300 PolarHBondContact O-N 3.36Å; N300-I302 PolarHBondContact O-N 3.48Å; N300-V303 PolarHBondContact O-N 2.8Å; N300-D304 PolarHBondContact ND2-OD2 3.49Å; N300-D304 PolarHBondContact O-N 3.14Å |
| 301 | S | 82.8 | Confident | 82.1 | Confident | 20 Ų | 20 | 32.3 Ų | 32.3 | 14% | 0.14 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.4 | -10.1 | 178.6 | -64.4 | 0 | 0 | 0 | 0 | 114.5 | N35 D69 T299 | N35-S301 PolarHBondContact ND2-O 3.34Å; N35-S301 VanDerWaalsContact ND2-O 3.13Å; D69-S301 WeakPolarHBondContact OD1-CB 3.37Å; D69-S301 PolarHBondContact OD1-OG 2.97Å; T299-S301 PolarHBondContact O-N 2.91Å |
| 302 | I | 84.4 | Confident | 81.3 | Confident | 19 Ų | 19 | 30.5 Ų | 30.5 | 10% | 0.097 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -89.7 | -47.2 | 172.1 | -58.7 | 169 | 0 | 0 | 0 | 109.8 | M27 A30 T299 N300 P305 | M27-I302 HydrophobicContact CB-CD1 3.54Å; M27-I302 HydrophobicContact CE-CD1 3.84Å; M27-I302 HydrophobicContact CG-CD1 3.82Å; M27-I302 WeakPolarHBondContact O-CD1 3.45Å; A30-I302 HydrophobicContact CB-CG2 3.8Å; T299-I302 WeakPolarHBondContact O-CB 3.39Å; T299-I302 PolarHBondContact O-N 2.83Å; T299-I302 VanDerWaalsContact O-N 3.12Å; N300-I302 PolarHBondContact O-N 3.48Å; I302-P305 VanDerWaalsContact O-CD 3.3Å; I302-P305 WeakPolarHBondContact O-CD 3.46Å; I302-P305 WeakPolarHBondContact O-CG 3.42Å |
| 303 | V | 83.4 | Confident | 80.2 | Confident | 42 Ų | 42 | 27.2 Ų | 27.2 | 26% | 0.255 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -75 | -36.3 | -171.8 | 178.6 | 0 | 0 | 0 | 0 | 112.2 | I263 T299 N300 W306 V307 | I263-V303 HydrophobicContact CD1-CG1 3.97Å; I263-V303 HydrophobicContact CG2-CB 4.16Å; I263-V303 HydrophobicContact CG2-CG1 3.69Å; T299-V303 HydrophobicContact CG2-CG2 3.65Å; T299-V303 WeakPolarHBondContact O-CG2 3.39Å; T299-V303 PolarHBondContact O-N 3.44Å; N300-V303 PolarHBondContact O-N 2.8Å; V303-W306 PolarHBondContact O-N 3.4Å; V303-V307 HydrophobicContact CG1-CG2 3.62Å; V303-V307 VanDerWaalsContact O-CG2 3.32Å; V303-V307 WeakPolarHBondContact O-CG2 3.37Å; V303-V307 PolarHBondContact O-N 3.23Å |
| 304 | D | 81 | Confident | 78.9 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -50 | -53.1 | -179.3 | -74.3 | -15.5 | 0 | 0 | 0 | 114.1 | M260 N300 W306 V307 F308 | M260-D304 WeakPolarHBondContact CE-O 3.35Å; M260-D304 HydrophobicContact SD-CB 4.12Å; N300-D304 PolarHBondContact ND2-OD2 3.49Å; N300-D304 PolarHBondContact O-N 3.14Å; D304-W306 VanDerWaalsContact C-N 3.35Å; D304-W306 PolarHBondContact O-N 3.05Å; D304-V307 PolarHBondContact O-N 3.15Å; D304-F308 PolarHBondContact O-N 2.84Å |
| 305 | P | 82.2 | Confident | 77.5 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.6 | -35.9 | 176.8 | 26.8 | -38.9 | 0 | 0 | 0 | 113.7 | N35 A38 I302 F308 I309 | N35-P305 WeakPolarHBondContact OD1-CG 3.45Å; A38-P305 HydrophobicContact CB-CB 3.82Å; I302-P305 VanDerWaalsContact O-CD 3.3Å; I302-P305 WeakPolarHBondContact O-CD 3.46Å; I302-P305 WeakPolarHBondContact O-CG 3.42Å; P305-F308 PolarHBondContact O-N 2.82Å; P305-I309 WeakPolarHBondContact O-CD1 3.31Å; P305-I309 VanDerWaalsContact O-CG1 3.23Å; P305-I309 WeakPolarHBondContact O-CG1 3.17Å; P305-I309 PolarHBondContact O-N 2.93Å |
