| 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 | 33.9 | Very low | 61.3 | Low | 249 Ų | 249 | 141.5 Ų | 141.5 | 100% | 1.227 | 68% | 0.681 | S | S | * | * | 0 | 117.9 | 0 | -85.2 | 178.1 | -90.6 | 0 | 0 | 106.8 | |||||
| 2 | A | 46.9 | Very low | 64 | Low | 77 Ų | 77 | 133.4 Ų | 133.4 | 64% | 0.636 | 65% | 0.647 | S | S | * | * | trans | -96.9 | 175 | -160.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 3 | W | 37.4 | Very low | 66.4 | Low | 194 Ų | 194 | 126 Ų | 126 | 74% | 0.735 | 61% | 0.612 | S | S | * | * | trans | 101.2 | 78 | 149.7 | -53.4 | 102.2 | 0 | 0 | 0 | 118 | W7 | W3-W7 HydrophobicContact CE3-CH2 4.32Å; W3-W7 AromaticContact CZ3-CH2 3.87Å; W3-W7 HydrophobicContact CZ3-CH2 3.87Å; W3-W7 HydrophobicContact CZ3-CZ2 4.07Å | ||
| 4 | W | 41 | Very low | 68.3 | Low | 251 Ų | 251 | 121.9 Ų | 121.9 | 95% | 0.951 | 59% | 0.59 | S | S | * | * | -166.2 | 86.7 | 120.4 | 29.7 | 65.2 | 0 | 0 | 0 | 109.2 | A6 | W4-A6 PolarHBondContact O-N 2.85Š| |||
| 5 | K | 45.6 | Very low | 70.1 | Confident | 183 Ų | 183 | 119.2 Ų | 119.2 | 80% | 0.796 | 59% | 0.588 | S | S | * | * | trans | -70.9 | 112.3 | 146.2 | -126.2 | -179.4 | 179.8 | -174.7 | 0 | 102.8 | W7 | K5-W7 PolarHBondContact O-N 3.12Š| ||
| 6 | A | 45.9 | Very low | 71.8 | Confident | 98 Ų | 98 | 121.1 Ų | 121.1 | 81% | 0.81 | 60% | 0.595 | S | S | * | * | trans | -55 | 110.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 105.6 | W4 D8 | W4-A6 PolarHBondContact O-N 2.85Å; A6-D8 PolarHBondContact O-N 2.81Å | ||
| 7 | W | 60.4 | Low | 73.3 | Confident | 190 Ų | 190 | 116.5 Ų | 116.5 | 72% | 0.72 | 57% | 0.573 | S | S | * | * | trans | -66.7 | 120.1 | 178.6 | -85.7 | -64.9 | 0 | 0 | 0 | 107 | W3 K5 L9 | W3-W7 HydrophobicContact CE3-CH2 4.32Å; W3-W7 AromaticContact CZ3-CH2 3.87Å; W3-W7 HydrophobicContact CZ3-CH2 3.87Å; W3-W7 HydrophobicContact CZ3-CZ2 4.07Å; K5-W7 PolarHBondContact O-N 3.12Å; W7-L9 PolarHBondContact O-N 2.91Å | ||
| 8 | D | 88.2 | Confident | 74.6 | Confident | 86 Ų | 86 | 115.3 Ų | 115.3 | 46% | 0.46 | 58% | 0.579 | S | S | . | * | trans | -62.5 | 118.9 | 165.3 | 178.7 | -92.3 | 0 | 0 | 0 | 107.5 | A6 T10 E11 T12 | A6-D8 PolarHBondContact O-N 2.81Å; D8-T10 PolarHBondContact O-N 3.42Å; D8-T10 WeakPolarHBondContact OD1-CA 3.25Å; D8-T10 WeakPolarHBondContact OD1-CB 3.35Å; D8-T10 PolarHBondContact OD1-N 2.98Å; D8-E11 HydrophobicContact CB-CB 4.14Å; D8-E11 HydrophobicContact CB-CG 4.02Å; D8-E11 PolarHBondContact O-N 2.98Å; D8-E11 VanDerWaalsContact O-N 3.16Å; D8-E11 PolarHBondContact OD1-N 3.45Å; D8-T12 PolarHBondContact O-N 3.44Å; D8-T12 PolarHBondContact O-OG1 3.27Å | ||
| 9 | L | 91.4 | Very high | 75.8 | Confident | 101 Ų | 101 | 111.6 Ų | 111.6 | 53% | 0.529 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -58.7 | -35.3 | -176.2 | 175.8 | 59.4 | 0 | 0 | 0 | 111 | W7 T12 L13 M29 | W7-L9 PolarHBondContact O-N 2.91Å; L9-T12 PolarHBondContact O-N 3.39Å; L9-L13 HydrophobicContact CD1-CD1 4.02Å; L9-L13 HydrophobicContact CD1-CG 4.09Å; L9-L13 HydrophobicContact CG-CD1 3.86Å; L9-L13 HydrophobicContact CG-CG 4.4Å; L9-L13 WeakPolarHBondContact O-CB 3.49Å; L9-L13 WeakPolarHBondContact O-CD1 3.44Å; L9-L13 WeakPolarHBondContact O-CG 3.45Å; L9-L13 PolarHBondContact O-N 3.18Å; L9-M29 HydrophobicContact CD2-CE 3.59Å; L9-M29 HydrophobicContact CD2-SD 4.49Å; L9-M29 HydrophobicContact CG-CE 4.08Å |
| 10 | T | 91.6 | Very high | 77 | Confident | 22 Ų | 22 | 110.4 Ų | 110.4 | 14% | 0.135 | 56% | 0.563 | C | S | . | * | H | α-helix | trans | -66.6 | -43.7 | 179 | -46.6 | 0 | 0 | 0 | 0 | 110.9 | D8 L13 K14 V26 M29 | D8-T10 PolarHBondContact O-N 3.42Å; D8-T10 WeakPolarHBondContact OD1-CA 3.25Å; D8-T10 WeakPolarHBondContact OD1-CB 3.35Å; D8-T10 PolarHBondContact OD1-N 2.98Å; T10-L13 PolarHBondContact O-N 2.75Å; T10-K14 WeakPolarHBondContact O-CG 3.2Å; T10-K14 PolarHBondContact O-N 2.92Å; T10-V26 HydrophobicContact CG2-CG1 4Å; T10-M29 HydrophobicContact CG2-CB 4.2Å |
| 11 | E | 91.8 | Very high | 78 | Confident | 105 Ų | 105 | 107.8 Ų | 107.8 | 49% | 0.491 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65 | -38.6 | 175.8 | -66.4 | -54.8 | 118.3 | 0 | 0 | 112.5 | D8 K14 S15 | D8-E11 HydrophobicContact CB-CB 4.14Å; D8-E11 HydrophobicContact CB-CG 4.02Å; D8-E11 PolarHBondContact O-N 2.98Å; D8-E11 VanDerWaalsContact O-N 3.16Å; D8-E11 PolarHBondContact OD1-N 3.45Å; E11-K14 PolarHBondContact O-N 3.45Å; E11-K14 IonicContact OE1-NZ 2.69Å; E11-K14 PolarHBondContact OE1-NZ 2.74Å; E11-S15 PolarHBondContact O-N 2.82Å; E11-S15 VanDerWaalsContact O-N 3.1Å |
| 12 | T | 94.4 | Very high | 81 | Confident | 45 Ų | 45 | 98.4 Ų | 98.4 | 28% | 0.276 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 172.7 | -60.4 | 0 | 0 | 0 | 0 | 111.6 | D8 L9 K14 S15 E16 | D8-T12 PolarHBondContact O-N 3.44Å; D8-T12 PolarHBondContact O-OG1 3.27Å; L9-T12 PolarHBondContact O-N 3.39Å; T12-K14 VanDerWaalsContact C-N 3.32Å; T12-K14 PolarHBondContact O-N 3.35Å; T12-S15 PolarHBondContact O-N 3.47Å; T12-S15 PolarHBondContact O-OG 3.11Å; T12-E16 HydrophobicContact CG2-CG 4.19Å; T12-E16 WeakPolarHBondContact O-CB 3.29Å; T12-E16 WeakPolarHBondContact O-CG 3.26Å; T12-E16 PolarHBondContact O-N 3.1Å |
| 13 | L | 94.6 | Very high | 83.5 | Confident | 37 Ų | 37 | 100.6 Ų | 100.6 | 19% | 0.194 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -64.2 | -38 | 177.8 | -71.5 | 166 | 0 | 0 | 0 | 111.9 | L9 T10 S15 L17 I25 M29 | L9-L13 HydrophobicContact CD1-CD1 4.02Å; L9-L13 HydrophobicContact CD1-CG 4.09Å; L9-L13 HydrophobicContact CG-CD1 3.86Å; L9-L13 HydrophobicContact CG-CG 4.4Å; L9-L13 WeakPolarHBondContact O-CB 3.49Å; L9-L13 WeakPolarHBondContact O-CD1 3.44Å; L9-L13 WeakPolarHBondContact O-CG 3.45Å; L9-L13 PolarHBondContact O-N 3.18Å; T10-L13 PolarHBondContact O-N 2.75Å; L13-S15 VanDerWaalsContact C-N 3.32Å; L13-S15 PolarHBondContact O-N 3.36Å; L13-L17 HydrophobicContact CB-CD1 4.49Å; L13-L17 HydrophobicContact CD2-CD1 4.03Å; L13-L17 VanDerWaalsContact O-CB 3.26Å; L13-L17 WeakPolarHBondContact O-CB 3.33Å; L13-L17 WeakPolarHBondContact O-CG 3.48Å; L13-L17 PolarHBondContact O-N 3.17Å; L13-I25 HydrophobicContact CD1-CG2 3.95Å; L13-I25 HydrophobicContact CD2-CG2 4.09Å; L13-I25 HydrophobicContact CG-CG2 4.44Å; L13-M29 HydrophobicContact CD1-CG 3.83Å; L13-M29 HydrophobicContact CD1-SD 3.91Å |
| 14 | K | 93.8 | Very high | 86.4 | Confident | 68 Ų | 68 | 91.4 Ų | 91.4 | 30% | 0.296 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.5 | -33.8 | 173.5 | -73.9 | 172.2 | -176.2 | 167.6 | 0 | 113 | T10 E11 T12 V26 | T10-K14 WeakPolarHBondContact O-CG 3.2Å; T10-K14 PolarHBondContact O-N 2.92Å; E11-K14 PolarHBondContact O-N 3.45Å; E11-K14 IonicContact OE1-NZ 2.69Å; E11-K14 PolarHBondContact OE1-NZ 2.74Å; T12-K14 VanDerWaalsContact C-N 3.32Å; T12-K14 PolarHBondContact O-N 3.35Å; K14-V26 HydrophobicContact CG-CG1 4.4Å; K14-V26 HydrophobicContact CG-CG2 3.65Å |
| 15 | S | 94.7 | Very high | 89.1 | Confident | 82 Ų | 82 | 81.2 Ų | 81.2 | 57% | 0.573 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -80.5 | -30.5 | 179.9 | 68 | 0 | 0 | 0 | 0 | 113.5 | E11 T12 L13 | E11-S15 PolarHBondContact O-N 2.82Å; E11-S15 VanDerWaalsContact O-N 3.1Å; T12-S15 PolarHBondContact O-N 3.47Å; T12-S15 PolarHBondContact O-OG 3.11Å; L13-S15 VanDerWaalsContact C-N 3.32Å; L13-S15 PolarHBondContact O-N 3.36Å |
| 16 | E | 96.6 | Very high | 91.6 | Very high | 149 Ų | 149 | 73 Ų | 73 | 70% | 0.696 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -94.4 | -26.1 | -174.5 | -64.1 | -58 | 130 | 0 | 0 | 113.8 | T12 | T12-E16 HydrophobicContact CG2-CG 4.19Å; T12-E16 WeakPolarHBondContact O-CB 3.29Å; T12-E16 WeakPolarHBondContact O-CG 3.26Å; T12-E16 PolarHBondContact O-N 3.1Å |
| 17 | L | 97.5 | Very high | 94.1 | Very high | 43 Ų | 43 | 68.6 Ų | 68.6 | 23% | 0.225 | 35% | 0.35 | C | S | . | . | trans | -100.7 | 163.2 | 179.7 | -54.4 | -177.1 | 0 | 0 | 0 | 110.8 | L13 F21 E22 I25 | L13-L17 HydrophobicContact CB-CD1 4.49Å; L13-L17 HydrophobicContact CD2-CD1 4.03Å; L13-L17 VanDerWaalsContact O-CB 3.26Å; L13-L17 WeakPolarHBondContact O-CB 3.33Å; L13-L17 WeakPolarHBondContact O-CG 3.48Å; L13-L17 PolarHBondContact O-N 3.17Å; L17-F21 HydrophobicContact CD1-CD1 4.19Å; L17-F21 HydrophobicContact CD1-CE1 3.96Å; L17-F21 HydrophobicContact CD2-CD1 4.06Å; L17-F21 HydrophobicContact CD2-CE1 3.73Å; L17-F21 HydrophobicContact CG-CE1 4.41Å; L17-E22 HydrophobicContact CB-CB 3.67Å; L17-E22 HydrophobicContact CB-CG 3.95Å; L17-I25 HydrophobicContact CD1-CB 3.83Å; L17-I25 HydrophobicContact CD1-CG1 3.98Å; L17-I25 HydrophobicContact CD1-CG2 3.79Å | ||
| 18 | S | 97.1 | Very high | 95.9 | Very high | 96 Ų | 96 | 62.9 Ų | 62.9 | 67% | 0.671 | 33% | 0.334 | S | S | * | . | trans | -140.8 | 161 | 171.8 | 63.4 | 0 | 0 | 0 | 0 | 113.4 | E22 | S18-E22 VanDerWaalsContact C-CB 3.47Å; S18-E22 WeakPolarHBondContact CA-OE2 3.34Å; S18-E22 PolarHBondContact O-N 3.46Å | ||
| 19 | G | 97.9 | Very high | 96.3 | Very high | 45 Ų | 45 | 62.1 Ų | 62.1 | 46% | 0.464 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | 69 | -145 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | F21 E22 R23 | G19-F21 VanDerWaalsContact C-N 3.29Å; G19-F21 PolarHBondContact O-N 3.18Å; G19-E22 PolarHBondContact N-OE2 2.66Å; G19-E22 PolarHBondContact O-N 2.86Å; G19-R23 WeakPolarHBondContact O-CG 3.3Å; G19-R23 PolarHBondContact O-N 3.29Å; G19-R23 VanDerWaalsContact O-N 3.15Å |
| 20 | K | 98.3 | Very high | 96.6 | Very high | 86 Ų | 86 | 60 Ų | 60 | 37% | 0.374 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.9 | -32.4 | -175.7 | -58.3 | 179.6 | -179 | -160.2 | 0 | 112.6 | R23 L24 D211 Y253 | K20-R23 PolarHBondContact O-N 2.77Å; K20-L24 PolarHBondContact O-N 2.62Å; K20-L24 VanDerWaalsContact O-N 3.1Å; K20-D211 HydrophobicContact CD-CB 4.49Å; K20-D211 WeakPolarHBondContact CD-OD1 3.47Å; K20-D211 VanDerWaalsContact CE-CG 3.46Å; K20-D211 WeakPolarHBondContact CE-OD2 3.33Å; K20-D211 IonicContact NZ-OD1 3.02Å; K20-D211 PolarHBondContact NZ-OD1 2.82Å; K20-D211 IonicContact NZ-OD2 2.67Å; K20-D211 PolarHBondContact NZ-OD2 3.15Å; K20-Y253 HydrophobicContact CB-CD1 3.76Å; K20-Y253 HydrophobicContact CB-CD2 3.83Å; K20-Y253 HydrophobicContact CB-CE1 4.02Å; K20-Y253 HydrophobicContact CB-CE2 4.1Å; K20-Y253 HydrophobicContact CB-CG 3.64Å; K20-Y253 HydrophobicContact CD-CD1 3.77Å; K20-Y253 HydrophobicContact CD-CE1 3.69Å; K20-Y253 HydrophobicContact CG-CD1 4.44Å; K20-Y253 HydrophobicContact CG-CE1 4.46Å; K20-Y253 WeakPolarHBondContact O-CD2 3.2Å |
| 21 | F | 98.4 | Very high | 96.8 | Very high | 57 Ų | 57 | 62.5 Ų | 62.5 | 25% | 0.25 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.6 | -48.5 | 177.6 | -179 | -121.2 | 0 | 0 | 0 | 111.1 | L17 G19 R23 L24 I25 D252 A256 | L17-F21 HydrophobicContact CD1-CD1 4.19Å; L17-F21 HydrophobicContact CD1-CE1 3.96Å; L17-F21 HydrophobicContact CD2-CD1 4.06Å; L17-F21 HydrophobicContact CD2-CE1 3.73Å; L17-F21 HydrophobicContact CG-CE1 4.41Å; G19-F21 VanDerWaalsContact C-N 3.29Å; G19-F21 PolarHBondContact O-N 3.18Å; F21-R23 VanDerWaalsContact C-N 3.34Å; F21-R23 PolarHBondContact O-N 2.75Å; F21-L24 PolarHBondContact O-N 3.35Å; F21-I25 HydrophobicContact CD2-CG1 4.03Å; F21-I25 HydrophobicContact CE1-CG1 4.3Å; F21-I25 HydrophobicContact CE2-CD1 3.83Å; F21-I25 HydrophobicContact CE2-CG1 3.65Å; F21-I25 HydrophobicContact CZ-CD1 4.14Å; F21-I25 HydrophobicContact CZ-CG1 3.8Å; F21-I25 WeakPolarHBondContact O-CG1 3.48Å; F21-I25 PolarHBondContact O-N 3.49Å; F21-D252 HydrophobicContact CD1-CB 4.25Å; F21-D252 HydrophobicContact CD2-CB 3.84Å; F21-D252 HydrophobicContact CE1-CB 4.36Å; F21-D252 HydrophobicContact CE2-CB 3.97Å; F21-D252 HydrophobicContact CG-CB 3.99Å; F21-D252 HydrophobicContact CZ-CB 4.23Å; F21-A256 HydrophobicContact CD2-CB 4.23Å; F21-A256 HydrophobicContact CE2-CB 3.95Å |
| 22 | E | 98.3 | Very high | 96.9 | Very high | 52 Ų | 52 | 61.6 Ų | 61.6 | 24% | 0.243 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -53 | -50.7 | 172.1 | -177.6 | -155.7 | 157.6 | 0 | 0 | 111.5 | L17 S18 G19 L24 I25 V26 | L17-E22 HydrophobicContact CB-CB 3.67Å; L17-E22 HydrophobicContact CB-CG 3.95Å; S18-E22 VanDerWaalsContact C-CB 3.47Å; S18-E22 WeakPolarHBondContact CA-OE2 3.34Å; S18-E22 PolarHBondContact O-N 3.46Å; G19-E22 PolarHBondContact N-OE2 2.66Å; G19-E22 PolarHBondContact O-N 2.86Å; E22-L24 VanDerWaalsContact C-N 3.3Å; E22-L24 PolarHBondContact O-N 3.36Å; E22-I25 PolarHBondContact O-N 2.82Å; E22-V26 HydrophobicContact CG-CG2 4.17Å; E22-V26 WeakPolarHBondContact O-CB 3.31Å; E22-V26 VanDerWaalsContact O-CG2 3.3Å; E22-V26 WeakPolarHBondContact O-CG2 3.41Å; E22-V26 PolarHBondContact O-N 2.83Å |
| 23 | R | 98.3 | Very high | 97.1 | Very high | 123 Ų | 123 | 63.7 Ų | 63.7 | 46% | 0.464 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -57.1 | -42 | -179.1 | -72.3 | -179.8 | 64.1 | -165.5 | -1.4 | 112.8 | G19 K20 F21 A27 I215 | G19-R23 WeakPolarHBondContact O-CG 3.3Å; G19-R23 PolarHBondContact O-N 3.29Å; G19-R23 VanDerWaalsContact O-N 3.15Å; K20-R23 PolarHBondContact O-N 2.77Å; F21-R23 VanDerWaalsContact C-N 3.34Å; F21-R23 PolarHBondContact O-N 2.75Å; R23-A27 VanDerWaalsContact O-CB 3.24Å; R23-A27 WeakPolarHBondContact O-CB 3.41Å; R23-A27 PolarHBondContact O-N 2.94Å; R23-I215 HydrophobicContact CB-CD1 4.02Å |