| 306 | W | 82.1 | Confident | 76.2 | Confident | 78 Ų | 78 | 32.6 Ų | 32.6 | 30% | 0.295 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -66.1 | -43.6 | 177.5 | -67.1 | 111.5 | 0 | 0 | 0 | 111.4 | A30 I33 V303 D304 F308 I309 F310 | A30-W306 PolarHBondContact O-NE1 3.1Å; A30-W306 VanDerWaalsContact O-NE1 3.11Å; I33-W306 HydrophobicContact CG2-CH2 4Å; I33-W306 HydrophobicContact CG2-CZ2 4.25Å; V303-W306 PolarHBondContact O-N 3.4Å; D304-W306 VanDerWaalsContact C-N 3.35Å; D304-W306 PolarHBondContact O-N 3.05Å; W306-F308 VanDerWaalsContact C-N 3.28Å; W306-F308 PolarHBondContact O-N 3.08Å; W306-I309 PolarHBondContact O-N 3.39Å; W306-I309 VanDerWaalsContact O-N 3.14Å; W306-F310 HydrophobicContact CB-CD2 4.16Å; W306-F310 HydrophobicContact CB-CE2 4.11Å; W306-F310 HydrophobicContact CD2-CE2 4.4Å; W306-F310 AromaticContact CE3-CE2 3.72Å; W306-F310 HydrophobicContact CE3-CE2 3.72Å; W306-F310 HydrophobicContact CE3-CZ 4.07Å; W306-F310 WeakPolarHBondContact O-CD2 3.25Å; W306-F310 PolarHBondContact O-N 2.71Å |
| 307 | V | 81.5 | Confident | 74.9 | Confident | 13 Ų | 13 | 34.3 Ų | 34.3 | 8% | 0.079 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.6 | -43.5 | 174.2 | 174.5 | 0 | 0 | 0 | 0 | 109.8 | F259 M260 I263 V303 D304 I309 L311 | F259-V307 HydrophobicContact CB-CG1 4.12Å; M260-V307 HydrophobicContact CE-CB 3.88Å; M260-V307 HydrophobicContact CE-CG1 3.77Å; M260-V307 HydrophobicContact CG-CG1 4.23Å; M260-V307 HydrophobicContact SD-CB 3.76Å; M260-V307 HydrophobicContact SD-CG1 3.54Å; M260-V307 VanDerWaalsContact SD-CG1 3.54Å; I263-V307 HydrophobicContact CD1-CG1 4.42Å; I263-V307 HydrophobicContact CD1-CG2 3.35Å; V303-V307 HydrophobicContact CG1-CG2 3.62Å; V303-V307 VanDerWaalsContact O-CG2 3.32Å; V303-V307 WeakPolarHBondContact O-CG2 3.37Å; V303-V307 PolarHBondContact O-N 3.23Å; D304-V307 PolarHBondContact O-N 3.15Å; V307-I309 VanDerWaalsContact C-N 3.35Å; V307-I309 PolarHBondContact O-N 3.47Å; V307-L311 HydrophobicContact CB-CD1 4.44Å; V307-L311 HydrophobicContact CG1-CD1 3.55Å; V307-L311 WeakPolarHBondContact O-CB 3.35Å; V307-L311 PolarHBondContact O-N 2.98Å |
| 308 | F | 76.5 | Confident | 73.5 | Confident | 7 Ų | 7 | 41.1 Ų | 41.1 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.5 | -36.3 | 175.9 | 178.2 | -98.6 | 0 | 0 | 0 | 113.4 | A38 L41 L42 V62 V256 M260 D304 P305 W306 S312 | A38-F308 HydrophobicContact CB-CD1 4.26Å; L41-F308 HydrophobicContact CD2-CE1 4.29Å; L42-F308 HydrophobicContact CD1-CE1 4.36Å; L42-F308 HydrophobicContact CD2-CE1 3.84Å; L42-F308 HydrophobicContact CD2-CE2 4.38Å; L42-F308 HydrophobicContact CD2-CZ 3.47Å; L42-F308 VanDerWaalsContact CD2-CZ 3.47Å; L42-F308 HydrophobicContact CG-CE1 3.79Å; L42-F308 HydrophobicContact CG-CZ 3.98Å; V62-F308 HydrophobicContact CG1-CD2 3.92Å; V62-F308 HydrophobicContact CG1-CE2 3.75Å; V62-F308 HydrophobicContact CG1-CG 4.43Å; V62-F308 HydrophobicContact CG1-CZ 4.13Å; V256-F308 HydrophobicContact CG1-CD2 4.36Å; M260-F308 HydrophobicContact CE-CB 3.67Å; D304-F308 PolarHBondContact O-N 2.84Å; P305-F308 PolarHBondContact O-N 2.82Å; W306-F308 VanDerWaalsContact C-N 3.28Å; W306-F308 PolarHBondContact O-N 3.08Å; F308-S312 WeakPolarHBondContact O-CA 3.08Å; F308-S312 WeakPolarHBondContact O-CB 3.19Å; F308-S312 PolarHBondContact O-N 2.88Å; F308-S312 PolarHBondContact O-OG 2.9Å |