| 24 | L | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.1 | -46.4 | 177.7 | 173.9 | 60.8 | 0 | 0 | 0 | 112 | K20 F21 E22 A27 L28 I215 V219 Y253 A256 L257 L260 | K20-L24 PolarHBondContact O-N 2.62Å; K20-L24 VanDerWaalsContact O-N 3.1Å; F21-L24 PolarHBondContact O-N 3.35Å; E22-L24 VanDerWaalsContact C-N 3.3Å; E22-L24 PolarHBondContact O-N 3.36Å; L24-A27 WeakPolarHBondContact O-CB 3.31Å; L24-A27 PolarHBondContact O-N 3.14Å; L24-L28 HydrophobicContact CD1-CD1 4.43Å; L24-L28 HydrophobicContact CG-CD1 4.46Å; L24-L28 WeakPolarHBondContact O-CG 3.37Å; L24-L28 PolarHBondContact O-N 3Å; L24-L28 VanDerWaalsContact O-N 3.16Å; L24-I215 HydrophobicContact CB-CD1 4.32Å; L24-I215 HydrophobicContact CB-CG1 4.37Å; L24-I215 HydrophobicContact CD1-CG1 4.46Å; L24-I215 HydrophobicContact CD1-CG2 4.05Å; L24-V219 HydrophobicContact CD1-CG2 3.69Å; L24-Y253 HydrophobicContact CB-CD2 4.21Å; L24-Y253 HydrophobicContact CB-CE2 4.26Å; L24-Y253 HydrophobicContact CD2-CD2 3.96Å; L24-Y253 HydrophobicContact CD2-CE2 4.17Å; L24-A256 HydrophobicContact CD2-CB 3.52Å; L24-L257 HydrophobicContact CD1-CD2 4.02Å; L24-L257 HydrophobicContact CD2-CD2 3.71Å; L24-L257 HydrophobicContact CD2-CG 3.85Å; L24-L260 HydrophobicContact CD1-CD2 4.13Å |
| 25 | I | 98.3 | Very high | 97.5 | Very high | 37 Ų | 37 | 63.1 Ų | 63.1 | 19% | 0.19 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.3 | -43.3 | -178.8 | -64.7 | -57.2 | 0 | 0 | 0 | 110.9 | L13 L17 F21 E22 A27 L28 M29 | L13-I25 HydrophobicContact CD1-CG2 3.95Å; L13-I25 HydrophobicContact CD2-CG2 4.09Å; L13-I25 HydrophobicContact CG-CG2 4.44Å; L17-I25 HydrophobicContact CD1-CB 3.83Å; L17-I25 HydrophobicContact CD1-CG1 3.98Å; L17-I25 HydrophobicContact CD1-CG2 3.79Å; F21-I25 HydrophobicContact CD2-CG1 4.03Å; F21-I25 HydrophobicContact CE1-CG1 4.3Å; F21-I25 HydrophobicContact CE2-CD1 3.83Å; F21-I25 HydrophobicContact CE2-CG1 3.65Å; F21-I25 HydrophobicContact CZ-CD1 4.14Å; F21-I25 HydrophobicContact CZ-CG1 3.8Å; F21-I25 WeakPolarHBondContact O-CG1 3.48Å; F21-I25 PolarHBondContact O-N 3.49Å; E22-I25 PolarHBondContact O-N 2.82Å; I25-A27 VanDerWaalsContact C-N 3.32Å; I25-A27 PolarHBondContact O-N 2.83Å; I25-L28 HydrophobicContact CD1-CD1 4.38Å; I25-L28 WeakPolarHBondContact O-CB 3.34Å; I25-L28 PolarHBondContact O-N 2.84Å; I25-M29 WeakPolarHBondContact O-CG 3.49Å; I25-M29 PolarHBondContact O-N 3.36Å |
| 26 | V | 97.7 | Very high | 97.7 | Very high | 11 Ų | 11 | 59.4 Ų | 59.4 | 7% | 0.067 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.3 | -39.5 | 175.4 | 170.6 | 0 | 0 | 0 | 0 | 110.8 | T10 K14 E22 L28 M29 Y30 | T10-V26 HydrophobicContact CG2-CG1 4Å; K14-V26 HydrophobicContact CG-CG1 4.4Å; K14-V26 HydrophobicContact CG-CG2 3.65Å; E22-V26 HydrophobicContact CG-CG2 4.17Å; E22-V26 WeakPolarHBondContact O-CB 3.31Å; E22-V26 VanDerWaalsContact O-CG2 3.3Å; E22-V26 WeakPolarHBondContact O-CG2 3.41Å; E22-V26 PolarHBondContact O-N 2.83Å; V26-L28 VanDerWaalsContact C-N 3.26Å; V26-L28 PolarHBondContact O-N 3.39Å; V26-M29 WeakPolarHBondContact O-CB 3.31Å; V26-M29 PolarHBondContact O-N 3.42Å; V26-M29 VanDerWaalsContact O-N 3.07Å; V26-Y30 HydrophobicContact CG1-CE2 3.84Å; V26-Y30 WeakPolarHBondContact O-CD2 3.41Å |
| 27 | A | 98.1 | Very high | 97.8 | Very high | 5 Ų | 5 | 52.3 Ų | 52.3 | 4% | 0.041 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.9 | -38.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R23 L24 I25 M29 Y30 Y35 I215 V219 | R23-A27 VanDerWaalsContact O-CB 3.24Å; R23-A27 WeakPolarHBondContact O-CB 3.41Å; R23-A27 PolarHBondContact O-N 2.94Å; L24-A27 WeakPolarHBondContact O-CB 3.31Å; L24-A27 PolarHBondContact O-N 3.14Å; I25-A27 VanDerWaalsContact C-N 3.32Å; I25-A27 PolarHBondContact O-N 2.83Å; A27-M29 PolarHBondContact O-N 3.02Å; A27-Y30 PolarHBondContact O-N 3.18Å; A27-Y35 HydrophobicContact CB-CD2 4.24Å; A27-Y35 HydrophobicContact CB-CE2 3.4Å; A27-Y35 VanDerWaalsContact CB-CE2 3.4Å; A27-I215 HydrophobicContact CB-CG2 3.92Å; A27-V219 HydrophobicContact CB-CG1 4.36Å; A27-V219 HydrophobicContact CB-CG2 4.12Å |
| 28 | L | 98 | Very high | 97.8 | Very high | 70 Ų | 70 | 52.1 Ų | 52.1 | 37% | 0.366 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -69.9 | -14.9 | 177.6 | -70.3 | 163.3 | 0 | 0 | 0 | 114.3 | L24 I25 V26 V219 L260 | L24-L28 HydrophobicContact CD1-CD1 4.43Å; L24-L28 HydrophobicContact CG-CD1 4.46Å; L24-L28 WeakPolarHBondContact O-CG 3.37Å; L24-L28 PolarHBondContact O-N 3Å; L24-L28 VanDerWaalsContact O-N 3.16Å; I25-L28 HydrophobicContact CD1-CD1 4.38Å; I25-L28 WeakPolarHBondContact O-CB 3.34Å; I25-L28 PolarHBondContact O-N 2.84Å; V26-L28 VanDerWaalsContact C-N 3.26Å; V26-L28 PolarHBondContact O-N 3.39Å; L28-V219 HydrophobicContact CD2-CG1 4.16Å; L28-V219 HydrophobicContact CD2-CG2 4.14Å; L28-V219 HydrophobicContact CG-CG2 4.3Å; L28-L260 HydrophobicContact CD1-CD1 3.85Å; L28-L260 HydrophobicContact CD1-CD2 4.08Å; L28-L260 HydrophobicContact CD1-CG 4.5Å; L28-L260 HydrophobicContact CD2-CD2 3.75Å; L28-L260 HydrophobicContact CD2-CG 4.41Å; L28-L260 HydrophobicContact CG-CD2 4.33Å |
| 29 | M | 97.3 | Very high | 97.9 | Very high | 70 Ų | 70 | 48.6 Ų | 48.6 | 35% | 0.345 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -13.4 | 178.3 | -61.1 | -50.5 | -54.7 | 0 | 0 | 113.4 | L9 T10 L13 I25 V26 A27 | L9-M29 HydrophobicContact CD2-CE 3.59Å; L9-M29 HydrophobicContact CD2-SD 4.49Å; L9-M29 HydrophobicContact CG-CE 4.08Å; T10-M29 HydrophobicContact CG2-CB 4.2Å; L13-M29 HydrophobicContact CD1-CG 3.83Å; L13-M29 HydrophobicContact CD1-SD 3.91Å; I25-M29 WeakPolarHBondContact O-CG 3.49Å; I25-M29 PolarHBondContact O-N 3.36Å; V26-M29 WeakPolarHBondContact O-CB 3.31Å; V26-M29 PolarHBondContact O-N 3.42Å; V26-M29 VanDerWaalsContact O-N 3.07Å; A27-M29 PolarHBondContact O-N 3.02Å |
| 30 | Y | 96.9 | Very high | 98 | Very high | 58 Ų | 58 | 46.4 Ų | 46.4 | 23% | 0.227 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -83.4 | 136.4 | -179.3 | -77.1 | -99.1 | 0 | 0 | 0 | 111.1 | V26 A27 R34 Y35 K38 | V26-Y30 HydrophobicContact CG1-CE2 3.84Å; V26-Y30 WeakPolarHBondContact O-CD2 3.41Å; A27-Y30 PolarHBondContact O-N 3.18Å; Y30-R34 HydrophobicContact CD1-CB 4.42Å; Y30-Y35 HydrophobicContact CD2-CD2 4.32Å; Y30-Y35 HydrophobicContact CG-CD2 4.24Å; Y30-K38 HydrophobicContact CD1-CD 4.21Å; Y30-K38 HydrophobicContact CD2-CD 4.46Å; Y30-K38 HydrophobicContact CE1-CB 4.3Å; Y30-K38 HydrophobicContact CE1-CD 3.49Å; Y30-K38 VanDerWaalsContact CE1-CD 3.49Å; Y30-K38 HydrophobicContact CE1-CG 4.47Å; Y30-K38 HydrophobicContact CE2-CD 3.82Å; Y30-K38 WeakPolarHBondContact OH-CD 3.43Å |
| 31 | P | 97.3 | Very high | 98 | Very high | 74 Ų | 74 | 44.6 Ų | 44.6 | 48% | 0.481 | 21% | 0.212 | S | C | . | . | trans | -55.5 | 146.9 | 162.8 | -24.1 | 34.8 | 0 | 0 | 0 | 110.7 | Y33 R34 Y35 | P31-Y33 PolarHBondContact O-N 3.04Å; P31-R34 HydrophobicContact CB-CB 4.33Å; P31-R34 PolarHBondContact O-N 3.19Å; P31-Y35 PolarHBondContact O-N 3.47Å | ||
| 32 | P | 93.9 | Very high | 97.9 | Very high | 86 Ų | 86 | 43.4 Ų | 43.4 | 56% | 0.558 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -47.9 | -54.7 | -168.1 | -30.6 | 34.5 | 0 | 0 | 0 | 114.5 | Y35 E36 | P32-Y35 WeakPolarHBondContact O-CB 3.44Å; P32-Y35 PolarHBondContact O-N 2.94Å; P32-E36 PolarHBondContact O-N 3.2Å |
| 33 | Y | 97.9 | Very high | 97.9 | Very high | 88 Ų | 88 | 41 Ų | 41 | 35% | 0.345 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -74.3 | -28.8 | -176.5 | -48.6 | -49.3 | 0 | 0 | 0 | 113.8 | P31 E36 A37 Q65 E68 I69 | P31-Y33 PolarHBondContact O-N 3.04Å; Y33-E36 WeakPolarHBondContact CA-OE2 3.42Å; Y33-E36 PolarHBondContact O-N 2.88Å; Y33-A37 WeakPolarHBondContact O-CB 3.47Å; Y33-A37 PolarHBondContact O-N 2.89Å; Y33-Q65 HydrophobicContact CE1-CB 4.17Å; Y33-Q65 HydrophobicContact CE1-CG 3.98Å; Y33-E68 HydrophobicContact CD1-CB 4.12Å; Y33-E68 HydrophobicContact CD2-CB 3.28Å; Y33-E68 HydrophobicContact CD2-CG 3.87Å; Y33-E68 HydrophobicContact CE1-CB 4.44Å; Y33-E68 HydrophobicContact CE2-CB 3.65Å; Y33-E68 HydrophobicContact CE2-CG 3.73Å; Y33-E68 HydrophobicContact CG-CB 3.53Å; Y33-I69 HydrophobicContact CD1-CG1 4.15Å |
| 34 | R | 98.3 | Very high | 97.9 | Very high | 85 Ų | 85 | 35.9 Ų | 35.9 | 32% | 0.321 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -71.2 | -32.6 | 172.9 | -77.5 | 174.6 | 172.5 | -104.8 | -6.1 | 111.4 | Y30 P31 K38 A72 E75 D76 | Y30-R34 HydrophobicContact CD1-CB 4.42Å; P31-R34 HydrophobicContact CB-CB 4.33Å; P31-R34 PolarHBondContact O-N 3.19Å; R34-K38 WeakPolarHBondContact O-CB 3.36Å; R34-K38 PolarHBondContact O-N 2.88Å; R34-A72 HydrophobicContact CG-CB 3.75Å; R34-E75 IonicContact CZ-OE2 3.26Å; R34-E75 IonicContact NH2-OE2 2.89Å; R34-E75 PolarHBondContact NH2-OE2 3.34Å; R34-D76 IonicContact CZ-OD1 2.88Å; R34-D76 VanDerWaalsContact CZ-OD1 3.29Å; R34-D76 IonicContact CZ-OD2 3.96Å; R34-D76 IonicContact NH1-OD1 3.23Å; R34-D76 PolarHBondContact NH1-OD1 3.2Å; R34-D76 IonicContact NH1-OD2 2.73Å; R34-D76 PolarHBondContact NH1-OD2 3.46Å; R34-D76 IonicContact NH2-OD1 2.73Å; R34-D76 PolarHBondContact NH2-OD1 3.26Å |
| 35 | Y | 98.5 | Very high | 97.6 | Very high | 8 Ų | 8 | 42.3 Ų | 42.3 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.9 | -46 | 172.8 | -177.7 | -125 | 0 | 0 | 0 | 111.1 | A27 Y30 P31 P32 K38 E39 R216 V219 | A27-Y35 HydrophobicContact CB-CD2 4.24Å; A27-Y35 HydrophobicContact CB-CE2 3.4Å; A27-Y35 VanDerWaalsContact CB-CE2 3.4Å; Y30-Y35 HydrophobicContact CD2-CD2 4.32Å; Y30-Y35 HydrophobicContact CG-CD2 4.24Å; P31-Y35 PolarHBondContact O-N 3.47Å; P32-Y35 WeakPolarHBondContact O-CB 3.44Å; P32-Y35 PolarHBondContact O-N 2.94Å; Y35-K38 WeakPolarHBondContact O-CB 3.04Å; Y35-K38 PolarHBondContact O-N 2.73Å; Y35-E39 HydrophobicContact CD2-CG 4.43Å; Y35-E39 HydrophobicContact CE1-CG 4.28Å; Y35-E39 HydrophobicContact CE2-CG 3.99Å; Y35-E39 WeakPolarHBondContact O-CG 3.46Å; Y35-E39 PolarHBondContact O-N 3.02Å; Y35-R216 HydrophobicContact CE1-CB 4.38Å; Y35-R216 HydrophobicContact CE1-CG 4.02Å; Y35-R216 WeakPolarHBondContact OH-CA 3.49Å; Y35-V219 HydrophobicContact CD1-CG1 4.13Å; Y35-V219 HydrophobicContact CE1-CB 4.09Å; Y35-V219 HydrophobicContact CE1-CG1 3.87Å |
| 36 | E | 98.6 | Very high | 96.9 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 2% | 0.023 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -71.1 | -38.6 | -179.1 | -67.5 | 150.2 | 141.1 | 0 | 0 | 111.9 | P32 Y33 K38 E39 L40 R61 I69 | P32-E36 PolarHBondContact O-N 3.2Å; Y33-E36 WeakPolarHBondContact CA-OE2 3.42Å; Y33-E36 PolarHBondContact O-N 2.88Å; E36-K38 VanDerWaalsContact C-N 3.3Å; E36-K38 PolarHBondContact O-N 3.03Å; E36-E39 PolarHBondContact O-N 3.47Å; E36-L40 WeakPolarHBondContact O-CG 3.38Å; E36-L40 PolarHBondContact O-N 3.15Å; E36-R61 IonicContact OE1-CZ 2.73Å; E36-R61 IonicContact OE1-NE 2.88Å; E36-R61 PolarHBondContact OE1-NE 3.06Å; E36-R61 IonicContact OE1-NH2 3.45Å; E36-R61 PolarHBondContact OE1-NH2 3.19Å; E36-I69 HydrophobicContact CB-CD1 3.83Å; E36-I69 HydrophobicContact CB-CG1 3.96Å; E36-I69 HydrophobicContact CB-CG2 4.45Å; E36-I69 HydrophobicContact CG-CD1 4.4Å |
| 37 | A | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.5 | -44 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y33 L40 H41 I69 A72 Y73 Y77 | Y33-A37 WeakPolarHBondContact O-CB 3.47Å; Y33-A37 PolarHBondContact O-N 2.89Å; A37-L40 PolarHBondContact O-N 3.08Å; A37-H41 WeakPolarHBondContact O-CB 3.5Å; A37-H41 PolarHBondContact O-N 2.92Å; A37-I69 HydrophobicContact CB-CG2 4.44Å; A37-A72 HydrophobicContact CB-CB 4.07Å; A37-Y73 HydrophobicContact CB-CD2 4.13Å; A37-Y73 WeakPolarHBondContact O-CD2 3.48Å; A37-Y77 HydrophobicContact CB-CE2 4.4Å |
| 38 | K | 98.4 | Very high | 96 | Very high | 38 Ų | 38 | 53.7 Ų | 53.7 | 17% | 0.165 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63 | -44.1 | 174.3 | 176.3 | -176.9 | 171.4 | -54.5 | 0 | 113.2 | Y30 R34 Y35 E36 L40 H41 D42 Y77 | Y30-K38 HydrophobicContact CD1-CD 4.21Å; Y30-K38 HydrophobicContact CD2-CD 4.46Å; Y30-K38 HydrophobicContact CE1-CB 4.3Å; Y30-K38 HydrophobicContact CE1-CD 3.49Å; Y30-K38 VanDerWaalsContact CE1-CD 3.49Å; Y30-K38 HydrophobicContact CE1-CG 4.47Å; Y30-K38 HydrophobicContact CE2-CD 3.82Å; Y30-K38 WeakPolarHBondContact OH-CD 3.43Å; R34-K38 WeakPolarHBondContact O-CB 3.36Å; R34-K38 PolarHBondContact O-N 2.88Å; Y35-K38 WeakPolarHBondContact O-CB 3.04Å; Y35-K38 PolarHBondContact O-N 2.73Å; E36-K38 VanDerWaalsContact C-N 3.3Å; E36-K38 PolarHBondContact O-N 3.03Å; K38-L40 VanDerWaalsContact C-N 3.28Å; K38-L40 PolarHBondContact O-N 2.88Å; K38-H41 PolarHBondContact O-N 3.3Å; K38-D42 IonicContact NZ-OD2 2.82Å; K38-D42 PolarHBondContact NZ-OD2 2.99Å; K38-D42 WeakPolarHBondContact O-CB 3.24Å; K38-D42 PolarHBondContact O-N 3.41Å; K38-Y77 WeakPolarHBondContact CA-OH 3.42Å; K38-Y77 WeakPolarHBondContact CB-OH 3.39Å |
| 39 | E | 98.6 | Very high | 95.9 | Very high | 22 Ų | 22 | 52.3 Ų | 52.3 | 10% | 0.103 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.6 | -35.6 | 178.6 | -73.6 | -72.3 | 120.1 | 0 | 0 | 111.8 | Y35 E36 A43 V53 I57 R216 | Y35-E39 HydrophobicContact CD2-CG 4.43Å; Y35-E39 HydrophobicContact CE1-CG 4.28Å; Y35-E39 HydrophobicContact CE2-CG 3.99Å; Y35-E39 WeakPolarHBondContact O-CG 3.46Å; Y35-E39 PolarHBondContact O-N 3.02Å; E36-E39 PolarHBondContact O-N 3.47Å; E39-A43 WeakPolarHBondContact O-CB 3.45Å; E39-A43 PolarHBondContact O-N 3.02Å; E39-A43 VanDerWaalsContact O-N 3.1Å; E39-V53 HydrophobicContact CB-CG1 4.42Å; E39-I57 HydrophobicContact CB-CD1 3.97Å; E39-R216 HydrophobicContact CG-CG 4.16Å; E39-R216 WeakPolarHBondContact OE2-CD 3.33Å; E39-R216 IonicContact OE2-CZ 3.32Å; E39-R216 IonicContact OE2-NE 2.75Å; E39-R216 IonicContact OE2-NH1 2.66Å; E39-R216 PolarHBondContact OE2-NH1 3.24Å |