| 309 | I | 75.1 | Confident | 72.2 | Confident | 29 Ų | 29 | 45 Ų | 45 | 15% | 0.149 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -75.9 | -42.5 | 178.8 | -68 | 159.4 | 0 | 0 | 0 | 111.8 | A37 A38 L41 P305 W306 V307 S312 V315 | A37-I309 HydrophobicContact CB-CD1 3.81Å; A38-I309 HydrophobicContact CB-CD1 4.07Å; A38-I309 HydrophobicContact CB-CG1 4.21Å; L41-I309 HydrophobicContact CD2-CG1 4.23Å; P305-I309 WeakPolarHBondContact O-CD1 3.31Å; P305-I309 VanDerWaalsContact O-CG1 3.23Å; P305-I309 WeakPolarHBondContact O-CG1 3.17Å; P305-I309 PolarHBondContact O-N 2.93Å; W306-I309 PolarHBondContact O-N 3.39Å; W306-I309 VanDerWaalsContact O-N 3.14Å; V307-I309 VanDerWaalsContact C-N 3.35Å; V307-I309 PolarHBondContact O-N 3.47Å; I309-S312 WeakPolarHBondContact O-CB 3.41Å; I309-V315 WeakPolarHBondContact O-CG2 3.13Å |
| 310 | F | 74.8 | Confident | 71 | Confident | 114 Ų | 114 | 51.7 Ų | 51.7 | 50% | 0.5 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -79.3 | -44.8 | -176.9 | -69.9 | -59 | 0 | 0 | 0 | 112.9 | W306 S312 V315 | W306-F310 HydrophobicContact CB-CD2 4.16Å; W306-F310 HydrophobicContact CB-CE2 4.11Å; W306-F310 HydrophobicContact CD2-CE2 4.4Å; W306-F310 AromaticContact CE3-CE2 3.72Å; W306-F310 HydrophobicContact CE3-CE2 3.72Å; W306-F310 HydrophobicContact CE3-CZ 4.07Å; W306-F310 WeakPolarHBondContact O-CD2 3.25Å; W306-F310 PolarHBondContact O-N 2.71Å; F310-S312 PolarHBondContact O-N 3.29Å; F310-V315 WeakPolarHBondContact O-CG1 3.43Å |
| 311 | L | 66 | Low | 69.6 | Low | 32 Ų | 32 | 53.1 Ų | 53.1 | 17% | 0.168 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -83.2 | 8.7 | 176.4 | -69.1 | 139.1 | 0 | 0 | 0 | 112.6 | I255 V256 F259 V307 L316 | I255-L311 HydrophobicContact CG2-CD2 4.24Å; V256-L311 HydrophobicContact CG2-CB 3.88Å; V256-L311 WeakPolarHBondContact CG2-O 3.38Å; F259-L311 HydrophobicContact CB-CD1 3.82Å; F259-L311 HydrophobicContact CD2-CD1 3.88Å; F259-L311 HydrophobicContact CD2-CD2 3.56Å; F259-L311 HydrophobicContact CD2-CG 4.35Å; F259-L311 HydrophobicContact CE2-CD2 3.67Å; F259-L311 HydrophobicContact CG-CD1 3.86Å; F259-L311 HydrophobicContact CG-CD2 4.34Å; V307-L311 HydrophobicContact CB-CD1 4.44Å; V307-L311 HydrophobicContact CG1-CD1 3.55Å; V307-L311 WeakPolarHBondContact O-CB 3.35Å; V307-L311 PolarHBondContact O-N 2.98Å; L311-L316 HydrophobicContact CB-CD1 4.38Å; L311-L316 HydrophobicContact CD2-CD1 4.37Å; L311-L316 HydrophobicContact CD2-CD2 4.34Å; L311-L316 WeakPolarHBondContact O-CD1 2.96Å |
| 312 | S | 65.6 | Low | 68.4 | Low | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -61.9 | 137.5 | 177 | -116 | 0 | 0 | 0 | 0 | 111.9 | R45 F308 I309 F310 S314 V315 L316 | R45-S312 VanDerWaalsContact CZ-OG 3.28Å; R45-S312 PolarHBondContact NH1-OG 2.9Å; R45-S312 PolarHBondContact NH2-OG 2.03Å; F308-S312 WeakPolarHBondContact O-CA 3.08Å; F308-S312 WeakPolarHBondContact O-CB 3.19Å; F308-S312 PolarHBondContact O-N 2.88Å; F308-S312 PolarHBondContact O-OG 2.9Å; I309-S312 WeakPolarHBondContact O-CB 3.41Å; F310-S312 PolarHBondContact O-N 3.29Å; S312-S314 PolarHBondContact O-N 2.94Å; S312-V315 WeakPolarHBondContact O-CA 3.22Å; S312-V315 PolarHBondContact O-N 2.94Å; S312-L316 PolarHBondContact O-N 2.89Å |
| 313 | P | 61.7 | Low | 67.1 | Low | 8 Ų | 8 | 59.6 Ų | 59.6 | 5% | 0.052 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -43.6 | -42.6 | 178.9 | -34.5 | 34.6 | 0 | 0 | 0 | 115.7 | E252 V315 R317 | E252-P313 HydrophobicContact CB-CB 4.37Å; E252-P313 HydrophobicContact CB-CG 3.91Å; E252-P313 WeakPolarHBondContact OE2-CB 3.44Å; P313-V315 VanDerWaalsContact C-N 3.34Å; P313-V315 PolarHBondContact O-N 3.37Å; P313-R317 VanDerWaalsContact O-CB 3.3Å; P313-R317 WeakPolarHBondContact O-CB 3.44Å; P313-R317 VanDerWaalsContact O-CG 3.31Å; P313-R317 WeakPolarHBondContact O-CG 3.37Å; P313-R317 PolarHBondContact O-N 2.75Å; P313-R317 PolarHBondContact O-NE 3.03Å |