| 40 | L | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.6 | -45.6 | 172.1 | -71.2 | 166.5 | 0 | 0 | 0 | 111.7 | E36 A37 K38 D42 A43 M44 I54 I57 L58 I69 Y73 L81 | E36-L40 WeakPolarHBondContact O-CG 3.38Å; E36-L40 PolarHBondContact O-N 3.15Å; A37-L40 PolarHBondContact O-N 3.08Å; K38-L40 VanDerWaalsContact C-N 3.28Å; K38-L40 PolarHBondContact O-N 2.88Å; L40-D42 PolarHBondContact O-N 3.24Å; L40-A43 WeakPolarHBondContact O-CB 3.44Å; L40-A43 PolarHBondContact O-N 3.47Å; L40-A43 VanDerWaalsContact O-N 3.1Å; L40-M44 WeakPolarHBondContact O-CE 2.99Å; L40-M44 PolarHBondContact O-N 3.22Å; L40-I54 HydrophobicContact CD2-CB 4.28Å; L40-I54 HydrophobicContact CD2-CG1 4.28Å; L40-I54 HydrophobicContact CD2-CG2 4.07Å; L40-I57 HydrophobicContact CD1-CG2 4.11Å; L40-I57 HydrophobicContact CD2-CB 4.21Å; L40-I57 HydrophobicContact CD2-CD1 3.95Å; L40-I57 HydrophobicContact CD2-CG2 4.36Å; L40-I57 HydrophobicContact CG-CD1 3.81Å; L40-I57 HydrophobicContact CG-CG2 4.35Å; L40-L58 HydrophobicContact CD1-CD1 4.33Å; L40-L58 HydrophobicContact CD2-CD1 3.85Å; L40-I69 HydrophobicContact CD1-CG2 3.63Å; L40-Y73 HydrophobicContact CB-CD2 4.31Å; L40-Y73 HydrophobicContact CB-CE2 4.05Å; L40-L81 HydrophobicContact CB-CD1 4.12Å; L40-L81 HydrophobicContact CD1-CD1 3.95Å; L40-L81 HydrophobicContact CD1-CD2 3.67Å; L40-L81 HydrophobicContact CD1-CG 4.49Å; L40-L81 HydrophobicContact CG-CD1 4.48Å |
| 41 | H | 98.5 | Very high | 96 | Very high | 48 Ų | 48 | 54.9 Ų | 54.9 | 22% | 0.222 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.5 | -44 | 177.2 | -179.4 | 77.1 | 0 | 0 | 0 | 111.5 | A37 K38 A43 M44 K45 Y73 Y77 | A37-H41 WeakPolarHBondContact O-CB 3.5Å; A37-H41 PolarHBondContact O-N 2.92Å; K38-H41 PolarHBondContact O-N 3.3Å; H41-A43 PolarHBondContact O-N 3.42Å; H41-M44 PolarHBondContact O-N 2.86Å; H41-M44 VanDerWaalsContact O-N 3.13Å; H41-K45 WeakPolarHBondContact NE2-CD 3.17Å; H41-K45 WeakPolarHBondContact O-CB 3.32Å; H41-K45 PolarHBondContact O-N 2.92Å; H41-Y73 HydrophobicContact CB-CE2 3.76Å; H41-Y73 PolarHBondContact ND1-OH 3.26Å; H41-Y77 HydrophobicContact CB-CD1 4.32Å; H41-Y77 HydrophobicContact CB-CD2 3.91Å; H41-Y77 HydrophobicContact CB-CE1 3.96Å; H41-Y77 HydrophobicContact CB-CE2 3.5Å; H41-Y77 VanDerWaalsContact CB-CE2 3.5Å; H41-Y77 HydrophobicContact CB-CG 4.31Å; H41-Y77 AromaticContact CD2-CD1 3.83Å; H41-Y77 AromaticContact CD2-CE1 3.47Å; H41-Y77 VanDerWaalsContact CD2-CE1 3.47Å; H41-Y77 WeakPolarHBondContact CD2-CE1 3.43Å; H41-Y77 AromaticContact CD2-CZ 3.91Å; H41-Y77 AromaticContact CE1-CD1 3.68Å; H41-Y77 AromaticContact CG-CD1 3.64Å; H41-Y77 AromaticContact CG-CE1 3.51Å; H41-Y77 AromaticContact CG-CE2 3.91Å; H41-Y77 AromaticContact CG-CG 3.93Å; H41-Y77 AromaticContact CG-CZ 3.66Å; H41-Y77 AromaticContact ND1-CD1 3.55Å; H41-Y77 AromaticContact ND1-CE1 3.93Å; H41-Y77 AromaticContact ND1-CG 3.65Å; H41-Y77 AromaticContact NE2-CD1 3.88Å; H41-Y77 AromaticContact NE2-CE1 3.91Å |
| 42 | D | 97.6 | Very high | 96 | Very high | 32 Ų | 32 | 52.2 Ų | 52.2 | 17% | 0.171 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.2 | -17.6 | 175.6 | -75.1 | -9.6 | 0 | 0 | 0 | 113.7 | K38 L40 K45 K50 | K38-D42 IonicContact NZ-OD2 2.82Å; K38-D42 PolarHBondContact NZ-OD2 2.99Å; K38-D42 WeakPolarHBondContact O-CB 3.24Å; K38-D42 PolarHBondContact O-N 3.41Å; L40-D42 PolarHBondContact O-N 3.24Å; D42-K45 WeakPolarHBondContact OD1-CE 3.47Å; D42-K45 IonicContact OD1-NZ 3.81Å; D42-K45 PolarHBondContact OD1-NZ 3.13Å; D42-K50 PolarHBondContact O-NZ 3.34Å |
| 43 | A | 97.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -80.7 | -26.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E39 L40 H41 T49 K50 V53 I54 | E39-A43 WeakPolarHBondContact O-CB 3.45Å; E39-A43 PolarHBondContact O-N 3.02Å; E39-A43 VanDerWaalsContact O-N 3.1Å; L40-A43 WeakPolarHBondContact O-CB 3.44Å; L40-A43 PolarHBondContact O-N 3.47Å; L40-A43 VanDerWaalsContact O-N 3.1Å; H41-A43 PolarHBondContact O-N 3.42Å; A43-T49 WeakPolarHBondContact O-CA 3.37Å; A43-K50 HydrophobicContact CB-CB 3.94Å; A43-K50 PolarHBondContact O-N 3.42Å; A43-V53 HydrophobicContact CB-CB 3.97Å; A43-V53 HydrophobicContact CB-CG1 4.07Å; A43-I54 HydrophobicContact CB-CD1 4.47Å; A43-I54 HydrophobicContact CB-CG1 3.97Å |
| 44 | M | 97.9 | Very high | 96.3 | Very high | 15 Ų | 15 | 44.7 Ų | 44.7 | 7% | 0.074 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -109.1 | -27.2 | -174.8 | -62.2 | -179.8 | -68.5 | 0 | 0 | 113.7 | L40 H41 G46 I54 Y73 L81 D84 I85 D88 | L40-M44 WeakPolarHBondContact O-CE 2.99Å; L40-M44 PolarHBondContact O-N 3.22Å; H41-M44 PolarHBondContact O-N 2.86Å; H41-M44 VanDerWaalsContact O-N 3.13Å; M44-G46 PolarHBondContact O-N 3.4Å; M44-G46 VanDerWaalsContact O-N 3.08Å; M44-I54 HydrophobicContact CG-CD1 3.73Å; M44-I54 HydrophobicContact SD-CD1 4.1Å; M44-Y73 HydrophobicContact CE-CE2 4.03Å; M44-Y73 WeakPolarHBondContact CE-OH 3.33Å; M44-L81 HydrophobicContact CE-CD1 3.8Å; M44-D84 HydrophobicContact CE-CB 3.96Å; M44-D84 HydrophobicContact SD-CB 4.17Å; M44-I85 HydrophobicContact CE-CG1 4.41Å; M44-I85 HydrophobicContact SD-CG1 3.76Å; M44-D88 WeakPolarHBondContact CA-OD2 3.32Å; M44-D88 HydrophobicContact CB-CB 4.34Å; M44-D88 HydrophobicContact CG-CB 4.25Å; M44-D88 HydrophobicContact SD-CB 4.42Å |
| 45 | K | 92.1 | Very high | 96.3 | Very high | 136 Ų | 136 | 40.7 Ų | 40.7 | 59% | 0.591 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -69 | -10.1 | -175 | 79.1 | -173.1 | -166.7 | -173.9 | 0 | 115.8 | H41 D42 | H41-K45 WeakPolarHBondContact NE2-CD 3.17Å; H41-K45 WeakPolarHBondContact O-CB 3.32Å; H41-K45 PolarHBondContact O-N 2.92Å; D42-K45 WeakPolarHBondContact OD1-CE 3.47Å; D42-K45 IonicContact OD1-NZ 3.81Å; D42-K45 PolarHBondContact OD1-NZ 3.13Å |
| 46 | G | 84.3 | Confident | 96.3 | Very high | 46 Ų | 46 | 40.3 Ų | 40.3 | 47% | 0.474 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -99 | -175.3 | -165.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | M44 G48 | M44-G46 PolarHBondContact O-N 3.4Å; M44-G46 VanDerWaalsContact O-N 3.08Å; G46-G48 PolarHBondContact O-N 3.2Å; G46-G48 VanDerWaalsContact O-N 3.11Å |
| 47 | L | 85.2 | Confident | 96.3 | Very high | 192 Ų | 192 | 40 Ų | 40 | 100% | 1.005 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -70.5 | 105.2 | 166.6 | -75.4 | 175.8 | 0 | 0 | 0 | 109.4 | ||
| 48 | G | 91.4 | Very high | 96.2 | Very high | 54 Ų | 54 | 40 Ų | 40 | 56% | 0.557 | 22% | 0.224 | S | C | * | . | S | Bend | trans | 75.1 | 165.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G46 | G46-G48 PolarHBondContact O-N 3.2Å; G46-G48 VanDerWaalsContact O-N 3.11Å |
| 49 | T | 96 | Very high | 96.2 | Very high | 40 Ų | 40 | 38.2 Ų | 38.2 | 25% | 0.245 | 22% | 0.217 | C | C | . | . | trans | -99.1 | 133.9 | -172.1 | -45.4 | 0 | 0 | 0 | 0 | 111.1 | A43 E51 I54 D88 T89 | A43-T49 WeakPolarHBondContact O-CA 3.37Å; T49-E51 HydrophobicContact CG2-CG 3.85Å; T49-E51 PolarHBondContact O-N 3.27Å; T49-E51 VanDerWaalsContact O-N 3.1Å; T49-I54 HydrophobicContact CG2-CD1 3.57Å; T49-D88 VanDerWaalsContact CB-OD2 3.24Å; T49-D88 WeakPolarHBondContact CB-OD2 3.45Å; T49-D88 WeakPolarHBondContact CG2-OD2 3.33Å; T49-D88 PolarHBondContact OG1-O 3.29Å; T49-D88 PolarHBondContact OG1-OD2 3.01Å; T49-T89 HydrophobicContact CG2-CG2 4.45Å | ||
| 50 | K | 97.4 | Very high | 96.1 | Very high | 121 Ų | 121 | 37.4 Ų | 37.4 | 53% | 0.526 | 21% | 0.213 | S | C | . | . | trans | -86.3 | 67.2 | 170.4 | -57.6 | 178.7 | -167.6 | 134 | 0 | 109.9 | D42 A43 G52 V53 | D42-K50 PolarHBondContact O-NZ 3.34Å; A43-K50 HydrophobicContact CB-CB 3.94Å; A43-K50 PolarHBondContact O-N 3.42Å; K50-G52 PolarHBondContact O-N 3.42Å; K50-G52 VanDerWaalsContact O-N 3.12Å; K50-V53 HydrophobicContact CB-CB 4.4Å; K50-V53 HydrophobicContact CB-CG2 3.93Å; K50-V53 WeakPolarHBondContact O-CB 3.48Å; K50-V53 PolarHBondContact O-N 2.94Å | ||
| 51 | E | 97.9 | Very high | 96 | Very high | 62 Ų | 62 | 37.5 Ų | 37.5 | 29% | 0.29 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -50.8 | -41.1 | -172.7 | -63.3 | 174.2 | 152 | 0 | 0 | 113 | T49 V53 I54 I55 L93 S177 | T49-E51 HydrophobicContact CG2-CG 3.85Å; T49-E51 PolarHBondContact O-N 3.27Å; T49-E51 VanDerWaalsContact O-N 3.1Å; E51-V53 PolarHBondContact O-N 3.29Å; E51-V53 VanDerWaalsContact O-N 3.15Å; E51-I54 PolarHBondContact O-N 3.25Å; E51-I55 HydrophobicContact CB-CD1 4.48Å; E51-I55 WeakPolarHBondContact O-CG1 3.47Å; E51-I55 PolarHBondContact O-N 3.05Å; E51-L93 HydrophobicContact CB-CD2 4.16Å; E51-L93 HydrophobicContact CG-CD2 3.81Å; E51-L93 VanDerWaalsContact OE1-CD2 3.22Å; E51-L93 WeakPolarHBondContact OE1-CD2 3.28Å; E51-S177 WeakPolarHBondContact OE2-CB 3.25Å; E51-S177 PolarHBondContact OE2-OG 3.32Å |
| 52 | G | 98.1 | Very high | 95.7 | Very high | 18 Ų | 18 | 37.9 Ų | 37.9 | 19% | 0.186 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.1 | -18.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | K50 E56 | K50-G52 PolarHBondContact O-N 3.42Å; K50-G52 VanDerWaalsContact O-N 3.12Å; G52-E56 VanDerWaalsContact O-CB 3.27Å; G52-E56 WeakPolarHBondContact O-CB 3.31Å; G52-E56 PolarHBondContact O-N 3.4Å |
| 53 | V | 98.6 | Very high | 95.5 | Very high | 15 Ų | 15 | 38.9 Ų | 38.9 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -76.9 | -45.5 | 170.8 | 177.3 | 0 | 0 | 0 | 0 | 110 | E39 A43 K50 E51 E56 I57 | E39-V53 HydrophobicContact CB-CG1 4.42Å; A43-V53 HydrophobicContact CB-CB 3.97Å; A43-V53 HydrophobicContact CB-CG1 4.07Å; K50-V53 HydrophobicContact CB-CB 4.4Å; K50-V53 HydrophobicContact CB-CG2 3.93Å; K50-V53 WeakPolarHBondContact O-CB 3.48Å; K50-V53 PolarHBondContact O-N 2.94Å; E51-V53 PolarHBondContact O-N 3.29Å; E51-V53 VanDerWaalsContact O-N 3.15Å; V53-E56 PolarHBondContact O-N 3.33Å; V53-I57 HydrophobicContact CG1-CD1 3.94Å; V53-I57 WeakPolarHBondContact O-CG1 3.31Å; V53-I57 PolarHBondContact O-N 3.27Å |
| 54 | I | 98.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.8 | -48.4 | 179.6 | -50.5 | 174 | 0 | 0 | 0 | 109.4 | L40 A43 M44 T49 E51 E56 I57 L58 I85 L97 | L40-I54 HydrophobicContact CD2-CB 4.28Å; L40-I54 HydrophobicContact CD2-CG1 4.28Å; L40-I54 HydrophobicContact CD2-CG2 4.07Å; A43-I54 HydrophobicContact CB-CD1 4.47Å; A43-I54 HydrophobicContact CB-CG1 3.97Å; M44-I54 HydrophobicContact CG-CD1 3.73Å; M44-I54 HydrophobicContact SD-CD1 4.1Å; T49-I54 HydrophobicContact CG2-CD1 3.57Å; E51-I54 PolarHBondContact O-N 3.25Å; I54-E56 PolarHBondContact O-N 3.44Å; I54-I57 PolarHBondContact O-N 2.85Å; I54-L58 HydrophobicContact CG2-CD1 4.13Å; I54-L58 HydrophobicContact CG2-CD2 4.09Å; I54-L58 WeakPolarHBondContact O-CB 3.28Å; I54-L58 WeakPolarHBondContact O-CD1 3.31Å; I54-L58 PolarHBondContact O-N 2.93Å; I54-I85 HydrophobicContact CG2-CD1 3.95Å; I54-I85 HydrophobicContact CG2-CG1 4.27Å; I54-L97 HydrophobicContact CG2-CD1 3.93Å; I54-L97 HydrophobicContact CG2-CD2 4.12Å |
| 55 | I | 98.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.2 | -50.7 | 176 | -68.8 | 166.2 | 0 | 0 | 0 | 111.2 | E51 I57 A59 L93 L97 S177 E180 A181 T184 | E51-I55 HydrophobicContact CB-CD1 4.48Å; E51-I55 WeakPolarHBondContact O-CG1 3.47Å; E51-I55 PolarHBondContact O-N 3.05Å; I55-I57 PolarHBondContact O-N 3.25Å; I55-A59 WeakPolarHBondContact O-CB 3.43Å; I55-A59 PolarHBondContact O-N 2.89Å; I55-L93 HydrophobicContact CD1-CD1 3.99Å; I55-L93 HydrophobicContact CG1-CD1 4.16Å; I55-L97 HydrophobicContact CG1-CD2 4.01Å; I55-S177 WeakPolarHBondContact CD1-O 3.15Å; I55-E180 HydrophobicContact CD1-CB 4.18Å; I55-E180 HydrophobicContact CD1-CG 4.18Å; I55-E180 HydrophobicContact CG2-CG 4.37Å; I55-A181 HydrophobicContact CD1-CB 4.09Å; I55-A181 HydrophobicContact CG1-CB 4.03Å; I55-A181 HydrophobicContact CG2-CB 4.24Å; I55-T184 HydrophobicContact CG2-CG2 4.03Å |
| 56 | E | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.8 | -47.9 | -179.1 | 176.6 | -176.3 | 100.1 | 0 | 0 | 111.3 | G52 V53 I54 S60 Y195 R199 R216 N217 | G52-E56 VanDerWaalsContact O-CB 3.27Å; G52-E56 WeakPolarHBondContact O-CB 3.31Å; G52-E56 PolarHBondContact O-N 3.4Å; V53-E56 PolarHBondContact O-N 3.33Å; I54-E56 PolarHBondContact O-N 3.44Å; E56-S60 WeakPolarHBondContact O-CB 3.11Å; E56-S60 PolarHBondContact O-N 3.48Å; E56-S60 PolarHBondContact O-OG 3.03Å; E56-Y195 HydrophobicContact CG-CE1 4.34Å; E56-Y195 WeakPolarHBondContact CG-OH 3.46Å; E56-R199 IonicContact OE2-CZ 2.79Å; E56-R199 VanDerWaalsContact OE2-CZ 3.23Å; E56-R199 IonicContact OE2-NE 2.59Å; E56-R199 PolarHBondContact OE2-NE 3.34Å; E56-R199 IonicContact OE2-NH2 3.02Å; E56-R199 PolarHBondContact OE2-NH2 3.05Å; E56-R216 IonicContact OE1-CZ 2.79Å; E56-R216 VanDerWaalsContact OE1-CZ 3.26Å; E56-R216 IonicContact OE1-NE 3.48Å; E56-R216 PolarHBondContact OE1-NE 3.47Å; E56-R216 IonicContact OE1-NH2 3.68Å; E56-R216 PolarHBondContact OE1-NH2 3.46Å; E56-R216 IonicContact OE2-NH2 3.29Å; E56-N217 PolarHBondContact OE1-ND2 3.07Å; E56-N217 VanDerWaalsContact OE1-ND2 3.16Å; E56-N217 PolarHBondContact OE1-OD1 3.42Å; E56-N217 PolarHBondContact OE2-ND2 3.31Å; E56-N217 VanDerWaalsContact OE2-ND2 3.08Å |