| 314 | S | 57.9 | Low | 65.7 | Low | 61 Ų | 61 | 61 Ų | 61 | 43% | 0.427 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.1 | -37.6 | 180 | -41.3 | 0 | 0 | 0 | 0 | 112.8 | R45 S312 F318 | R45-S314 PolarHBondContact NH2-OG 2.82Å; S312-S314 PolarHBondContact O-N 2.94Å; S314-F318 WeakPolarHBondContact O-CB 3.38Å; S314-F318 PolarHBondContact O-N 3.48Å |
| 315 | V | 57.3 | Low | 64.1 | Low | 38 Ų | 38 | 69.5 Ų | 69.5 | 23% | 0.23 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -85.2 | -42.4 | -174.3 | 176.6 | 0 | 0 | 0 | 0 | 109.7 | I309 F310 S312 P313 R317 F318 F319 | I309-V315 WeakPolarHBondContact O-CG2 3.13Å; F310-V315 WeakPolarHBondContact O-CG1 3.43Å; S312-V315 WeakPolarHBondContact O-CA 3.22Å; S312-V315 PolarHBondContact O-N 2.94Å; P313-V315 VanDerWaalsContact C-N 3.34Å; P313-V315 PolarHBondContact O-N 3.37Å; V315-R317 PolarHBondContact O-N 3Å; V315-F318 WeakPolarHBondContact O-CB 3.46Å; V315-F318 PolarHBondContact O-N 3.45Å; V315-F318 VanDerWaalsContact O-N 3.13Å; V315-F319 HydrophobicContact CG1-CD2 3.55Å; V315-F319 HydrophobicContact CG1-CE2 3.37Å; V315-F319 VanDerWaalsContact O-CD2 3.3Å; V315-F319 WeakPolarHBondContact O-CD2 3.19Å; V315-F319 PolarHBondContact O-N 2.96Å |
| 316 | L | 58.7 | Low | 62 | Low | 55 Ų | 55 | 74.5 Ų | 74.5 | 29% | 0.288 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.6 | -43.5 | 169.9 | -71.9 | -179.1 | 0 | 0 | 0 | 112.4 | L311 S312 F318 F319 W320 | L311-L316 HydrophobicContact CB-CD1 4.38Å; L311-L316 HydrophobicContact CD2-CD1 4.37Å; L311-L316 HydrophobicContact CD2-CD2 4.34Å; L311-L316 WeakPolarHBondContact O-CD1 2.96Å; S312-L316 PolarHBondContact O-N 2.89Å; L316-F318 VanDerWaalsContact C-N 3.3Å; L316-F318 PolarHBondContact O-N 3.2Å; L316-F319 PolarHBondContact O-N 3.46Å; L316-W320 WeakPolarHBondContact O-CB 3.42Å; L316-W320 PolarHBondContact O-N 3.1Å |
| 317 | R | 60.9 | Low | 59.9 | Low | 123 Ų | 123 | 76.4 Ų | 76.4 | 46% | 0.464 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.2 | -30.5 | 174.3 | -75.3 | -171 | -71.1 | -102.9 | 5.6 | 113.2 | E252 P313 V315 G321 | E252-R317 IonicContact OE1-CZ 3.12Å; E252-R317 IonicContact OE1-NH1 2.69Å; E252-R317 PolarHBondContact OE1-NH1 3.36Å; E252-R317 IonicContact OE2-CZ 2.75Å; E252-R317 IonicContact OE2-NH1 3.91Å; E252-R317 PolarHBondContact OE2-NH1 3.39Å; P313-R317 VanDerWaalsContact O-CB 3.3Å; P313-R317 WeakPolarHBondContact O-CB 3.44Å; P313-R317 VanDerWaalsContact O-CG 3.31Å; P313-R317 WeakPolarHBondContact O-CG 3.37Å; P313-R317 PolarHBondContact O-N 2.75Å; P313-R317 PolarHBondContact O-NE 3.03Å; V315-R317 PolarHBondContact O-N 3Å; R317-G321 WeakPolarHBondContact O-CA 3.48Å; R317-G321 PolarHBondContact O-N 3.41Å |
| 318 | F | 58.5 | Low | 57.7 | Low | 151 Ų | 151 | 84 Ų | 84 | 66% | 0.662 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -70.8 | -50 | 174 | -179.4 | -97.1 | 0 | 0 | 0 | 111.4 | S314 V315 L316 G321 A322 | S314-F318 WeakPolarHBondContact O-CB 3.38Å; S314-F318 PolarHBondContact O-N 3.48Å; V315-F318 WeakPolarHBondContact O-CB 3.46Å; V315-F318 PolarHBondContact O-N 3.45Å; V315-F318 VanDerWaalsContact O-N 3.13Å; L316-F318 VanDerWaalsContact C-N 3.3Å; L316-F318 PolarHBondContact O-N 3.2Å; F318-G321 CarbonylContact O-C 3.6Å; F318-G321 PolarHBondContact O-N 2.93Å; F318-A322 WeakPolarHBondContact O-CB 3.25Å; F318-A322 PolarHBondContact O-N 3.36Å |
| 319 | F | 56.4 | Low | 55.8 | Low | 106 Ų | 106 | 91.9 Ų | 91.9 | 47% | 0.465 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 176.6 | -77.9 | -60.8 | 0 | 0 | 0 | 112.6 | V315 L316 G321 A322 L323 | V315-F319 HydrophobicContact CG1-CD2 3.55Å; V315-F319 HydrophobicContact CG1-CE2 3.37Å; V315-F319 VanDerWaalsContact O-CD2 3.3Å; V315-F319 WeakPolarHBondContact O-CD2 3.19Å; V315-F319 PolarHBondContact O-N 2.96Å; L316-F319 PolarHBondContact O-N 3.46Å; F319-G321 VanDerWaalsContact C-N 3.34Å; F319-A322 WeakPolarHBondContact O-CB 3.19Å; F319-A322 PolarHBondContact O-N 3.4Å; F319-A322 VanDerWaalsContact O-N 3.11Å; F319-L323 PolarHBondContact O-N 3.26Å |
| 320 | W | 60.4 | Low | 53.9 | Low | 183 Ų | 183 | 101.9 Ų | 101.9 | 69% | 0.693 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.5 | -38.7 | 174.2 | -164.3 | -89.7 | 0 | 0 | 0 | 111.3 | L316 A322 C324 | L316-W320 WeakPolarHBondContact O-CB 3.42Å; L316-W320 PolarHBondContact O-N 3.1Å; W320-A322 PolarHBondContact O-N 2.86Å; W320-C324 PolarHBondContact NE1-SG 3.27Å; W320-C324 WeakPolarHBondContact O-CB 3.11Å; W320-C324 PolarHBondContact O-N 3.24Å |
| 321 | G | 55.6 | Low | 51.9 | Low | 34 Ų | 34 | 101 Ų | 101 | 35% | 0.351 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.1 | -18.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | R317 F318 F319 K325 | R317-G321 WeakPolarHBondContact O-CA 3.48Å; R317-G321 PolarHBondContact O-N 3.41Å; F318-G321 CarbonylContact O-C 3.6Å; F318-G321 PolarHBondContact O-N 2.93Å; F319-G321 VanDerWaalsContact C-N 3.34Å; G321-K325 WeakPolarHBondContact O-CB 3.15Å; G321-K325 VanDerWaalsContact O-CD 3.29Å; G321-K325 WeakPolarHBondContact O-CD 3.38Å; G321-K325 WeakPolarHBondContact O-CG 3.37Å |
| 322 | A | 57.1 | Low | 50.3 | Low | 50 Ų | 50 | 110.8 Ų | 110.8 | 41% | 0.413 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -89.4 | -44.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F318 F319 W320 K325 | F318-A322 WeakPolarHBondContact O-CB 3.25Å; F318-A322 PolarHBondContact O-N 3.36Å; F319-A322 WeakPolarHBondContact O-CB 3.19Å; F319-A322 PolarHBondContact O-N 3.4Å; F319-A322 VanDerWaalsContact O-N 3.11Å; W320-A322 PolarHBondContact O-N 2.86Å; A322-K325 WeakPolarHBondContact O-CB 3.38Å; A322-K325 PolarHBondContact O-N 3.25Å; A322-K325 VanDerWaalsContact O-N 3.1Å |
| 323 | L | 57.1 | Low | 48.7 | Very low | 125 Ų | 125 | 119 Ų | 119 | 65% | 0.654 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.7 | -43.5 | 175.1 | -97.4 | 68 | 0 | 0 | 0 | 112 | F319 K325 T326 | F319-L323 PolarHBondContact O-N 3.26Å; L323-K325 PolarHBondContact O-N 3.44Å; L323-T326 PolarHBondContact O-N 3.39Å; L323-T326 PolarHBondContact O-OG1 3.24Å |
| 324 | C | 53.1 | Low | 47.4 | Very low | 73 Ų | 73 | 122.3 Ų | 122.3 | 49% | 0.493 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.6 | 7.8 | 173.2 | -63.4 | 0 | 0 | 0 | 0 | 113.5 | W320 | W320-C324 PolarHBondContact NE1-SG 3.27Å; W320-C324 WeakPolarHBondContact O-CB 3.11Å; W320-C324 PolarHBondContact O-N 3.24Å |