| 57 | I | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69 | -52.8 | -177.6 | -64.7 | 170.3 | 0 | 0 | 0 | 110.3 | E39 L40 V53 I54 I55 A59 S60 R61 I69 | E39-I57 HydrophobicContact CB-CD1 3.97Å; L40-I57 HydrophobicContact CD1-CG2 4.11Å; L40-I57 HydrophobicContact CD2-CB 4.21Å; L40-I57 HydrophobicContact CD2-CD1 3.95Å; L40-I57 HydrophobicContact CD2-CG2 4.36Å; L40-I57 HydrophobicContact CG-CD1 3.81Å; L40-I57 HydrophobicContact CG-CG2 4.35Å; V53-I57 HydrophobicContact CG1-CD1 3.94Å; V53-I57 WeakPolarHBondContact O-CG1 3.31Å; V53-I57 PolarHBondContact O-N 3.27Å; I54-I57 PolarHBondContact O-N 2.85Å; I55-I57 PolarHBondContact O-N 3.25Å; I57-A59 PolarHBondContact O-N 3.23Å; I57-S60 PolarHBondContact O-N 3.45Å; I57-R61 WeakPolarHBondContact O-CD 3.43Å; I57-R61 PolarHBondContact O-N 2.95Å; I57-I69 HydrophobicContact CG2-CD1 4.24Å |
| 58 | L | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.5 | -37.8 | -174 | -89.6 | 58.9 | 0 | 0 | 0 | 113 | L40 I54 I85 L97 L100 L101 | L40-L58 HydrophobicContact CD1-CD1 4.33Å; L40-L58 HydrophobicContact CD2-CD1 3.85Å; I54-L58 HydrophobicContact CG2-CD1 4.13Å; I54-L58 HydrophobicContact CG2-CD2 4.09Å; I54-L58 WeakPolarHBondContact O-CB 3.28Å; I54-L58 WeakPolarHBondContact O-CD1 3.31Å; I54-L58 PolarHBondContact O-N 2.93Å; L58-I85 HydrophobicContact CD2-CD1 3.84Å; L58-L97 HydrophobicContact CD2-CB 3.95Å; L58-L97 HydrophobicContact CD2-CD2 4.01Å; L58-L97 WeakPolarHBondContact CD2-O 3.49Å; L58-L100 HydrophobicContact CB-CB 4.17Å; L58-L100 HydrophobicContact CB-CD1 4.2Å; L58-L101 HydrophobicContact CD1-CD2 4.15Å; L58-L101 HydrophobicContact CD2-CD1 4.12Å; L58-L101 HydrophobicContact CD2-CD2 3.89Å; L58-L101 HydrophobicContact CD2-CG 3.68Å; L58-L101 HydrophobicContact CG-CD2 3.81Å; L58-L101 HydrophobicContact CG-CG 4.11Å |
| 59 | A | 97.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -78.8 | -28 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | I55 I57 L100 R105 T184 V185 | I55-A59 WeakPolarHBondContact O-CB 3.43Å; I55-A59 PolarHBondContact O-N 2.89Å; I57-A59 PolarHBondContact O-N 3.23Å; A59-L100 HydrophobicContact CB-CD1 4.2Å; A59-R105 PolarHBondContact O-NH1 3.37Å; A59-R105 PolarHBondContact O-NH2 2.74Å; A59-T184 HydrophobicContact CB-CG2 3.48Å; A59-T184 VanDerWaalsContact CB-CG2 3.48Å; A59-V185 HydrophobicContact CB-CG2 3.85Å |
| 60 | S | 97.1 | Very high | 96.9 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 3% | 0.028 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -98 | -11.2 | -172.7 | 68.7 | 0 | 0 | 0 | 0 | 114.9 | E56 I57 | E56-S60 WeakPolarHBondContact O-CB 3.11Å; E56-S60 PolarHBondContact O-N 3.48Å; E56-S60 PolarHBondContact O-OG 3.03Å; I57-S60 PolarHBondContact O-N 3.45Å |
| 61 | R | 95.7 | Very high | 97 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -91.5 | 151.2 | 177 | -88.1 | 65.3 | -178.5 | 170.6 | -2.8 | 110.8 | E36 I57 Q65 L66 I69 S220 | E36-R61 IonicContact OE1-CZ 2.73Å; E36-R61 IonicContact OE1-NE 2.88Å; E36-R61 PolarHBondContact OE1-NE 3.06Å; E36-R61 IonicContact OE1-NH2 3.45Å; E36-R61 PolarHBondContact OE1-NH2 3.19Å; I57-R61 WeakPolarHBondContact O-CD 3.43Å; I57-R61 PolarHBondContact O-N 2.95Å; R61-Q65 HydrophobicContact CB-CB 4.04Å; R61-Q65 HydrophobicContact CG-CB 3.97Å; R61-L66 HydrophobicContact CB-CD2 3.75Å; R61-L66 HydrophobicContact CB-CG 3.88Å; R61-I69 HydrophobicContact CG-CD1 3.88Å; R61-S220 VanDerWaalsContact NH2-CB 3.27Å; R61-S220 PolarHBondContact NH2-OG 3.04Å; R61-S220 VanDerWaalsContact NH2-OG 3.08Å |
| 62 | T | 93.5 | Very high | 97 | Very high | 57 Ų | 57 | 31.3 Ų | 31.3 | 35% | 0.35 | 15% | 0.154 | S | C | . | . | trans | -77.1 | 159.9 | 170.6 | 62.2 | 0 | 0 | 0 | 0 | 111.2 | N64 Q65 L66 D106 | T62-N64 PolarHBondContact O-N 3.24Å; T62-Q65 WeakPolarHBondContact O-CB 3.25Å; T62-Q65 PolarHBondContact O-N 3.46Å; T62-Q65 VanDerWaalsContact OG1-CG 3.26Å; T62-Q65 WeakPolarHBondContact OG1-CG 2.98Å; T62-Q65 PolarHBondContact OG1-N 3.44Å; T62-Q65 PolarHBondContact OG1-OE1 3.38Å; T62-L66 WeakPolarHBondContact O-CG 3.48Å; T62-L66 PolarHBondContact O-N 3.02Å; T62-D106 VanDerWaalsContact C-OD2 3.27Å; T62-D106 WeakPolarHBondContact CA-OD2 3.27Å; T62-D106 VanDerWaalsContact CB-OD2 3.25Å; T62-D106 WeakPolarHBondContact CB-OD2 3.5Å | ||
| 63 | K | 91.6 | Very high | 97 | Very high | 53 Ų | 53 | 30.5 Ų | 30.5 | 23% | 0.23 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -50.6 | -42.3 | 174.8 | -178.1 | -177.4 | -179 | -173.4 | 0 | 112.8 | L66 R67 D106 D107 | K63-L66 PolarHBondContact O-N 2.95Å; K63-R67 PolarHBondContact O-N 3.01Å; K63-D106 HydrophobicContact CB-CB 4.23Å; K63-D106 PolarHBondContact N-OD2 2.88Å; K63-D107 IonicContact NZ-OD1 2.83Å; K63-D107 PolarHBondContact NZ-OD1 3.29Å; K63-D107 IonicContact NZ-OD2 2.66Å; K63-D107 PolarHBondContact NZ-OD2 3.18Å |
| 64 | N | 92.6 | Very high | 97 | Very high | 101 Ų | 101 | 35.7 Ų | 35.7 | 54% | 0.54 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -69 | -39.7 | 178.6 | -72.3 | -24.8 | 0 | 0 | 0 | 111.7 | T62 R67 E68 | T62-N64 PolarHBondContact O-N 3.24Å; N64-R67 PolarHBondContact O-N 3.39Å; N64-R67 PolarHBondContact OD1-NH1 3.12Å; N64-E68 PolarHBondContact O-N 2.88Å |
| 65 | Q | 95.8 | Very high | 97 | Very high | 31 Ų | 31 | 40.7 Ų | 40.7 | 15% | 0.145 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.8 | -43.5 | 174.4 | -67.9 | 168.4 | -52.7 | 0 | 0 | 111.3 | Y33 R61 T62 R67 E68 I69 | Y33-Q65 HydrophobicContact CE1-CB 4.17Å; Y33-Q65 HydrophobicContact CE1-CG 3.98Å; R61-Q65 HydrophobicContact CB-CB 4.04Å; R61-Q65 HydrophobicContact CG-CB 3.97Å; T62-Q65 WeakPolarHBondContact O-CB 3.25Å; T62-Q65 PolarHBondContact O-N 3.46Å; T62-Q65 VanDerWaalsContact OG1-CG 3.26Å; T62-Q65 WeakPolarHBondContact OG1-CG 2.98Å; T62-Q65 PolarHBondContact OG1-N 3.44Å; T62-Q65 PolarHBondContact OG1-OE1 3.38Å; Q65-R67 VanDerWaalsContact C-N 3.29Å; Q65-R67 PolarHBondContact O-N 3.31Å; Q65-E68 PolarHBondContact O-N 3.4Å; Q65-I69 VanDerWaalsContact O-CG1 3.27Å; Q65-I69 WeakPolarHBondContact O-CG1 3.4Å; Q65-I69 PolarHBondContact O-N 2.99Å |
| 66 | L | 96.8 | Very high | 97 | Very high | 8 Ų | 8 | 43.5 Ų | 43.5 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.3 | -39 | 176.9 | -69.7 | 177.2 | 0 | 0 | 0 | 111.9 | R61 T62 K63 E68 I69 M70 L100 | R61-L66 HydrophobicContact CB-CD2 3.75Å; R61-L66 HydrophobicContact CB-CG 3.88Å; T62-L66 WeakPolarHBondContact O-CG 3.48Å; T62-L66 PolarHBondContact O-N 3.02Å; K63-L66 PolarHBondContact O-N 2.95Å; L66-E68 PolarHBondContact O-N 3.49Å; L66-I69 HydrophobicContact CD2-CD1 4.42Å; L66-I69 PolarHBondContact O-N 2.69Å; L66-M70 WeakPolarHBondContact O-CB 3.48Å; L66-M70 VanDerWaalsContact O-CG 3.25Å; L66-M70 WeakPolarHBondContact O-CG 3.36Å; L66-M70 PolarHBondContact O-N 3.33Å; L66-L100 WeakPolarHBondContact CD1-O 3.28Å |
| 67 | R | 96.3 | Very high | 96.9 | Very high | 122 Ų | 122 | 46.8 Ų | 46.8 | 46% | 0.46 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.2 | -45.5 | 174.7 | -170.7 | -174.9 | -58.8 | 113.8 | 5.2 | 112.2 | K63 N64 Q65 M70 K71 | K63-R67 PolarHBondContact O-N 3.01Å; N64-R67 PolarHBondContact O-N 3.39Å; N64-R67 PolarHBondContact OD1-NH1 3.12Å; Q65-R67 VanDerWaalsContact C-N 3.29Å; Q65-R67 PolarHBondContact O-N 3.31Å; R67-M70 PolarHBondContact O-N 3.33Å; R67-K71 WeakPolarHBondContact O-CB 3.23Å; R67-K71 PolarHBondContact O-N 2.91Å |
| 68 | E | 97.8 | Very high | 96.9 | Very high | 74 Ų | 74 | 50.1 Ų | 50.1 | 35% | 0.346 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -69.3 | -34.6 | 178.3 | -62.3 | -56.1 | 127.9 | 0 | 0 | 112.1 | Y33 N64 Q65 L66 A72 | Y33-E68 HydrophobicContact CD1-CB 4.12Å; Y33-E68 HydrophobicContact CD2-CB 3.28Å; Y33-E68 HydrophobicContact CD2-CG 3.87Å; Y33-E68 HydrophobicContact CE1-CB 4.44Å; Y33-E68 HydrophobicContact CE2-CB 3.65Å; Y33-E68 HydrophobicContact CE2-CG 3.73Å; Y33-E68 HydrophobicContact CG-CB 3.53Å; N64-E68 PolarHBondContact O-N 2.88Å; Q65-E68 PolarHBondContact O-N 3.4Å; L66-E68 PolarHBondContact O-N 3.49Å; E68-A72 WeakPolarHBondContact O-CB 3.46Å; E68-A72 PolarHBondContact O-N 2.86Å |
| 69 | I | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.2 | -46.9 | 174.5 | -67.7 | 165.1 | 0 | 0 | 0 | 110.7 | Y33 E36 A37 L40 I57 R61 Q65 L66 K71 A72 Y73 L81 | Y33-I69 HydrophobicContact CD1-CG1 4.15Å; E36-I69 HydrophobicContact CB-CD1 3.83Å; E36-I69 HydrophobicContact CB-CG1 3.96Å; E36-I69 HydrophobicContact CB-CG2 4.45Å; E36-I69 HydrophobicContact CG-CD1 4.4Å; A37-I69 HydrophobicContact CB-CG2 4.44Å; L40-I69 HydrophobicContact CD1-CG2 3.63Å; I57-I69 HydrophobicContact CG2-CD1 4.24Å; R61-I69 HydrophobicContact CG-CD1 3.88Å; Q65-I69 VanDerWaalsContact O-CG1 3.27Å; Q65-I69 WeakPolarHBondContact O-CG1 3.4Å; Q65-I69 PolarHBondContact O-N 2.99Å; L66-I69 HydrophobicContact CD2-CD1 4.42Å; L66-I69 PolarHBondContact O-N 2.69Å; I69-K71 VanDerWaalsContact C-N 3.32Å; I69-K71 PolarHBondContact O-N 3.46Å; I69-A72 PolarHBondContact O-N 3.35Å; I69-Y73 WeakPolarHBondContact O-CB 3.32Å; I69-Y73 PolarHBondContact O-N 2.81Å; I69-L81 HydrophobicContact CG2-CD2 4.31Å |
| 70 | M | 98.3 | Very high | 96.8 | Very high | 56 Ų | 56 | 53 Ų | 53 | 28% | 0.276 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.1 | -44.7 | 177.4 | -72 | 169.7 | 70.4 | 0 | 0 | 111.2 | L66 R67 Y73 E74 L81 L101 | L66-M70 WeakPolarHBondContact O-CB 3.48Å; L66-M70 VanDerWaalsContact O-CG 3.25Å; L66-M70 WeakPolarHBondContact O-CG 3.36Å; L66-M70 PolarHBondContact O-N 3.33Å; R67-M70 PolarHBondContact O-N 3.33Å; M70-Y73 WeakPolarHBondContact O-CB 3.4Å; M70-Y73 PolarHBondContact O-N 3.04Å; M70-E74 PolarHBondContact O-N 3.32Å; M70-L81 HydrophobicContact CG-CD2 4.01Å; M70-L101 HydrophobicContact CG-CD2 4.34Å; M70-L101 HydrophobicContact SD-CD2 4.33Å |
| 71 | K | 98.3 | Very high | 96.9 | Very high | 110 Ų | 110 | 53 Ų | 53 | 48% | 0.478 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.3 | -48.1 | 175.9 | 179.9 | -177.4 | 169.3 | -171.6 | 0 | 111.8 | R67 I69 Y73 E74 E75 | R67-K71 WeakPolarHBondContact O-CB 3.23Å; R67-K71 PolarHBondContact O-N 2.91Å; I69-K71 VanDerWaalsContact C-N 3.32Å; I69-K71 PolarHBondContact O-N 3.46Å; K71-Y73 VanDerWaalsContact C-N 3.27Å; K71-Y73 PolarHBondContact O-N 3.46Å; K71-E74 PolarHBondContact O-N 3.11Å; K71-E75 WeakPolarHBondContact CE-OE1 3.49Å; K71-E75 WeakPolarHBondContact O-CB 3.43Å; K71-E75 WeakPolarHBondContact O-CG 3.4Å; K71-E75 PolarHBondContact O-N 3.34Å |
| 72 | A | 98.6 | Very high | 97 | Very high | 6 Ų | 6 | 54.8 Ų | 54.8 | 5% | 0.05 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.6 | -37.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R34 A37 E68 I69 D76 | R34-A72 HydrophobicContact CG-CB 3.75Å; A37-A72 HydrophobicContact CB-CB 4.07Å; E68-A72 WeakPolarHBondContact O-CB 3.46Å; E68-A72 PolarHBondContact O-N 2.86Å; I69-A72 PolarHBondContact O-N 3.35Å; A72-D76 WeakPolarHBondContact O-CB 3.46Å; A72-D76 PolarHBondContact O-N 3.4Å |
| 73 | Y | 98.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 57.8 Ų | 57.8 | 0% | 0.004 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.3 | -49.9 | 177.1 | -165.2 | -76.6 | 0 | 0 | 0 | 111.5 | A37 L40 H41 M44 I69 M70 K71 E75 D76 Y77 S79 L81 D84 | A37-Y73 HydrophobicContact CB-CD2 4.13Å; A37-Y73 WeakPolarHBondContact O-CD2 3.48Å; L40-Y73 HydrophobicContact CB-CD2 4.31Å; L40-Y73 HydrophobicContact CB-CE2 4.05Å; H41-Y73 HydrophobicContact CB-CE2 3.76Å; H41-Y73 PolarHBondContact ND1-OH 3.26Å; M44-Y73 HydrophobicContact CE-CE2 4.03Å; M44-Y73 WeakPolarHBondContact CE-OH 3.33Å; I69-Y73 WeakPolarHBondContact O-CB 3.32Å; I69-Y73 PolarHBondContact O-N 2.81Å; M70-Y73 WeakPolarHBondContact O-CB 3.4Å; M70-Y73 PolarHBondContact O-N 3.04Å; K71-Y73 VanDerWaalsContact C-N 3.27Å; K71-Y73 PolarHBondContact O-N 3.46Å; Y73-E75 VanDerWaalsContact C-N 3.35Å; Y73-E75 PolarHBondContact O-N 3.02Å; Y73-D76 PolarHBondContact O-N 3.5Å; Y73-Y77 AromaticContact CD1-CD2 3.89Å; Y73-Y77 HydrophobicContact CD1-CD2 3.89Å; Y73-Y77 AromaticContact CD2-CD2 3.81Å; Y73-Y77 HydrophobicContact CD2-CD2 3.81Å; Y73-Y77 HydrophobicContact CD2-CE2 4.09Å; Y73-Y77 AromaticContact CE1-CD2 3.93Å; Y73-Y77 HydrophobicContact CE1-CD2 3.93Å; Y73-Y77 HydrophobicContact CE1-CG 4.35Å; Y73-Y77 AromaticContact CE2-CD2 3.88Å; Y73-Y77 HydrophobicContact CE2-CD2 3.88Å; Y73-Y77 HydrophobicContact CE2-CE2 4.22Å; Y73-Y77 AromaticContact CG-CD2 3.81Å; Y73-Y77 HydrophobicContact CG-CD2 3.81Å; Y73-Y77 HydrophobicContact CG-CE2 4.43Å; Y73-Y77 AromaticContact CZ-CD2 3.91Å; Y73-Y77 WeakPolarHBondContact O-CB 3.46Å; Y73-Y77 VanDerWaalsContact O-CD2 3.31Å; Y73-Y77 WeakPolarHBondContact O-CD2 3.12Å; Y73-Y77 PolarHBondContact O-N 3.1Å; Y73-S79 WeakPolarHBondContact CD1-O 3.32Å; Y73-L81 HydrophobicContact CD1-CB 3.94Å; Y73-L81 HydrophobicContact CD2-CB 4.28Å; Y73-L81 HydrophobicContact CD2-CD1 3.81Å; Y73-L81 HydrophobicContact CD2-CG 4.47Å; Y73-L81 HydrophobicContact CE1-CB 4.44Å; Y73-L81 HydrophobicContact CE2-CD1 3.74Å; Y73-L81 HydrophobicContact CG-CB 3.88Å; Y73-L81 HydrophobicContact CG-CD1 4.29Å; Y73-D84 WeakPolarHBondContact CE1-OD2 3.43Å; Y73-D84 PolarHBondContact OH-OD2 2.65Å |
| 74 | E | 98.4 | Very high | 97.5 | Very high | 124 Ų | 124 | 57.4 Ų | 57.4 | 58% | 0.579 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.1 | -41.1 | 178.8 | -170.7 | 179.1 | -177.3 | 0 | 0 | 111.6 | M70 K71 D76 G78 S79 | M70-E74 PolarHBondContact O-N 3.32Å; K71-E74 PolarHBondContact O-N 3.11Å; E74-D76 PolarHBondContact O-N 3.32Å; E74-G78 WeakPolarHBondContact O-CA 3.34Å; E74-G78 PolarHBondContact O-N 3.48Å; E74-S79 WeakPolarHBondContact CA-O 3.3Å |
| 75 | E | 98.3 | Very high | 97.8 | Very high | 105 Ų | 105 | 52.6 Ų | 52.6 | 49% | 0.491 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61 | -39.8 | 175.8 | -75.9 | 176.3 | -175.9 | 0 | 0 | 113.1 | R34 K71 Y73 | R34-E75 IonicContact CZ-OE2 3.26Å; R34-E75 IonicContact NH2-OE2 2.89Å; R34-E75 PolarHBondContact NH2-OE2 3.34Å; K71-E75 WeakPolarHBondContact CE-OE1 3.49Å; K71-E75 WeakPolarHBondContact O-CB 3.43Å; K71-E75 WeakPolarHBondContact O-CG 3.4Å; K71-E75 PolarHBondContact O-N 3.34Å; Y73-E75 VanDerWaalsContact C-N 3.35Å; Y73-E75 PolarHBondContact O-N 3.02Å |
| 76 | D | 97.8 | Very high | 97.9 | Very high | 60 Ų | 60 | 54.9 Ų | 54.9 | 32% | 0.321 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -92.4 | -26.9 | -171.8 | -73.5 | -11.2 | 0 | 0 | 0 | 113.8 | R34 A72 Y73 E74 | R34-D76 IonicContact CZ-OD1 2.88Å; R34-D76 VanDerWaalsContact CZ-OD1 3.29Å; R34-D76 IonicContact CZ-OD2 3.96Å; R34-D76 IonicContact NH1-OD1 3.23Å; R34-D76 PolarHBondContact NH1-OD1 3.2Å; R34-D76 IonicContact NH1-OD2 2.73Å; R34-D76 PolarHBondContact NH1-OD2 3.46Å; R34-D76 IonicContact NH2-OD1 2.73Å; R34-D76 PolarHBondContact NH2-OD1 3.26Å; A72-D76 WeakPolarHBondContact O-CB 3.46Å; A72-D76 PolarHBondContact O-N 3.4Å; Y73-D76 PolarHBondContact O-N 3.5Å; E74-D76 PolarHBondContact O-N 3.32Å |
| 77 | Y | 97.8 | Very high | 97.9 | Very high | 68 Ų | 68 | 58.6 Ų | 58.6 | 27% | 0.267 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -118 | -13.8 | -173.7 | -55.2 | -60 | 0 | 0 | 0 | 114.2 | A37 K38 H41 Y73 S79 | A37-Y77 HydrophobicContact CB-CE2 4.4Å; K38-Y77 WeakPolarHBondContact CA-OH 3.42Å; K38-Y77 WeakPolarHBondContact CB-OH 3.39Å; H41-Y77 HydrophobicContact CB-CD1 4.32Å; H41-Y77 HydrophobicContact CB-CD2 3.91Å; H41-Y77 HydrophobicContact CB-CE1 3.96Å; H41-Y77 HydrophobicContact CB-CE2 3.5Å; H41-Y77 VanDerWaalsContact CB-CE2 3.5Å; H41-Y77 HydrophobicContact CB-CG 4.31Å; H41-Y77 AromaticContact CD2-CD1 3.83Å; H41-Y77 AromaticContact CD2-CE1 3.47Å; H41-Y77 VanDerWaalsContact CD2-CE1 3.47Å; H41-Y77 WeakPolarHBondContact CD2-CE1 3.43Å; H41-Y77 AromaticContact CD2-CZ 3.91Å; H41-Y77 AromaticContact CE1-CD1 3.68Å; H41-Y77 AromaticContact CG-CD1 3.64Å; H41-Y77 AromaticContact CG-CE1 3.51Å; H41-Y77 AromaticContact CG-CE2 3.91Å; H41-Y77 AromaticContact CG-CG 3.93Å; H41-Y77 AromaticContact CG-CZ 3.66Å; H41-Y77 AromaticContact ND1-CD1 3.55Å; H41-Y77 AromaticContact ND1-CE1 3.93Å; H41-Y77 AromaticContact ND1-CG 3.65Å; H41-Y77 AromaticContact NE2-CD1 3.88Å; H41-Y77 AromaticContact NE2-CE1 3.91Å; Y73-Y77 AromaticContact CD1-CD2 3.89Å; Y73-Y77 HydrophobicContact CD1-CD2 3.89Å; Y73-Y77 AromaticContact CD2-CD2 3.81Å; Y73-Y77 HydrophobicContact CD2-CD2 3.81Å; Y73-Y77 HydrophobicContact CD2-CE2 4.09Å; Y73-Y77 AromaticContact CE1-CD2 3.93Å; Y73-Y77 HydrophobicContact CE1-CD2 3.93Å; Y73-Y77 HydrophobicContact CE1-CG 4.35Å; Y73-Y77 AromaticContact CE2-CD2 3.88Å; Y73-Y77 HydrophobicContact CE2-CD2 3.88Å; Y73-Y77 HydrophobicContact CE2-CE2 4.22Å; Y73-Y77 AromaticContact CG-CD2 3.81Å; Y73-Y77 HydrophobicContact CG-CD2 3.81Å; Y73-Y77 HydrophobicContact CG-CE2 4.43Å; Y73-Y77 AromaticContact CZ-CD2 3.91Å; Y73-Y77 WeakPolarHBondContact O-CB 3.46Å; Y73-Y77 VanDerWaalsContact O-CD2 3.31Å; Y73-Y77 WeakPolarHBondContact O-CD2 3.12Å; Y73-Y77 PolarHBondContact O-N 3.1Å; Y77-S79 PolarHBondContact O-N 3.21Å |
| 78 | G | 97.2 | Very high | 97.9 | Very high | 70 Ų | 70 | 55.3 Ų | 55.3 | 72% | 0.722 | 30% | 0.302 | S | S | * | . | S | Bend | trans | 69.6 | 15.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | E74 | E74-G78 WeakPolarHBondContact O-CA 3.34Å; E74-G78 PolarHBondContact O-N 3.48Å |
| 79 | S | 96.6 | Very high | 97.8 | Very high | 28 Ų | 28 | 52.3 Ų | 52.3 | 20% | 0.196 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -128.9 | 155.8 | 174.3 | 53.5 | 0 | 0 | 0 | 0 | 110.3 | Y73 E74 Y77 D84 | Y73-S79 WeakPolarHBondContact CD1-O 3.32Å; E74-S79 WeakPolarHBondContact CA-O 3.3Å; Y77-S79 PolarHBondContact O-N 3.21Å; S79-D84 WeakPolarHBondContact CB-OD2 3.49Å; S79-D84 PolarHBondContact OG-OD2 2.83Å |
| 80 | S | 97.9 | Very high | 97.7 | Very high | 34 Ų | 34 | 56.7 Ų | 56.7 | 24% | 0.238 | 32% | 0.319 | C | S | . | . | trans | -74.1 | 131.9 | 172 | 171.4 | 0 | 0 | 0 | 0 | 110.1 | E82 E83 D84 | S80-E82 PolarHBondContact O-N 2.96Å; S80-E82 PolarHBondContact OG-N 3.02Å; S80-E83 PolarHBondContact O-N 2.64Å; S80-E83 VanDerWaalsContact O-N 3.15Å; S80-D84 PolarHBondContact O-N 3.31Å | ||
| 81 | L | 98.3 | Very high | 97.6 | Very high | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -56.8 | -34.9 | 172.9 | 174.2 | 60.7 | 0 | 0 | 0 | 112 | L40 M44 I69 M70 Y73 I85 L101 | L40-L81 HydrophobicContact CB-CD1 4.12Å; L40-L81 HydrophobicContact CD1-CD1 3.95Å; L40-L81 HydrophobicContact CD1-CD2 3.67Å; L40-L81 HydrophobicContact CD1-CG 4.49Å; L40-L81 HydrophobicContact CG-CD1 4.48Å; M44-L81 HydrophobicContact CE-CD1 3.8Å; I69-L81 HydrophobicContact CG2-CD2 4.31Å; M70-L81 HydrophobicContact CG-CD2 4.01Å; Y73-L81 HydrophobicContact CD1-CB 3.94Å; Y73-L81 HydrophobicContact CD2-CB 4.28Å; Y73-L81 HydrophobicContact CD2-CD1 3.81Å; Y73-L81 HydrophobicContact CD2-CG 4.47Å; Y73-L81 HydrophobicContact CE1-CB 4.44Å; Y73-L81 HydrophobicContact CE2-CD1 3.74Å; Y73-L81 HydrophobicContact CG-CB 3.88Å; Y73-L81 HydrophobicContact CG-CD1 4.29Å; L81-I85 HydrophobicContact CD1-CD1 3.82Å; L81-I85 HydrophobicContact CD1-CG1 4.24Å; L81-I85 HydrophobicContact CG-CD1 3.99Å; L81-I85 WeakPolarHBondContact O-CB 3.43Å; L81-I85 WeakPolarHBondContact O-CG1 3.31Å; L81-I85 PolarHBondContact O-N 2.98Å; L81-I85 VanDerWaalsContact O-N 3.07Å; L81-L101 HydrophobicContact CD2-CD2 3.84Å; L81-L101 HydrophobicContact CG-CD1 4.48Å; L81-L101 HydrophobicContact CG-CD2 4.41Å |
| 82 | E | 98 | Very high | 97.6 | Very high | 40 Ų | 40 | 54.7 Ų | 54.7 | 19% | 0.187 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.8 | -43.8 | 178.1 | -172 | -176.1 | 148.5 | 0 | 0 | 111.5 | S80 I85 Q86 V98 L101 Q102 | S80-E82 PolarHBondContact O-N 2.96Å; S80-E82 PolarHBondContact OG-N 3.02Å; E82-I85 PolarHBondContact O-N 3Å; E82-Q86 WeakPolarHBondContact O-CG 3.36Å; E82-Q86 PolarHBondContact O-N 3.43Å; E82-Q86 PolarHBondContact OE1-NE2 3.42Å; E82-Q86 VanDerWaalsContact OE1-NE2 3.08Å; E82-V98 HydrophobicContact CG-CG1 4.19Å; E82-V98 HydrophobicContact CG-CG2 4.3Å; E82-L101 HydrophobicContact CB-CD1 4.26Å; E82-L101 HydrophobicContact CG-CD1 4.44Å; E82-Q102 PolarHBondContact OE1-NE2 2.75Å; E82-Q102 PolarHBondContact OE2-NE2 2.98Å |
| 83 | E | 97.8 | Very high | 97.5 | Very high | 121 Ų | 121 | 55 Ų | 55 | 57% | 0.565 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -64.5 | -41.8 | 179 | -68.4 | 176 | 175 | 0 | 0 | 111 | S80 I85 Q86 A87 | S80-E83 PolarHBondContact O-N 2.64Å; S80-E83 VanDerWaalsContact O-N 3.15Å; E83-I85 VanDerWaalsContact C-N 3.34Å; E83-I85 PolarHBondContact O-N 3.36Å; E83-Q86 PolarHBondContact O-N 3.44Å; E83-A87 WeakPolarHBondContact O-CB 3.46Å; E83-A87 PolarHBondContact O-N 3.07Å |
| 84 | D | 98.2 | Very high | 97.5 | Very high | 44 Ų | 44 | 57.6 Ų | 57.6 | 24% | 0.235 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.3 | -36.6 | 177.5 | -74.4 | -10 | 0 | 0 | 0 | 111.6 | M44 Y73 S79 S80 A87 D88 | M44-D84 HydrophobicContact CE-CB 3.96Å; M44-D84 HydrophobicContact SD-CB 4.17Å; Y73-D84 WeakPolarHBondContact CE1-OD2 3.43Å; Y73-D84 PolarHBondContact OH-OD2 2.65Å; S79-D84 WeakPolarHBondContact CB-OD2 3.49Å; S79-D84 PolarHBondContact OG-OD2 2.83Å; S80-D84 PolarHBondContact O-N 3.31Å; D84-A87 PolarHBondContact O-N 3.15Å; D84-D88 VanDerWaalsContact O-CB 3.3Å; D84-D88 WeakPolarHBondContact O-CB 3.28Å; D84-D88 PolarHBondContact O-N 3.45Å |
| 85 | I | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.9 | -42.2 | 172.8 | -76.1 | 168.5 | 0 | 0 | 0 | 111.3 | M44 I54 L58 L81 E82 E83 A87 D88 T89 L97 V98 L101 | M44-I85 HydrophobicContact CE-CG1 4.41Å; M44-I85 HydrophobicContact SD-CG1 3.76Å; I54-I85 HydrophobicContact CG2-CD1 3.95Å; I54-I85 HydrophobicContact CG2-CG1 4.27Å; L58-I85 HydrophobicContact CD2-CD1 3.84Å; L81-I85 HydrophobicContact CD1-CD1 3.82Å; L81-I85 HydrophobicContact CD1-CG1 4.24Å; L81-I85 HydrophobicContact CG-CD1 3.99Å; L81-I85 WeakPolarHBondContact O-CB 3.43Å; L81-I85 WeakPolarHBondContact O-CG1 3.31Å; L81-I85 PolarHBondContact O-N 2.98Å; L81-I85 VanDerWaalsContact O-N 3.07Å; E82-I85 PolarHBondContact O-N 3Å; E83-I85 VanDerWaalsContact C-N 3.34Å; E83-I85 PolarHBondContact O-N 3.36Å; I85-A87 VanDerWaalsContact C-N 3.28Å; I85-A87 PolarHBondContact O-N 2.9Å; I85-D88 PolarHBondContact O-N 3.07Å; I85-T89 WeakPolarHBondContact O-CB 3.47Å; I85-T89 PolarHBondContact O-N 3.47Å; I85-T89 PolarHBondContact O-OG1 3.39Å; I85-L97 HydrophobicContact CG2-CB 3.86Å; I85-L97 HydrophobicContact CG2-CD1 4.25Å; I85-V98 HydrophobicContact CG2-CG2 4.3Å; I85-L101 HydrophobicContact CD1-CD1 3.56Å; I85-L101 HydrophobicContact CD1-CG 4.49Å |
| 86 | Q | 97.6 | Very high | 97.4 | Very high | 79 Ų | 79 | 52.5 Ų | 52.5 | 37% | 0.369 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.4 | -31.5 | 176.4 | -74.5 | 171.1 | -7 | 0 | 0 | 112.5 | E82 E83 E94 V98 | E82-Q86 WeakPolarHBondContact O-CG 3.36Å; E82-Q86 PolarHBondContact O-N 3.43Å; E82-Q86 PolarHBondContact OE1-NE2 3.42Å; E82-Q86 VanDerWaalsContact OE1-NE2 3.08Å; E83-Q86 PolarHBondContact O-N 3.44Å; Q86-E94 HydrophobicContact CG-CG 4.44Å; Q86-V98 HydrophobicContact CG-CG2 3.73Å |
| 87 | A | 96.7 | Very high | 97.4 | Very high | 87 Ų | 87 | 49.7 Ų | 49.7 | 72% | 0.719 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -77.7 | -33.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | E83 D84 I85 | E83-A87 WeakPolarHBondContact O-CB 3.46Å; E83-A87 PolarHBondContact O-N 3.07Å; D84-A87 PolarHBondContact O-N 3.15Å; I85-A87 VanDerWaalsContact C-N 3.28Å; I85-A87 PolarHBondContact O-N 2.9Å |
| 88 | D | 96.2 | Very high | 97.4 | Very high | 53 Ų | 53 | 47.2 Ų | 47.2 | 28% | 0.283 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -101.4 | -9.3 | -171.6 | -153.3 | 53.3 | 0 | 0 | 0 | 113.8 | M44 T49 D84 I85 | M44-D88 WeakPolarHBondContact CA-OD2 3.32Å; M44-D88 HydrophobicContact CB-CB 4.34Å; M44-D88 HydrophobicContact CG-CB 4.25Å; M44-D88 HydrophobicContact SD-CB 4.42Å; T49-D88 VanDerWaalsContact CB-OD2 3.24Å; T49-D88 WeakPolarHBondContact CB-OD2 3.45Å; T49-D88 WeakPolarHBondContact CG2-OD2 3.33Å; T49-D88 PolarHBondContact OG1-O 3.29Å; T49-D88 PolarHBondContact OG1-OD2 3.01Å; D84-D88 VanDerWaalsContact O-CB 3.3Å; D84-D88 WeakPolarHBondContact O-CB 3.28Å; D84-D88 PolarHBondContact O-N 3.45Å; I85-D88 PolarHBondContact O-N 3.07Å |
| 89 | T | 96.8 | Very high | 97.3 | Very high | 11 Ų | 11 | 45.2 Ų | 45.2 | 7% | 0.067 | 26% | 0.255 | C | S | . | . | trans | -123.9 | 166.4 | 175.9 | 68.8 | 0 | 0 | 0 | 0 | 111.6 | T49 I85 L93 E94 L97 | T49-T89 HydrophobicContact CG2-CG2 4.45Å; I85-T89 WeakPolarHBondContact O-CB 3.47Å; I85-T89 PolarHBondContact O-N 3.47Å; I85-T89 PolarHBondContact O-OG1 3.39Å; T89-L93 HydrophobicContact CG2-CD2 4.42Å; T89-E94 VanDerWaalsContact OG1-CA 3.28Å; T89-E94 WeakPolarHBondContact OG1-CA 3.25Å; T89-E94 WeakPolarHBondContact OG1-CB 3.21Å; T89-L97 HydrophobicContact CG2-CD1 4.01Å | ||
| 90 | S | 96.3 | Very high | 97.2 | Very high | 91 Ų | 91 | 44.4 Ų | 44.4 | 64% | 0.636 | 25% | 0.248 | S | C | * | . | trans | -148.3 | 169.3 | 177.3 | 63.5 | 0 | 0 | 0 | 0 | 112.7 | E94 | S90-E94 WeakPolarHBondContact CA-OE2 3.32Å; S90-E94 PolarHBondContact O-N 3.05Å | ||
| 91 | G | 96.8 | Very high | 97 | Very high | 45 Ų | 45 | 43.4 Ų | 43.4 | 46% | 0.464 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | 67.2 | -142.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L93 R95 | G91-L93 VanDerWaalsContact C-N 3.35Å; G91-R95 WeakPolarHBondContact O-CG 3.43Å; G91-R95 PolarHBondContact O-N 3.01Å |
| 92 | Y | 96.9 | Very high | 96.5 | Very high | 79 Ų | 79 | 49.2 Ų | 49.2 | 31% | 0.31 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -75.6 | -23 | -178 | -71.9 | -57.2 | 0 | 0 | 0 | 114 | R95 I96 E136 M137 I140 L178 | Y92-R95 PolarHBondContact O-N 2.79Å; Y92-I96 PolarHBondContact O-N 2.92Å; Y92-E136 HydrophobicContact CD1-CB 3.99Å; Y92-E136 HydrophobicContact CD2-CB 3.87Å; Y92-E136 HydrophobicContact CD2-CG 3.88Å; Y92-E136 HydrophobicContact CE1-CB 4.03Å; Y92-E136 HydrophobicContact CE2-CB 3.85Å; Y92-E136 HydrophobicContact CE2-CG 3.8Å; Y92-E136 WeakPolarHBondContact CE2-OE2 3.3Å; Y92-E136 HydrophobicContact CG-CB 3.92Å; Y92-E136 HydrophobicContact CG-CG 4.4Å; Y92-E136 PolarHBondContact OH-OE2 3.38Å; Y92-M137 HydrophobicContact CD1-CG 4.49Å; Y92-M137 HydrophobicContact CD1-SD 3.95Å; Y92-M137 HydrophobicContact CE1-CG 3.74Å; Y92-M137 HydrophobicContact CE1-SD 3.73Å; Y92-I140 HydrophobicContact CD1-CD1 3.95Å; Y92-I140 HydrophobicContact CG-CD1 4.43Å; Y92-L178 HydrophobicContact CD2-CD2 4.34Å; Y92-L178 HydrophobicContact CG-CD2 4.29Å |