| 325 | K | 47.1 | Very low | 46.2 | Very low | 178 Ų | 178 | 127.8 Ų | 127.8 | 77% | 0.774 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | 32.3 | 161.8 | -89.5 | 177.9 | -175.3 | -174.2 | 0 | 112.5 | G321 A322 L323 | G321-K325 WeakPolarHBondContact O-CB 3.15Å; G321-K325 VanDerWaalsContact O-CD 3.29Å; G321-K325 WeakPolarHBondContact O-CD 3.38Å; G321-K325 WeakPolarHBondContact O-CG 3.37Å; A322-K325 WeakPolarHBondContact O-CB 3.38Å; A322-K325 PolarHBondContact O-N 3.25Å; A322-K325 VanDerWaalsContact O-N 3.1Å; L323-K325 PolarHBondContact O-N 3.44Å |
| 326 | T | 38.9 | Very low | 45 | Very low | 107 Ų | 107 | 134.7 Ų | 134.7 | 66% | 0.656 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -71.6 | 137.3 | 141.6 | 31.7 | 0 | 0 | 0 | 0 | 108.6 | L323 L328 | L323-T326 PolarHBondContact O-N 3.39Å; L323-T326 PolarHBondContact O-OG1 3.24Å; T326-L328 PolarHBondContact O-N 3.32Å |
| 327 | P | 38.3 | Very low | 43.8 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 77% | 0.766 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -84.4 | 89.9 | -146.4 | 31.8 | -37.9 | 0 | 0 | 0 | 114.7 | L329 | P327-L329 VanDerWaalsContact C-N 3.28Å; P327-L329 PolarHBondContact O-N 3.48Å |
| 328 | L | 35 | Very low | 42.4 | Very low | 173 Ų | 173 | 140.1 Ų | 140.1 | 91% | 0.906 | 70% | 0.698 | S | S | * | * | trans | -92 | 33.1 | 163.5 | -148.3 | 94.5 | 0 | 0 | 0 | 113.6 | T326 | T326-L328 PolarHBondContact O-N 3.32Š| ||
| 329 | L | 36.9 | Very low | 41.2 | Very low | 172 Ų | 172 | 138.2 Ų | 138.2 | 90% | 0.901 | 70% | 0.704 | S | S | * | * | trans | -128.8 | 43 | 173.7 | -142.5 | 82.5 | 0 | 0 | 0 | 113.1 | P327 | P327-L329 VanDerWaalsContact C-N 3.28Å; P327-L329 PolarHBondContact O-N 3.48Å | ||
| 330 | R | 34.3 | Very low | 40.2 | Very low | 238 Ų | 238 | 141.2 Ų | 141.2 | 90% | 0.898 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -134.6 | 40.9 | 164.5 | -156.1 | 177.1 | -178.4 | 165.9 | 1.1 | 112.9 | ||
| 331 | S | 32.6 | Very low | 39.1 | Very low | 95 Ų | 95 | 135.3 Ų | 135.3 | 66% | 0.664 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -142.1 | 38.5 | 173 | -154.7 | 0 | 0 | 0 | 0 | 113.2 | ||
| 332 | R | 32.8 | Very low | 38 | Very low | 238 Ų | 238 | 143.2 Ų | 143.2 | 90% | 0.898 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -134.7 | 14.4 | 168.5 | -135.9 | 177 | 92.4 | 165.3 | 5.7 | 115.4 | ||
| 333 | E | 32.2 | Very low | 36.6 | Very low | 174 Ų | 174 | 150.3 Ų | 150.3 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -120.8 | -22.7 | 170.3 | -71 | -169.7 | 139.3 | 0 | 0 | 113.6 | ||
| 334 | S | 33.4 | Very low | 35.2 | Very low | 76 Ų | 76 | 149.8 Ų | 149.8 | 53% | 0.531 | 77% | 0.771 | S | S | . | * | H | α-helix | trans | -73.2 | -29.9 | 175.8 | 54.2 | 0 | 0 | 0 | 0 | 113.1 | F336 | S334-F336 VanDerWaalsContact C-N 3.33Å; S334-F336 PolarHBondContact O-N 2.83Å |
| 335 | F | 32.8 | Very low | 34 | Very low | 176 Ų | 176 | 154.9 Ų | 154.9 | 77% | 0.772 | 79% | 0.787 | S | S | * | * | H | α-helix | trans | -75.8 | -17.3 | -177.8 | -128.4 | -89.7 | 0 | 0 | 0 | 114.1 | ||
| 336 | F | 32.3 | Very low | 33.1 | Very low | 184 Ų | 184 | 151 Ų | 151 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | H | α-helix | trans | -90.6 | -14.7 | 177.7 | -152.9 | -99.6 | 0 | 0 | 0 | 113.4 | S334 | S334-F336 VanDerWaalsContact C-N 3.33Å; S334-F336 PolarHBondContact O-N 2.83Å |