| 93 | L | 97.8 | Very high | 95.2 | Very high | 12 Ų | 12 | 48 Ų | 48 | 6% | 0.063 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.8 | -48.7 | 173.1 | 178.6 | 64.8 | 0 | 0 | 0 | 110.4 | E51 I55 T89 G91 R95 I96 L97 A181 | E51-L93 HydrophobicContact CB-CD2 4.16Å; E51-L93 HydrophobicContact CG-CD2 3.81Å; E51-L93 VanDerWaalsContact OE1-CD2 3.22Å; E51-L93 WeakPolarHBondContact OE1-CD2 3.28Å; I55-L93 HydrophobicContact CD1-CD1 3.99Å; I55-L93 HydrophobicContact CG1-CD1 4.16Å; T89-L93 HydrophobicContact CG2-CD2 4.42Å; G91-L93 VanDerWaalsContact C-N 3.35Å; L93-R95 VanDerWaalsContact C-N 3.27Å; L93-R95 PolarHBondContact O-N 3.48Å; L93-I96 HydrophobicContact CD1-CG2 4.27Å; L93-I96 WeakPolarHBondContact O-CG2 3.07Å; L93-I96 PolarHBondContact O-N 3.27Å; L93-L97 HydrophobicContact CD1-CD1 3.94Å; L93-L97 HydrophobicContact CD1-CD2 4.46Å; L93-L97 HydrophobicContact CD1-CG 4.05Å; L93-L97 HydrophobicContact CD2-CD1 4.46Å; L93-L97 HydrophobicContact CG-CD1 3.84Å; L93-L97 HydrophobicContact CG-CG 4.34Å; L93-L97 VanDerWaalsContact O-CG 3.25Å; L93-L97 WeakPolarHBondContact O-CG 3.27Å; L93-L97 PolarHBondContact O-N 3.49Å; L93-A181 HydrophobicContact CD1-CB 4.17Å |
| 94 | E | 98.1 | Very high | 93.7 | Very high | 56 Ų | 56 | 44.6 Ų | 44.6 | 26% | 0.262 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -52.8 | -48.6 | 175 | -175.1 | -154.5 | 129.4 | 0 | 0 | 110.9 | Q86 T89 S90 I96 L97 V98 | Q86-E94 HydrophobicContact CG-CG 4.44Å; T89-E94 VanDerWaalsContact OG1-CA 3.28Å; T89-E94 WeakPolarHBondContact OG1-CA 3.25Å; T89-E94 WeakPolarHBondContact OG1-CB 3.21Å; S90-E94 WeakPolarHBondContact CA-OE2 3.32Å; S90-E94 PolarHBondContact O-N 3.05Å; E94-I96 PolarHBondContact O-N 2.75Å; E94-L97 PolarHBondContact O-N 3.12Å; E94-V98 WeakPolarHBondContact O-CB 3.5Å; E94-V98 WeakPolarHBondContact O-CG2 3.36Å; E94-V98 PolarHBondContact O-N 2.84Å |
| 95 | R | 97.2 | Very high | 92.2 | Very high | 123 Ų | 123 | 43.8 Ų | 43.8 | 46% | 0.464 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.9 | -43.2 | -178.1 | -66.7 | -176 | -175.5 | -171.8 | 1 | 113.2 | G91 Y92 L93 C99 M137 I140 | G91-R95 WeakPolarHBondContact O-CG 3.43Å; G91-R95 PolarHBondContact O-N 3.01Å; Y92-R95 PolarHBondContact O-N 2.79Å; L93-R95 VanDerWaalsContact C-N 3.27Å; L93-R95 PolarHBondContact O-N 3.48Å; R95-C99 WeakPolarHBondContact O-CB 3.5Å; R95-C99 PolarHBondContact O-N 3.19Å; R95-M137 WeakPolarHBondContact CD-SD 3.3Å; R95-M137 PolarHBondContact NH1-SD 2.84Å; R95-I140 HydrophobicContact CB-CD1 4.2Å |
| 96 | I | 97.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.3 | -38.8 | 178.7 | -164.8 | 172.7 | 0 | 0 | 0 | 111.4 | Y92 L93 E94 C99 L100 I140 C144 L178 A181 M182 | Y92-I96 PolarHBondContact O-N 2.92Å; L93-I96 HydrophobicContact CD1-CG2 4.27Å; L93-I96 WeakPolarHBondContact O-CG2 3.07Å; L93-I96 PolarHBondContact O-N 3.27Å; E94-I96 PolarHBondContact O-N 2.75Å; I96-C99 PolarHBondContact O-N 2.9Å; I96-L100 HydrophobicContact CG1-CD1 4.45Å; I96-L100 VanDerWaalsContact O-CG 3.31Å; I96-L100 WeakPolarHBondContact O-CG 3.26Å; I96-L100 PolarHBondContact O-N 3.45Å; I96-I140 HydrophobicContact CB-CD1 4.18Å; I96-I140 HydrophobicContact CB-CG1 3.97Å; I96-I140 HydrophobicContact CB-CG2 4.13Å; I96-I140 HydrophobicContact CD1-CG1 4.35Å; I96-I140 HydrophobicContact CG1-CG1 4.24Å; I96-I140 HydrophobicContact CG1-CG2 4.25Å; I96-C144 VanDerWaalsContact CG1-SG 3.58Å; I96-L178 HydrophobicContact CG2-CD1 4.18Å; I96-A181 HydrophobicContact CD1-CB 4.05Å; I96-A181 HydrophobicContact CG2-CB 3.79Å; I96-M182 HydrophobicContact CD1-CG 3.9Å |
| 97 | L | 98.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.7 | -46.9 | 179 | -64.7 | 176.2 | 0 | 0 | 0 | 111.6 | I54 I55 L58 I85 T89 L93 E94 C99 L100 L101 | I54-L97 HydrophobicContact CG2-CD1 3.93Å; I54-L97 HydrophobicContact CG2-CD2 4.12Å; I55-L97 HydrophobicContact CG1-CD2 4.01Å; L58-L97 HydrophobicContact CD2-CB 3.95Å; L58-L97 HydrophobicContact CD2-CD2 4.01Å; L58-L97 WeakPolarHBondContact CD2-O 3.49Å; I85-L97 HydrophobicContact CG2-CB 3.86Å; I85-L97 HydrophobicContact CG2-CD1 4.25Å; T89-L97 HydrophobicContact CG2-CD1 4.01Å; L93-L97 HydrophobicContact CD1-CD1 3.94Å; L93-L97 HydrophobicContact CD1-CD2 4.46Å; L93-L97 HydrophobicContact CD1-CG 4.05Å; L93-L97 HydrophobicContact CD2-CD1 4.46Å; L93-L97 HydrophobicContact CG-CD1 3.84Å; L93-L97 HydrophobicContact CG-CG 4.34Å; L93-L97 VanDerWaalsContact O-CG 3.25Å; L93-L97 WeakPolarHBondContact O-CG 3.27Å; L93-L97 PolarHBondContact O-N 3.49Å; E94-L97 PolarHBondContact O-N 3.12Å; L97-C99 VanDerWaalsContact C-N 3.29Å; L97-C99 PolarHBondContact O-N 3.36Å; L97-L100 PolarHBondContact O-N 2.79Å; L97-L101 PolarHBondContact O-N 2.93Å; L97-L101 VanDerWaalsContact O-N 3.13Å |
| 98 | V | 96.9 | Very high | 87.2 | Confident | 16 Ų | 16 | 48 Ų | 48 | 10% | 0.097 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.3 | -41.7 | 174.1 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | E82 I85 Q86 E94 L100 L101 Q102 | E82-V98 HydrophobicContact CG-CG1 4.19Å; E82-V98 HydrophobicContact CG-CG2 4.3Å; I85-V98 HydrophobicContact CG2-CG2 4.3Å; Q86-V98 HydrophobicContact CG-CG2 3.73Å; E94-V98 WeakPolarHBondContact O-CB 3.5Å; E94-V98 WeakPolarHBondContact O-CG2 3.36Å; E94-V98 PolarHBondContact O-N 2.84Å; V98-L100 VanDerWaalsContact C-N 3.33Å; V98-L100 PolarHBondContact O-N 3.21Å; V98-L101 PolarHBondContact O-N 3.01Å; V98-Q102 HydrophobicContact CG1-CG 4.36Å; V98-Q102 WeakPolarHBondContact O-CG 3.46Å; V98-Q102 PolarHBondContact O-N 3.07Å |
| 99 | C | 95.1 | Very high | 85.6 | Confident | 28 Ų | 28 | 49 Ų | 49 | 19% | 0.189 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65 | -34.6 | 178.2 | -162.4 | 0 | 0 | 0 | 0 | 112.8 | R95 I96 L97 G103 I140 C144 | R95-C99 WeakPolarHBondContact O-CB 3.5Å; R95-C99 PolarHBondContact O-N 3.19Å; I96-C99 PolarHBondContact O-N 2.9Å; L97-C99 VanDerWaalsContact C-N 3.29Å; L97-C99 PolarHBondContact O-N 3.36Å; C99-G103 WeakPolarHBondContact O-CA 3.47Å; C99-G103 PolarHBondContact O-N 3.45Å; C99-I140 HydrophobicContact CB-CG2 4.18Å; C99-C144 HydrophobicContact CB-CB 3.87Å; C99-C144 WeakPolarHBondContact SG-CB 3.44Å |
| 100 | L | 94.9 | Very high | 84.1 | Confident | 11 Ų | 11 | 53.9 Ų | 53.9 | 6% | 0.058 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.5 | -35.9 | 174.3 | -72.8 | 169.3 | 0 | 0 | 0 | 112.6 | L58 A59 L66 I96 L97 V98 C144 V185 | L58-L100 HydrophobicContact CB-CB 4.17Å; L58-L100 HydrophobicContact CB-CD1 4.2Å; A59-L100 HydrophobicContact CB-CD1 4.2Å; L66-L100 WeakPolarHBondContact CD1-O 3.28Å; I96-L100 HydrophobicContact CG1-CD1 4.45Å; I96-L100 VanDerWaalsContact O-CG 3.31Å; I96-L100 WeakPolarHBondContact O-CG 3.26Å; I96-L100 PolarHBondContact O-N 3.45Å; L97-L100 PolarHBondContact O-N 2.79Å; V98-L100 VanDerWaalsContact C-N 3.33Å; V98-L100 PolarHBondContact O-N 3.21Å; L100-C144 HydrophobicContact CD2-CB 4.38Å; L100-V185 HydrophobicContact CD1-CG2 4.01Å; L100-V185 HydrophobicContact CD2-CG2 3.91Å |
| 101 | L | 93.3 | Very high | 83.4 | Confident | 14 Ų | 14 | 57 Ų | 57 | 7% | 0.073 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.5 | -44.4 | 175.3 | -69.4 | 167.8 | 0 | 0 | 0 | 112.3 | L58 M70 L81 E82 I85 L97 V98 | L58-L101 HydrophobicContact CD1-CD2 4.15Å; L58-L101 HydrophobicContact CD2-CD1 4.12Å; L58-L101 HydrophobicContact CD2-CD2 3.89Å; L58-L101 HydrophobicContact CD2-CG 3.68Å; L58-L101 HydrophobicContact CG-CD2 3.81Å; L58-L101 HydrophobicContact CG-CG 4.11Å; M70-L101 HydrophobicContact CG-CD2 4.34Å; M70-L101 HydrophobicContact SD-CD2 4.33Å; L81-L101 HydrophobicContact CD2-CD2 3.84Å; L81-L101 HydrophobicContact CG-CD1 4.48Å; L81-L101 HydrophobicContact CG-CD2 4.41Å; E82-L101 HydrophobicContact CB-CD1 4.26Å; E82-L101 HydrophobicContact CG-CD1 4.44Å; I85-L101 HydrophobicContact CD1-CD1 3.56Å; I85-L101 HydrophobicContact CD1-CG 4.49Å; L97-L101 PolarHBondContact O-N 2.93Å; L97-L101 VanDerWaalsContact O-N 3.13Å; V98-L101 PolarHBondContact O-N 3.01Å |
| 102 | Q | 88.1 | Confident | 83 | Confident | 124 Ų | 124 | 56.8 Ų | 56.8 | 58% | 0.579 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -83.5 | -19.7 | -176.7 | -65.1 | 180 | -13.7 | 0 | 0 | 113.1 | E82 V98 | E82-Q102 PolarHBondContact OE1-NE2 2.75Å; E82-Q102 PolarHBondContact OE2-NE2 2.98Å; V98-Q102 HydrophobicContact CG1-CG 4.36Å; V98-Q102 WeakPolarHBondContact O-CG 3.46Å; V98-Q102 PolarHBondContact O-N 3.07Å |
| 103 | G | 71.3 | Confident | 82.9 | Confident | 13 Ų | 13 | 56.5 Ų | 56.5 | 13% | 0.134 | 31% | 0.307 | C | S | . | . | trans | -66 | 153.1 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | C99 | C99-G103 WeakPolarHBondContact O-CA 3.47Å; C99-G103 PolarHBondContact O-N 3.45Å | ||
| 104 | S | 65.9 | Low | 82.8 | Confident | 50 Ų | 50 | 59.6 Ų | 59.6 | 35% | 0.35 | 33% | 0.328 | S | S | . | . | trans | -99.2 | 28.7 | 178.8 | 57.4 | 0 | 0 | 0 | 0 | 113.1 | D106 D107 | S104-D106 PolarHBondContact O-N 3.04Å; S104-D107 WeakPolarHBondContact CB-OD2 3.33Å; S104-D107 PolarHBondContact O-N 3.28Å | ||
| 105 | R | 67.4 | Low | 82.7 | Confident | 27 Ų | 27 | 60.2 Ų | 60.2 | 10% | 0.102 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -19.2 | -168.8 | -142.2 | -173.5 | 59.8 | -163.3 | -6.7 | 114.8 | A59 R146 S147 | A59-R105 PolarHBondContact O-NH1 3.37Å; A59-R105 PolarHBondContact O-NH2 2.74Å; R105-R146 WeakPolarHBondContact CG-O 3.26Å; R105-S147 VanDerWaalsContact O-CA 3.31Å; R105-S147 WeakPolarHBondContact O-CA 3.22Å |
| 106 | D | 63.3 | Low | 82.7 | Confident | 49 Ų | 49 | 57.5 Ų | 57.5 | 26% | 0.262 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | 11.2 | -177.8 | -55.4 | -46.4 | 0 | 0 | 0 | 115 | T62 K63 S104 V108 | T62-D106 VanDerWaalsContact C-OD2 3.27Å; T62-D106 WeakPolarHBondContact CA-OD2 3.27Å; T62-D106 VanDerWaalsContact CB-OD2 3.25Å; T62-D106 WeakPolarHBondContact CB-OD2 3.5Å; K63-D106 HydrophobicContact CB-CB 4.23Å; K63-D106 PolarHBondContact N-OD2 2.88Å; S104-D106 PolarHBondContact O-N 3.04Å; D106-V108 WeakPolarHBondContact O-CG2 3.43Å; D106-V108 PolarHBondContact O-N 2.8Å |
| 107 | D | 61.7 | Low | 82.7 | Confident | 98 Ų | 98 | 57.5 Ų | 57.5 | 52% | 0.524 | 34% | 0.336 | S | S | . | . | trans | -75.9 | 83 | 172 | -68.8 | -21.8 | 0 | 0 | 0 | 108.5 | K63 S104 S109 | K63-D107 IonicContact NZ-OD1 2.83Å; K63-D107 PolarHBondContact NZ-OD1 3.29Å; K63-D107 IonicContact NZ-OD2 2.66Å; K63-D107 PolarHBondContact NZ-OD2 3.18Å; S104-D107 WeakPolarHBondContact CB-OD2 3.33Å; S104-D107 PolarHBondContact O-N 3.28Å; D107-S109 PolarHBondContact O-N 2.83Å | ||
| 108 | V | 62.1 | Low | 82.7 | Confident | 108 Ų | 108 | 60.8 Ų | 60.8 | 66% | 0.655 | 35% | 0.354 | S | S | * | . | trans | -74.7 | 107.9 | -170.1 | -173.1 | 0 | 0 | 0 | 0 | 111.5 | D106 | D106-V108 WeakPolarHBondContact O-CG2 3.43Å; D106-V108 PolarHBondContact O-N 2.8Å | ||
| 109 | S | 62.7 | Low | 82.8 | Confident | 73 Ų | 73 | 64.3 Ų | 64.3 | 51% | 0.51 | 37% | 0.369 | S | S | . | . | trans | -85.1 | 129.4 | 139 | 179.1 | 0 | 0 | 0 | 0 | 107.8 | D107 F111 | D107-S109 PolarHBondContact O-N 2.83Å; S109-F111 PolarHBondContact O-N 2.88Å; S109-F111 WeakPolarHBondContact OG-CB 3.47Å; S109-F111 PolarHBondContact OG-N 3.44Å | ||
| 110 | S | 64.3 | Low | 82.9 | Confident | 114 Ų | 114 | 63.1 Ų | 63.1 | 80% | 0.797 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -68.3 | -7.3 | 172.5 | 51.9 | 0 | 0 | 0 | 0 | 112.8 | ||
| 111 | F | 81.8 | Confident | 83.1 | Confident | 157 Ų | 157 | 62.6 Ų | 62.6 | 69% | 0.689 | 36% | 0.358 | S | S | * | . | trans | -89 | 116.9 | 179.4 | -165 | -92.6 | 0 | 0 | 0 | 110.5 | S109 | S109-F111 PolarHBondContact O-N 2.88Å; S109-F111 WeakPolarHBondContact OG-CB 3.47Å; S109-F111 PolarHBondContact OG-N 3.44Å | ||
| 112 | V | 89.7 | Confident | 83.2 | Confident | 41 Ų | 41 | 66 Ų | 66 | 25% | 0.248 | 37% | 0.374 | C | S | . | . | trans | -90.8 | 125 | 169.4 | 178.4 | 0 | 0 | 0 | 0 | 108 | P114 A117 R153 | V112-P114 VanDerWaalsContact O-CD 3.25Å; V112-P114 WeakPolarHBondContact O-CD 3.41Å; V112-A117 HydrophobicContact CG1-CB 4.41Å; V112-R153 HydrophobicContact CG1-CB 3.81Å; V112-R153 HydrophobicContact CG1-CG 3.99Å | ||
| 113 | D | 93 | Very high | 83.6 | Confident | 73 Ų | 73 | 62.2 Ų | 62.2 | 39% | 0.39 | 36% | 0.357 | S | S | . | . | trans | -78.7 | 109.7 | 171.2 | -178.1 | -24.6 | 0 | 0 | 0 | 109 | A115 L116 A117 | D113-A115 VanDerWaalsContact C-N 3.3Å; D113-A115 PolarHBondContact O-N 3.12Å; D113-A115 WeakPolarHBondContact OD1-CB 3.24Å; D113-A115 PolarHBondContact OD1-N 3.13Å; D113-L116 HydrophobicContact CB-CB 3.94Å; D113-L116 PolarHBondContact O-N 2.91Å; D113-L116 PolarHBondContact OD1-N 3.41Å; D113-L116 VanDerWaalsContact OD1-N 3.12Å; D113-A117 WeakPolarHBondContact O-CB 3.06Å; D113-A117 PolarHBondContact O-N 3.21Å | ||
| 114 | P | 95.9 | Very high | 84.8 | Confident | 77 Ų | 77 | 61.6 Ų | 61.6 | 50% | 0.5 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.5 | -29.2 | -175.6 | 29 | -35.1 | 0 | 0 | 0 | 112.7 | V112 L118 | V112-P114 VanDerWaalsContact O-CD 3.25Å; V112-P114 WeakPolarHBondContact O-CD 3.41Å; P114-L118 WeakPolarHBondContact O-CB 3.38Å; P114-L118 PolarHBondContact O-N 2.92Å |
| 115 | A | 97.4 | Very high | 86.2 | Confident | 68 Ų | 68 | 62.3 Ų | 62.3 | 56% | 0.562 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -72.3 | -43.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | D113 L118 Q119 | D113-A115 VanDerWaalsContact C-N 3.3Å; D113-A115 PolarHBondContact O-N 3.12Å; D113-A115 WeakPolarHBondContact OD1-CB 3.24Å; D113-A115 PolarHBondContact OD1-N 3.13Å; A115-L118 PolarHBondContact O-N 3.08Å; A115-Q119 WeakPolarHBondContact O-CB 3.36Å; A115-Q119 PolarHBondContact O-N 3.31Å |
| 116 | L | 96.4 | Very high | 87.4 | Confident | 66 Ų | 66 | 62.6 Ų | 62.6 | 35% | 0.346 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.1 | -40.1 | 174.2 | -178.6 | 62.4 | 0 | 0 | 0 | 111.7 | D113 L118 Q119 D120 | D113-L116 HydrophobicContact CB-CB 3.94Å; D113-L116 PolarHBondContact O-N 2.91Å; D113-L116 PolarHBondContact OD1-N 3.41Å; D113-L116 VanDerWaalsContact OD1-N 3.12Å; L116-L118 VanDerWaalsContact C-N 3.34Å; L116-L118 PolarHBondContact O-N 2.58Å; L116-Q119 PolarHBondContact O-N 3.08Å; L116-D120 PolarHBondContact O-N 3.27Å |
| 117 | A | 97.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.5 | -41 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V112 D113 Q119 D120 A121 H150 R153 V154 | V112-A117 HydrophobicContact CG1-CB 4.41Å; D113-A117 WeakPolarHBondContact O-CB 3.06Å; D113-A117 PolarHBondContact O-N 3.21Å; A117-Q119 VanDerWaalsContact C-N 3.34Å; A117-D120 PolarHBondContact O-N 3.1Å; A117-A121 WeakPolarHBondContact O-CB 3.22Å; A117-A121 PolarHBondContact O-N 2.95Å; A117-H150 PolarHBondContact N-CE1 2.54Å; A117-R153 HydrophobicContact CB-CB 4.13Å; A117-R153 HydrophobicContact CB-CG 3.64Å; A117-V154 HydrophobicContact CB-CG2 4.06Å |
| 118 | L | 98.2 | Very high | 89.7 | Confident | 70 Ų | 70 | 55.9 Ų | 55.9 | 37% | 0.366 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 173.3 | -178.3 | 63.1 | 0 | 0 | 0 | 111.6 | P114 A115 L116 A121 Q122 E157 I161 | P114-L118 WeakPolarHBondContact O-CB 3.38Å; P114-L118 PolarHBondContact O-N 2.92Å; A115-L118 PolarHBondContact O-N 3.08Å; L116-L118 VanDerWaalsContact C-N 3.34Å; L116-L118 PolarHBondContact O-N 2.58Å; L118-A121 PolarHBondContact O-N 3.04Å; L118-Q122 VanDerWaalsContact O-CG 3.31Å; L118-Q122 WeakPolarHBondContact O-CG 3.5Å; L118-Q122 PolarHBondContact O-N 2.87Å; L118-E157 HydrophobicContact CD1-CB 4.34Å; L118-E157 HydrophobicContact CD1-CG 4.5Å; L118-I161 HydrophobicContact CD1-CD1 3.93Å |
| 119 | Q | 98.3 | Very high | 90.5 | Very high | 89 Ų | 89 | 54.3 Ų | 54.3 | 42% | 0.416 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.2 | -47.2 | 176.6 | -175.2 | 62.8 | 60.3 | 0 | 0 | 111.7 | A115 L116 A117 A121 Q122 D123 | A115-Q119 WeakPolarHBondContact O-CB 3.36Å; A115-Q119 PolarHBondContact O-N 3.31Å; L116-Q119 PolarHBondContact O-N 3.08Å; A117-Q119 VanDerWaalsContact C-N 3.34Å; Q119-A121 VanDerWaalsContact C-N 3.28Å; Q119-A121 PolarHBondContact O-N 3.15Å; Q119-Q122 WeakPolarHBondContact O-CB 3.43Å; Q119-Q122 PolarHBondContact O-N 2.93Å; Q119-Q122 VanDerWaalsContact O-N 3.14Å; Q119-D123 PolarHBondContact NE2-OD1 3.4Å; Q119-D123 WeakPolarHBondContact O-CB 3.34Å; Q119-D123 PolarHBondContact O-N 3.22Å |
| 120 | D | 98 | Very high | 90.9 | Very high | 3 Ų | 3 | 57.9 Ų | 57.9 | 2% | 0.016 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.6 | -39 | 177.6 | -74.9 | -27.6 | 0 | 0 | 0 | 110.8 | L116 A117 D123 L124 I142 R146 H150 V154 | L116-D120 PolarHBondContact O-N 3.27Å; A117-D120 PolarHBondContact O-N 3.1Å; D120-D123 PolarHBondContact O-N 3.47Å; D120-L124 WeakPolarHBondContact O-CG 3.17Å; D120-L124 PolarHBondContact O-N 3.36Å; D120-I142 HydrophobicContact CB-CD1 4.13Å; D120-I142 HydrophobicContact CB-CG2 4.26Å; D120-R146 IonicContact OD1-CZ 3.64Å; D120-R146 IonicContact OD1-NE 3.59Å; D120-R146 IonicContact OD1-NH2 2.85Å; D120-R146 PolarHBondContact OD1-NH2 3.15Å; D120-R146 IonicContact OD2-CZ 3.59Å; D120-R146 IonicContact OD2-NE 2.77Å; D120-R146 PolarHBondContact OD2-NE 2.79Å; D120-R146 IonicContact OD2-NH2 3.52Å; D120-H150 IonicContact OD2-CD2 3.28Å; D120-H150 IonicContact OD2-CE1 2.73Å; D120-H150 IonicContact OD2-NE2 3.09Å; D120-H150 PolarHBondContact OD2-NE2 3.43Å; D120-V154 HydrophobicContact CB-CG1 4.1Å; D120-V154 HydrophobicContact CB-CG2 3.74Å |
| 121 | A | 97.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A117 L118 Q119 Y125 V154 E157 I161 | A117-A121 WeakPolarHBondContact O-CB 3.22Å; A117-A121 PolarHBondContact O-N 2.95Å; L118-A121 PolarHBondContact O-N 3.04Å; Q119-A121 VanDerWaalsContact C-N 3.28Å; Q119-A121 PolarHBondContact O-N 3.15Å; A121-Y125 WeakPolarHBondContact O-CB 3.33Å; A121-Y125 PolarHBondContact O-N 2.71Å; A121-V154 HydrophobicContact CB-CG1 4.23Å; A121-E157 HydrophobicContact CB-CB 3.73Å; A121-I161 HydrophobicContact CB-CD1 4.13Å |
| 122 | Q | 97.1 | Very high | 90.2 | Very high | 86 Ų | 86 | 62.1 Ų | 62.1 | 40% | 0.402 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.3 | -39.5 | 174.6 | -72.8 | 174.6 | 2.4 | 0 | 0 | 112.2 | L118 Q119 Y125 A126 I161 | L118-Q122 VanDerWaalsContact O-CG 3.31Å; L118-Q122 WeakPolarHBondContact O-CG 3.5Å; L118-Q122 PolarHBondContact O-N 2.87Å; Q119-Q122 WeakPolarHBondContact O-CB 3.43Å; Q119-Q122 PolarHBondContact O-N 2.93Å; Q119-Q122 VanDerWaalsContact O-N 3.14Å; Q122-Y125 PolarHBondContact O-N 3.48Å; Q122-A126 WeakPolarHBondContact O-CB 3.48Å; Q122-A126 PolarHBondContact O-N 2.88Å; Q122-I161 HydrophobicContact CG-CD1 3.82Å |
| 123 | D | 96.6 | Very high | 89.1 | Confident | 44 Ų | 44 | 62.3 Ų | 62.3 | 24% | 0.235 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 176.9 | -84.9 | 23.6 | 0 | 0 | 0 | 111 | Q119 D120 A126 A127 K138 I142 | Q119-D123 PolarHBondContact NE2-OD1 3.4Å; Q119-D123 WeakPolarHBondContact O-CB 3.34Å; Q119-D123 PolarHBondContact O-N 3.22Å; D120-D123 PolarHBondContact O-N 3.47Å; D123-A126 PolarHBondContact O-N 2.96Å; D123-A127 WeakPolarHBondContact O-CB 3.34Å; D123-A127 PolarHBondContact O-N 3.27Å; D123-K138 HydrophobicContact CB-CD 4.16Å; D123-K138 HydrophobicContact CB-CG 4.27Å; D123-K138 IonicContact OD2-NZ 3.62Å; D123-I142 HydrophobicContact CB-CD1 4.1Å |
| 124 | L | 95.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 174.4 | -71.5 | 175.1 | 0 | 0 | 0 | 111.7 | D120 A126 A127 G128 F139 I142 V154 Y158 I166 | D120-L124 WeakPolarHBondContact O-CG 3.17Å; D120-L124 PolarHBondContact O-N 3.36Å; L124-A126 VanDerWaalsContact C-N 3.33Å; L124-A126 PolarHBondContact O-N 3.05Å; L124-A127 PolarHBondContact O-N 3.39Å; L124-G128 PolarHBondContact O-N 3.02Å; L124-F139 HydrophobicContact CD2-CB 4.39Å; L124-F139 HydrophobicContact CD2-CD1 3.74Å; L124-F139 HydrophobicContact CD2-CD2 4.12Å; L124-F139 HydrophobicContact CD2-CE1 3.97Å; L124-F139 HydrophobicContact CD2-CE2 4.32Å; L124-F139 HydrophobicContact CD2-CG 3.82Å; L124-F139 HydrophobicContact CD2-CZ 4.24Å; L124-I142 HydrophobicContact CD1-CG2 4.19Å; L124-I142 HydrophobicContact CD2-CB 4.32Å; L124-I142 HydrophobicContact CD2-CD1 3.85Å; L124-I142 HydrophobicContact CG-CD1 3.79Å; L124-I142 HydrophobicContact CG-CG2 4.47Å; L124-V154 HydrophobicContact CD1-CG1 3.69Å; L124-Y158 HydrophobicContact CB-CD2 3.78Å; L124-Y158 HydrophobicContact CB-CE2 3.81Å; L124-I166 HydrophobicContact CD1-CD1 4.16Å |
| 125 | Y | 94.7 | Very high | 88.1 | Confident | 65 Ų | 65 | 59.1 Ų | 59.1 | 26% | 0.255 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 178.2 | 178.2 | -113 | 0 | 0 | 0 | 111.7 | A121 Q122 E129 K130 I161 A162 | A121-Y125 WeakPolarHBondContact O-CB 3.33Å; A121-Y125 PolarHBondContact O-N 2.71Å; Q122-Y125 PolarHBondContact O-N 3.48Å; Y125-E129 HydrophobicContact CD2-CB 3.81Å; Y125-E129 HydrophobicContact CD2-CG 3.9Å; Y125-E129 HydrophobicContact CE2-CB 3.53Å; Y125-E129 HydrophobicContact CE2-CG 3.85Å; Y125-E129 PolarHBondContact O-N 2.59Å; Y125-K130 HydrophobicContact CE1-CD 4.45Å; Y125-K130 HydrophobicContact CE1-CG 4.25Å; Y125-I161 HydrophobicContact CD1-CG2 3.76Å; Y125-I161 HydrophobicContact CE1-CG2 4.18Å; Y125-I161 HydrophobicContact CG-CG2 3.96Å; Y125-A162 HydrophobicContact CD2-CB 3.62Å; Y125-A162 HydrophobicContact CE2-CB 3.91Å |
| 126 | A | 93.4 | Very high | 87.8 | Confident | 34 Ų | 34 | 58 Ų | 58 | 28% | 0.281 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.2 | -37.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q122 D123 L124 K130 | Q122-A126 WeakPolarHBondContact O-CB 3.48Å; Q122-A126 PolarHBondContact O-N 2.88Å; D123-A126 PolarHBondContact O-N 2.96Å; L124-A126 VanDerWaalsContact C-N 3.33Å; L124-A126 PolarHBondContact O-N 3.05Å; A126-K130 HydrophobicContact CB-CD 4.31Å |
| 127 | A | 90.4 | Very high | 87.7 | Confident | 5 Ų | 5 | 57.7 Ų | 57.7 | 4% | 0.041 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.4 | -31.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | D123 L124 T134 D135 K138 F139 | D123-A127 WeakPolarHBondContact O-CB 3.34Å; D123-A127 PolarHBondContact O-N 3.27Å; L124-A127 PolarHBondContact O-N 3.39Å; A127-T134 CarbonylContact O-C 3.54Å; A127-T134 WeakPolarHBondContact O-CA 3.36Å; A127-D135 HydrophobicContact CB-CB 3.86Å; A127-D135 PolarHBondContact O-N 2.95Å; A127-K138 HydrophobicContact CB-CB 3.86Å; A127-K138 HydrophobicContact CB-CG 4.02Å; A127-F139 HydrophobicContact CB-CD2 4.08Å; A127-F139 HydrophobicContact CB-CE2 3.82Å |
| 128 | G | 83.6 | Confident | 87.6 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -99.4 | -56.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L124 | L124-G128 PolarHBondContact O-N 3.02Å |
| 129 | E | 78.1 | Confident | 87.4 | Confident | 75 Ų | 75 | 57.9 Ų | 57.9 | 35% | 0.35 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -96.2 | -13.6 | -161.5 | -62.2 | -78.3 | 163.7 | 0 | 0 | 113.5 | Y125 K164 | Y125-E129 HydrophobicContact CD2-CB 3.81Å; Y125-E129 HydrophobicContact CD2-CG 3.9Å; Y125-E129 HydrophobicContact CE2-CB 3.53Å; Y125-E129 HydrophobicContact CE2-CG 3.85Å; Y125-E129 PolarHBondContact O-N 2.59Å; E129-K164 IonicContact OE1-NZ 3.51Å; E129-K164 PolarHBondContact OE1-NZ 2.97Å |
| 130 | K | 70.1 | Confident | 87.2 | Confident | 148 Ų | 148 | 53.8 Ų | 53.8 | 64% | 0.643 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -98.3 | -15.6 | -177.9 | -71 | -169.2 | 177.3 | 176.9 | 0 | 115.1 | Y125 A126 | Y125-K130 HydrophobicContact CE1-CD 4.45Å; Y125-K130 HydrophobicContact CE1-CG 4.25Å; A126-K130 HydrophobicContact CB-CD 4.31Å |
| 131 | I | 65.9 | Low | 87 | Confident | 102 Ų | 102 | 56.7 Ų | 56.7 | 52% | 0.523 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -116.8 | 147.3 | -172.7 | -57.7 | 173 | 0 | 0 | 0 | 108.8 | G133 | I131-G133 CarbonylContact C-O 3.56Å; I131-G133 PolarHBondContact O-N 3.31Å; I131-G133 VanDerWaalsContact O-N 3.15Å |
| 132 | R | 66.4 | Low | 86.9 | Confident | 257 Ų | 257 | 56.8 Ų | 56.8 | 97% | 0.97 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -75.7 | 101.4 | 170.3 | -174.2 | -179.8 | -179.1 | 179.3 | 0.2 | 108.2 | ||
| 133 | G | 66.9 | Low | 86.7 | Confident | 46 Ų | 46 | 52.8 Ų | 52.8 | 47% | 0.474 | 26% | 0.261 | S | S | . | . | S | Bend | trans | 97.4 | 153.6 | -168.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | I131 | I131-G133 CarbonylContact C-O 3.56Å; I131-G133 PolarHBondContact O-N 3.31Å; I131-G133 VanDerWaalsContact O-N 3.15Å |
| 134 | T | 78.6 | Confident | 86.5 | Confident | 18 Ų | 18 | 50.7 Ų | 50.7 | 11% | 0.11 | 25% | 0.25 | C | S | . | . | trans | -93 | 141.5 | -171.3 | -39.5 | 0 | 0 | 0 | 0 | 110.9 | A127 E136 F139 E173 | A127-T134 CarbonylContact O-C 3.54Å; A127-T134 WeakPolarHBondContact O-CA 3.36Å; T134-E136 HydrophobicContact CG2-CG 4.49Å; T134-E136 PolarHBondContact O-N 3.23Å; T134-F139 HydrophobicContact CG2-CD2 4.08Å; T134-F139 HydrophobicContact CG2-CE2 3.89Å; T134-E173 HydrophobicContact CG2-CB 3.84Å; T134-E173 HydrophobicContact CG2-CG 4.33Å; T134-E173 VanDerWaalsContact OG1-CB 3.3Å; T134-E173 WeakPolarHBondContact OG1-CB 3.23Å; T134-E173 PolarHBondContact OG1-O 3.43Å; T134-E173 VanDerWaalsContact OG1-O 3.12Å; T134-E173 PolarHBondContact OG1-OE2 3.37Å | ||
| 135 | D | 88.7 | Confident | 86.2 | Confident | 65 Ų | 65 | 52.9 Ų | 52.9 | 35% | 0.348 | 26% | 0.264 | S | S | . | . | trans | -84 | 84.4 | 163.8 | -179.6 | -9.5 | 0 | 0 | 0 | 109 | A127 M137 K138 | A127-D135 HydrophobicContact CB-CB 3.86Å; A127-D135 PolarHBondContact O-N 2.95Å; D135-M137 PolarHBondContact O-N 2.93Å; D135-M137 PolarHBondContact OD1-N 3.46Å; D135-K138 HydrophobicContact CB-CB 4.27Å; D135-K138 PolarHBondContact O-N 3.28Å; D135-K138 PolarHBondContact OD1-N 3.03Å; D135-K138 VanDerWaalsContact OD1-N 3.1Å | ||
| 136 | E | 91.4 | Very high | 86.1 | Confident | 44 Ų | 44 | 52.8 Ų | 52.8 | 21% | 0.206 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.5 | -29.8 | -174.9 | -54.1 | 89.8 | 161.8 | 0 | 0 | 112.1 | Y92 T134 K138 F139 I140 L178 M182 | Y92-E136 HydrophobicContact CD1-CB 3.99Å; Y92-E136 HydrophobicContact CD2-CB 3.87Å; Y92-E136 HydrophobicContact CD2-CG 3.88Å; Y92-E136 HydrophobicContact CE1-CB 4.03Å; Y92-E136 HydrophobicContact CE2-CB 3.85Å; Y92-E136 HydrophobicContact CE2-CG 3.8Å; Y92-E136 WeakPolarHBondContact CE2-OE2 3.3Å; Y92-E136 HydrophobicContact CG-CB 3.92Å; Y92-E136 HydrophobicContact CG-CG 4.4Å; Y92-E136 PolarHBondContact OH-OE2 3.38Å; T134-E136 HydrophobicContact CG2-CG 4.49Å; T134-E136 PolarHBondContact O-N 3.23Å; E136-K138 VanDerWaalsContact C-N 3.32Å; E136-K138 PolarHBondContact O-N 2.67Å; E136-F139 PolarHBondContact O-N 3.3Å; E136-I140 VanDerWaalsContact O-CG1 3.24Å; E136-I140 WeakPolarHBondContact O-CG1 3.38Å; E136-I140 PolarHBondContact O-N 3.07Å; E136-L178 HydrophobicContact CB-CD2 4.22Å; E136-L178 HydrophobicContact CG-CD2 3.98Å; E136-M182 HydrophobicContact CB-CE 4.48Å |