| 337 | K | 33.2 | Very low | 32.5 | Very low | 189 Ų | 189 | 154.4 Ų | 154.4 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | H | α-helix | trans | -92.8 | -8.9 | 175.5 | -85.7 | -176.1 | 172.5 | 179.9 | 0 | 114.8 | ||
| 338 | S | 31.9 | Very low | 32.1 | Very low | 103 Ų | 103 | 156 Ų | 156 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -89.4 | -16.6 | 179.6 | -160.2 | 0 | 0 | 0 | 0 | 114.1 | ||
| 339 | S | 33.3 | Very low | 31.7 | Very low | 111 Ų | 111 | 156.7 Ų | 156.7 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -97.6 | -1.6 | -176.2 | -165.1 | 0 | 0 | 0 | 0 | 114.7 | ||
| 340 | L | 36.9 | Very low | 31.4 | Very low | 168 Ų | 168 | 155.7 Ų | 155.7 | 88% | 0.88 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -115.7 | 50.6 | -179.3 | -153.6 | 79.5 | 0 | 0 | 0 | 110.8 | ||
| 341 | G | 36.8 | Very low | 30.9 | Very low | 59 Ų | 59 | 150.9 Ų | 150.9 | 61% | 0.608 | 79% | 0.792 | S | S | * | * | trans | -156.3 | 44 | -167.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 342 | K | 31.1 | Very low | 30.7 | Very low | 200 Ų | 200 | 155 Ų | 155 | 87% | 0.87 | 80% | 0.8 | S | S | * | * | trans | -177.4 | 82 | 159.5 | -105.6 | 162.4 | -175.9 | -178.6 | 0 | 112.8 | ||||
| 343 | Q | 28.6 | Very low | 31.6 | Very low | 200 Ų | 200 | 148.4 Ų | 148.4 | 94% | 0.935 | 79% | 0.789 | S | S | * | * | trans | -160.1 | 158.6 | 131.3 | -118 | 172.2 | -18 | 0 | 0 | 110 | ||||
| 344 | T | 28.1 | Very low | 31.4 | Very low | 114 Ų | 114 | 146.2 Ų | 146.2 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | trans | -136.7 | 127.8 | -139.1 | -56.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 345 | H | 27 | Very low | 31.2 | Very low | 180 Ų | 180 | 146.6 Ų | 146.6 | 83% | 0.833 | 80% | 0.8 | S | S | * | * | trans | 70.5 | 147.3 | 155.7 | -82 | -130.4 | 0 | 0 | 0 | 121.8 | ||||
| 346 | A | 27.8 | Very low | 31 | Very low | 95 Ų | 95 | 144.6 Ų | 144.6 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | 66.1 | 139.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 347 | Q | 27.2 | Very low | 30.9 | Very low | 180 Ų | 180 | 141 Ų | 141 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | cis | -146.1 | 149.6 | 14.9 | -157.9 | 174 | -17.5 | 0 | 0 | 111.3 | ||||
| 348 | L | 29.2 | Very low | 30.7 | Very low | 151 Ų | 151 | 140.6 Ų | 140.6 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | -71.6 | 141.1 | 162.5 | -106 | 74.5 | 0 | 0 | 0 | 109.3 | ||||
| 349 | E | 28.2 | Very low | 30.6 | Very low | 188 Ų | 188 | 144.9 Ų | 144.9 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | trans | -153.3 | 148.6 | 137.2 | -90.4 | -131.4 | 119.3 | 0 | 0 | 111.6 | ||||
| 350 | L | 28.8 | Very low | 30.5 | Very low | 151 Ų | 151 | 146.3 Ų | 146.3 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | trans | -88.2 | 147.6 | 174.9 | -87 | 60.2 | 0 | 0 | 0 | 110 | ||||
| 351 | C | 24.4 | Very low | 30.2 | Very low | 136 Ų | 136 | 147.1 Ų | 147.1 | 92% | 0.919 | 81% | 0.81 | S | S | * | * | -158.4 | 157.6 | 120.2 | -126.7 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 352 | H | 29.4 | Very low | 31 | Very low | 181 Ų | 181 | 149.5 Ų | 149.5 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | trans | -111.1 | -160.6 | -171 | -147.6 | -4 | 0 | 0 | 0 | 110.1 | ||||
| 353 | P | 50.9 | Low | 31.7 | Very low | 101 Ų | 101 | 145.4 Ų | 145.4 | 66% | 0.656 | 81% | 0.809 | S | S | * | * | trans | -112 | 163.1 | -135.9 | 40.1 | -23.5 | 0 | 0 | 0 | 114.9 | ||||
| 354 | S | 27.2 | Very low | 32 | Very low | 127 Ų | 127 | 144 Ų | 144 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | trans | -159.6 | 152 | 160.5 | -73.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 355 | A | 30.3 | Very low | 32.2 | Very low | 84 Ų | 84 | 144.1 Ų | 144.1 | 69% | 0.694 | 81% | 0.81 | S | S | * | * | cis | 169.9 | 129.7 | -24 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 356 | V | 29.3 | Very low | 32.8 | Very low | 134 Ų | 134 | 140.7 Ų | 140.7 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | trans | 58.3 | 124.6 | 148.6 | -175 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 357 | S | 28.6 | Very low | 33 | Very low | 108 Ų | 108 | 144.7 Ų | 144.7 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | 140.9 | 148.5 | 136.5 | 58.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 358 | E | 29.1 | Very low | 33.3 | Very low | 181 Ų | 181 | 145 Ų | 145 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | cis | -158.4 | 172.1 | -32.8 | -164.3 | 157.9 | -169.2 | 0 | 0 | 108.4 | ||||
| 359 | F | 30.4 | Very low | 33.5 | Very low | 193 Ų | 193 | 148.1 Ų | 148.1 | 85% | 0.846 | 83% | 0.832 | S | S | * | * | trans | -61 | 149.7 | -177.4 | -89.3 | -113.1 | 0 | 0 | 0 | 115.4 | ||||
| 360 | T | 30.1 | Very low | 33.8 | Very low | 142 Ų | 142 | 146.1 Ų | 146.1 | 87% | 0.871 | 83% | 0.83 | S | S | * | * | -175.5 | 155.5 | 110.4 | 21.1 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 361 | H | 31 | Very low | 34 | Very low | 184 Ų | 184 | 145.8 Ų | 145.8 | 85% | 0.852 | 83% | 0.832 | S | S | * | * | trans | -134.4 | 177.6 | 175.7 | -108.3 | -52.8 | 0 | 0 | 0 | 107.2 | ||||
| 362 | P | 53.2 | Low | 34.6 | Very low | 109 Ų | 109 | 146.4 Ų | 146.4 | 71% | 0.708 | 83% | 0.827 | S | S | * | * | -105.6 | -152.5 | -81.7 | 38.4 | -16.8 | 0 | 0 | 0 | 110.3 | |||||
| 363 | P | 47.4 | Very low | 34.9 | Very low | 115 Ų | 115 | 144.4 Ų | 144.4 | 75% | 0.747 | 83% | 0.826 | S | S | * | * | -154.6 | 170.6 | 66.1 | 40.5 | -17.6 | 0 | 0 | 0 | 119.2 | |||||
| 364 | M | 34.4 | Very low | 33.9 | Very low | 169 Ų | 169 | 147.1 Ų | 147.1 | 83% | 0.833 | 84% | 0.837 | S | S | * | * | trans | 25.1 | 121.6 | 152 | -73.6 | 179.7 | 128.3 | 0 | 0 | 124.1 | ||||
| 365 | S | 32.9 | Very low | 34.3 | Very low | 117 Ų | 117 | 148.4 Ų | 148.4 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | -175 | 149.1 | 111.6 | 44.1 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 366 | T | 38 | Very low | 34.6 | Very low | 108 Ų | 108 | 153 Ų | 153 | 66% | 0.663 | 84% | 0.844 | S | S | * | * | cis | 93.1 | 82.7 | -3.3 | -41.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 367 | H | 32.7 | Very low | 35 | Very low | 179 Ų | 179 | 154.5 Ų | 154.5 | 83% | 0.829 | 85% | 0.846 | S | S | * | * | -179.6 | 125.9 | 129.6 | -105.8 | -69.1 | 0 | 0 | 0 | 112.7 | |||||
| 368 | M | 32.8 | Very low | 35.6 | Very low | 187 Ų | 187 | 158.3 Ų | 158.3 | 92% | 0.921 | 85% | 0.854 | S | S | * | * | trans | -172.5 | 140.5 | 130.9 | -104.5 | -171.3 | -170.7 | 0 | 0 | 110.1 | ||||
| 369 | V | 34.8 | Very low | 36.1 | Very low | 216 Ų | 216 | 156.3 Ų | 156.3 | 100% | 1.309 | 85% | 0.854 | S | S | * | * | trans | 70.4 | 0 | -168.2 | -164.3 | 0 | 0 | 0 | 0 | 113.7 |
Retrieved 369 of 369 residues in 2554.6 ms
(Link to these results)