| 137 | M | 93.7 | Very high | 86 | Confident | 60 Ų | 60 | 52.3 Ų | 52.3 | 30% | 0.296 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.7 | -36.2 | 177.6 | -75.4 | -53.4 | -59.4 | 0 | 0 | 112.5 | Y92 R95 D135 I140 T141 | Y92-M137 HydrophobicContact CD1-CG 4.49Å; Y92-M137 HydrophobicContact CD1-SD 3.95Å; Y92-M137 HydrophobicContact CE1-CG 3.74Å; Y92-M137 HydrophobicContact CE1-SD 3.73Å; R95-M137 WeakPolarHBondContact CD-SD 3.3Å; R95-M137 PolarHBondContact NH1-SD 2.84Å; D135-M137 PolarHBondContact O-N 2.93Å; D135-M137 PolarHBondContact OD1-N 3.46Å; M137-I140 PolarHBondContact O-N 3.42Å; M137-I140 HydrophobicContact SD-CD1 4.26Å; M137-T141 WeakPolarHBondContact O-CB 3.38Å; M137-T141 PolarHBondContact O-N 3.35Å; M137-T141 PolarHBondContact O-OG1 3.46Å |
| 138 | K | 94.9 | Very high | 86 | Confident | 73 Ų | 73 | 53.6 Ų | 53.6 | 32% | 0.317 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 176.1 | -169.4 | 64.4 | 60.5 | 162.8 | 0 | 111.1 | D123 A127 D135 E136 T141 I142 | D123-K138 HydrophobicContact CB-CD 4.16Å; D123-K138 HydrophobicContact CB-CG 4.27Å; D123-K138 IonicContact OD2-NZ 3.62Å; A127-K138 HydrophobicContact CB-CB 3.86Å; A127-K138 HydrophobicContact CB-CG 4.02Å; D135-K138 HydrophobicContact CB-CB 4.27Å; D135-K138 PolarHBondContact O-N 3.28Å; D135-K138 PolarHBondContact OD1-N 3.03Å; D135-K138 VanDerWaalsContact OD1-N 3.1Å; E136-K138 VanDerWaalsContact C-N 3.32Å; E136-K138 PolarHBondContact O-N 2.67Å; K138-T141 PolarHBondContact O-N 3.03Å; K138-I142 HydrophobicContact CD-CD1 4.12Å; K138-I142 HydrophobicContact CG-CD1 4.11Å; K138-I142 WeakPolarHBondContact O-CG1 3.35Å; K138-I142 PolarHBondContact O-N 3.32Å; K138-I142 VanDerWaalsContact O-N 3.11Å |
| 139 | F | 94.8 | Very high | 86.4 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.5 | -51.8 | 173.9 | -84.2 | -99.7 | 0 | 0 | 0 | 111.6 | L124 A127 T134 E136 T141 I142 L143 I166 I170 M182 | L124-F139 HydrophobicContact CD2-CB 4.39Å; L124-F139 HydrophobicContact CD2-CD1 3.74Å; L124-F139 HydrophobicContact CD2-CD2 4.12Å; L124-F139 HydrophobicContact CD2-CE1 3.97Å; L124-F139 HydrophobicContact CD2-CE2 4.32Å; L124-F139 HydrophobicContact CD2-CG 3.82Å; L124-F139 HydrophobicContact CD2-CZ 4.24Å; A127-F139 HydrophobicContact CB-CD2 4.08Å; A127-F139 HydrophobicContact CB-CE2 3.82Å; T134-F139 HydrophobicContact CG2-CD2 4.08Å; T134-F139 HydrophobicContact CG2-CE2 3.89Å; E136-F139 PolarHBondContact O-N 3.3Å; F139-T141 VanDerWaalsContact C-N 3.33Å; F139-T141 PolarHBondContact O-N 2.92Å; F139-I142 PolarHBondContact O-N 3.42Å; F139-L143 VanDerWaalsContact O-CB 3.31Å; F139-L143 WeakPolarHBondContact O-CB 3.37Å; F139-L143 VanDerWaalsContact O-CG 3.28Å; F139-L143 WeakPolarHBondContact O-CG 3.44Å; F139-L143 PolarHBondContact O-N 3.25Å; F139-I166 HydrophobicContact CE1-CD1 3.86Å; F139-I170 HydrophobicContact CD1-CG1 4.32Å; F139-I170 HydrophobicContact CE1-CG1 4.12Å; F139-M182 HydrophobicContact CB-CE 3.51Å; F139-M182 HydrophobicContact CB-SD 4.02Å; F139-M182 HydrophobicContact CD1-SD 4.25Å; F139-M182 HydrophobicContact CG-CE 4.33Å; F139-M182 HydrophobicContact CG-SD 4.37Å |
| 140 | I | 94.4 | Very high | 87.2 | Confident | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.015 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.8 | -48.2 | -179.6 | -68.7 | 169.6 | 0 | 0 | 0 | 110.9 | Y92 R95 I96 C99 E136 M137 I142 L143 C144 L178 M182 | Y92-I140 HydrophobicContact CD1-CD1 3.95Å; Y92-I140 HydrophobicContact CG-CD1 4.43Å; R95-I140 HydrophobicContact CB-CD1 4.2Å; I96-I140 HydrophobicContact CB-CD1 4.18Å; I96-I140 HydrophobicContact CB-CG1 3.97Å; I96-I140 HydrophobicContact CB-CG2 4.13Å; I96-I140 HydrophobicContact CD1-CG1 4.35Å; I96-I140 HydrophobicContact CG1-CG1 4.24Å; I96-I140 HydrophobicContact CG1-CG2 4.25Å; C99-I140 HydrophobicContact CB-CG2 4.18Å; E136-I140 VanDerWaalsContact O-CG1 3.24Å; E136-I140 WeakPolarHBondContact O-CG1 3.38Å; E136-I140 PolarHBondContact O-N 3.07Å; M137-I140 PolarHBondContact O-N 3.42Å; M137-I140 HydrophobicContact SD-CD1 4.26Å; I140-I142 PolarHBondContact O-N 3.33Å; I140-L143 PolarHBondContact O-N 3.37Å; I140-C144 VanDerWaalsContact O-CB 3.31Å; I140-C144 WeakPolarHBondContact O-CB 3.39Å; I140-C144 PolarHBondContact O-N 2.92Å; I140-C144 PolarHBondContact O-SG 3.06Å; I140-L178 HydrophobicContact CD1-CD1 4.35Å; I140-M182 HydrophobicContact CG1-CE 3.95Å |
| 141 | T | 93.8 | Very high | 88.4 | Confident | 63 Ų | 63 | 46.3 Ų | 46.3 | 39% | 0.387 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.8 | -48.8 | -177.2 | -56.8 | 0 | 0 | 0 | 0 | 111.1 | M137 K138 F139 T145 | M137-T141 WeakPolarHBondContact O-CB 3.38Å; M137-T141 PolarHBondContact O-N 3.35Å; M137-T141 PolarHBondContact O-OG1 3.46Å; K138-T141 PolarHBondContact O-N 3.03Å; F139-T141 VanDerWaalsContact C-N 3.33Å; F139-T141 PolarHBondContact O-N 2.92Å; T141-T145 WeakPolarHBondContact O-CB 3.44Å; T141-T145 VanDerWaalsContact O-CG2 3.29Å; T141-T145 WeakPolarHBondContact O-CG2 3.39Å; T141-T145 PolarHBondContact O-N 3.38Å; T141-T145 PolarHBondContact O-OG1 2.99Å |
| 142 | I | 94.8 | Very high | 89.8 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.015 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.8 | -48.5 | -178.2 | -68.2 | 170.4 | 0 | 0 | 0 | 110.2 | D120 D123 L124 K138 F139 I140 C144 R146 L151 | D120-I142 HydrophobicContact CB-CD1 4.13Å; D120-I142 HydrophobicContact CB-CG2 4.26Å; D123-I142 HydrophobicContact CB-CD1 4.1Å; L124-I142 HydrophobicContact CD1-CG2 4.19Å; L124-I142 HydrophobicContact CD2-CB 4.32Å; L124-I142 HydrophobicContact CD2-CD1 3.85Å; L124-I142 HydrophobicContact CG-CD1 3.79Å; L124-I142 HydrophobicContact CG-CG2 4.47Å; K138-I142 HydrophobicContact CD-CD1 4.12Å; K138-I142 HydrophobicContact CG-CD1 4.11Å; K138-I142 WeakPolarHBondContact O-CG1 3.35Å; K138-I142 PolarHBondContact O-N 3.32Å; K138-I142 VanDerWaalsContact O-N 3.11Å; F139-I142 PolarHBondContact O-N 3.42Å; I140-I142 PolarHBondContact O-N 3.33Å; I142-C144 VanDerWaalsContact C-N 3.32Å; I142-C144 PolarHBondContact O-N 2.9Å; I142-R146 HydrophobicContact CG2-CG 4.21Å; I142-R146 WeakPolarHBondContact O-CB 3.35Å; I142-R146 VanDerWaalsContact O-CG 3.3Å; I142-R146 WeakPolarHBondContact O-CG 3.42Å; I142-R146 PolarHBondContact O-N 3.41Å; I142-L151 HydrophobicContact CG2-CD2 3.93Å |
| 143 | L | 94.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65 | -30.2 | -176.1 | -70.6 | 175.2 | 0 | 0 | 0 | 114 | F139 I140 L151 F155 M182 V185 V186 | F139-L143 VanDerWaalsContact O-CB 3.31Å; F139-L143 WeakPolarHBondContact O-CB 3.37Å; F139-L143 VanDerWaalsContact O-CG 3.28Å; F139-L143 WeakPolarHBondContact O-CG 3.44Å; F139-L143 PolarHBondContact O-N 3.25Å; I140-L143 PolarHBondContact O-N 3.37Å; L143-L151 HydrophobicContact CD2-CD2 4.4Å; L143-F155 HydrophobicContact CD2-CE1 3.87Å; L143-F155 HydrophobicContact CD2-CZ 3.85Å; L143-M182 HydrophobicContact CD1-CB 4.11Å; L143-M182 HydrophobicContact CD1-CG 4.03Å; L143-V185 HydrophobicContact CB-CG1 4.12Å; L143-V186 HydrophobicContact CD2-CG2 4.03Å |
| 144 | C | 91.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -98.2 | -22.6 | -174.6 | -59 | 0 | 0 | 0 | 0 | 114 | I96 C99 L100 I140 I142 | I96-C144 VanDerWaalsContact CG1-SG 3.58Å; C99-C144 HydrophobicContact CB-CB 3.87Å; C99-C144 WeakPolarHBondContact SG-CB 3.44Å; L100-C144 HydrophobicContact CD2-CB 4.38Å; I140-C144 VanDerWaalsContact O-CB 3.31Å; I140-C144 WeakPolarHBondContact O-CB 3.39Å; I140-C144 PolarHBondContact O-N 2.92Å; I140-C144 PolarHBondContact O-SG 3.06Å; I142-C144 VanDerWaalsContact C-N 3.32Å; I142-C144 PolarHBondContact O-N 2.9Å |
| 145 | T | 90.3 | Very high | 93.6 | Very high | 46 Ų | 46 | 34.5 Ų | 34.5 | 28% | 0.282 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -104.5 | -22.4 | -173.4 | 68.4 | 0 | 0 | 0 | 0 | 114.3 | T141 | T141-T145 WeakPolarHBondContact O-CB 3.44Å; T141-T145 VanDerWaalsContact O-CG2 3.29Å; T141-T145 WeakPolarHBondContact O-CG2 3.39Å; T141-T145 PolarHBondContact O-N 3.38Å; T141-T145 PolarHBondContact O-OG1 2.99Å |
| 146 | R | 92.3 | Very high | 94 | Very high | 64 Ų | 64 | 35.9 Ų | 35.9 | 24% | 0.242 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -82.3 | 150.6 | 178.4 | -62.9 | -60.5 | -174.9 | -93.6 | -5 | 111.2 | R105 D120 I142 H150 L151 | R105-R146 WeakPolarHBondContact CG-O 3.26Å; D120-R146 IonicContact OD1-CZ 3.64Å; D120-R146 IonicContact OD1-NE 3.59Å; D120-R146 IonicContact OD1-NH2 2.85Å; D120-R146 PolarHBondContact OD1-NH2 3.15Å; D120-R146 IonicContact OD2-CZ 3.59Å; D120-R146 IonicContact OD2-NE 2.77Å; D120-R146 PolarHBondContact OD2-NE 2.79Å; D120-R146 IonicContact OD2-NH2 3.52Å; I142-R146 HydrophobicContact CG2-CG 4.21Å; I142-R146 WeakPolarHBondContact O-CB 3.35Å; I142-R146 VanDerWaalsContact O-CG 3.3Å; I142-R146 WeakPolarHBondContact O-CG 3.42Å; I142-R146 PolarHBondContact O-N 3.41Å; R146-H150 HydrophobicContact CB-CB 4.48Å; R146-L151 HydrophobicContact CB-CD1 4.45Å; R146-L151 HydrophobicContact CB-CD2 3.8Å; R146-L151 HydrophobicContact CB-CG 3.76Å; R146-L151 HydrophobicContact CG-CD2 4.36Å |
| 147 | S | 91.1 | Very high | 94.4 | Very high | 23 Ų | 23 | 35 Ų | 35 | 16% | 0.161 | 18% | 0.178 | C | C | . | . | trans | -67.1 | 154.5 | 174.6 | 69.6 | 0 | 0 | 0 | 0 | 111.5 | R105 T149 H150 L151 | R105-S147 VanDerWaalsContact O-CA 3.31Å; R105-S147 WeakPolarHBondContact O-CA 3.22Å; S147-T149 VanDerWaalsContact C-N 3.28Å; S147-T149 PolarHBondContact O-N 3.21Å; S147-T149 PolarHBondContact OG-OG1 3.05Å; S147-H150 WeakPolarHBondContact O-CB 3.35Å; S147-H150 PolarHBondContact O-N 3.27Å; S147-H150 VanDerWaalsContact O-N 3.12Å; S147-H150 VanDerWaalsContact OG-CB 3.31Å; S147-H150 WeakPolarHBondContact OG-CB 3.2Å; S147-H150 PolarHBondContact OG-N 3.2Å; S147-L151 WeakPolarHBondContact O-CG 3.44Å; S147-L151 PolarHBondContact O-N 2.88Å | ||
| 148 | A | 90.7 | Very high | 94.6 | Very high | 33 Ų | 33 | 32.1 Ų | 32.1 | 27% | 0.273 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -56.3 | -41.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | H150 L151 L152 T189 | A148-H150 VanDerWaalsContact C-N 3.34Å; A148-H150 PolarHBondContact O-N 2.69Å; A148-L151 PolarHBondContact O-N 3.32Å; A148-L152 WeakPolarHBondContact O-CG 3.32Å; A148-L152 PolarHBondContact O-N 3.24Å; A148-T189 HydrophobicContact CB-CG2 4.05Å |
| 149 | T | 91.8 | Very high | 94.7 | Very high | 60 Ų | 60 | 34.1 Ų | 34.1 | 37% | 0.368 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -64.5 | -37.4 | 177.4 | 49.5 | 0 | 0 | 0 | 0 | 112.6 | S147 R153 | S147-T149 VanDerWaalsContact C-N 3.28Å; S147-T149 PolarHBondContact O-N 3.21Å; S147-T149 PolarHBondContact OG-OG1 3.05Å; T149-R153 PolarHBondContact O-N 2.86Å |
| 150 | H | 94.3 | Very high | 94.8 | Very high | 11 Ų | 11 | 39.8 Ų | 39.8 | 5% | 0.051 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.1 | -45.9 | 174.4 | -175.2 | 91.3 | 0 | 0 | 0 | 111.3 | A117 D120 R146 S147 A148 L152 R153 V154 | A117-H150 PolarHBondContact N-CE1 2.54Å; D120-H150 IonicContact OD2-CD2 3.28Å; D120-H150 IonicContact OD2-CE1 2.73Å; D120-H150 IonicContact OD2-NE2 3.09Å; D120-H150 PolarHBondContact OD2-NE2 3.43Å; R146-H150 HydrophobicContact CB-CB 4.48Å; S147-H150 WeakPolarHBondContact O-CB 3.35Å; S147-H150 PolarHBondContact O-N 3.27Å; S147-H150 VanDerWaalsContact O-N 3.12Å; S147-H150 VanDerWaalsContact OG-CB 3.31Å; S147-H150 WeakPolarHBondContact OG-CB 3.2Å; S147-H150 PolarHBondContact OG-N 3.2Å; A148-H150 VanDerWaalsContact C-N 3.34Å; A148-H150 PolarHBondContact O-N 2.69Å; H150-L152 VanDerWaalsContact C-N 3.34Å; H150-L152 PolarHBondContact O-N 2.92Å; H150-R153 WeakPolarHBondContact O-CA 3.2Å; H150-R153 WeakPolarHBondContact O-CB 3.37Å; H150-R153 PolarHBondContact O-N 3.08Å; H150-V154 WeakPolarHBondContact O-CG2 3.31Å; H150-V154 PolarHBondContact O-N 3.38Å |
| 151 | L | 95.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.4 | -40 | 178.8 | -76.4 | 176.5 | 0 | 0 | 0 | 112.8 | I142 L143 R146 S147 A148 R153 V154 F155 T189 | I142-L151 HydrophobicContact CG2-CD2 3.93Å; L143-L151 HydrophobicContact CD2-CD2 4.4Å; R146-L151 HydrophobicContact CB-CD1 4.45Å; R146-L151 HydrophobicContact CB-CD2 3.8Å; R146-L151 HydrophobicContact CB-CG 3.76Å; R146-L151 HydrophobicContact CG-CD2 4.36Å; S147-L151 WeakPolarHBondContact O-CG 3.44Å; S147-L151 PolarHBondContact O-N 2.88Å; A148-L151 PolarHBondContact O-N 3.32Å; L151-R153 VanDerWaalsContact C-N 3.25Å; L151-R153 PolarHBondContact O-N 3.18Å; L151-V154 WeakPolarHBondContact O-CB 3.41Å; L151-V154 PolarHBondContact O-N 3.41Å; L151-V154 VanDerWaalsContact O-N 3.11Å; L151-F155 HydrophobicContact CB-CE1 4.46Å; L151-F155 HydrophobicContact CB-CE2 4.14Å; L151-F155 HydrophobicContact CB-CZ 3.94Å; L151-F155 HydrophobicContact CD2-CE1 4.31Å; L151-F155 HydrophobicContact CD2-CZ 4.31Å; L151-F155 WeakPolarHBondContact O-CD1 3.18Å; L151-F155 VanDerWaalsContact O-CD2 3.32Å; L151-F155 WeakPolarHBondContact O-CD2 3.19Å; L151-F155 WeakPolarHBondContact O-CG 3.33Å; L151-F155 PolarHBondContact O-N 3.13Å; L151-T189 HydrophobicContact CB-CG2 3.76Å; L151-T189 HydrophobicContact CD1-CG2 4.29Å |
| 152 | L | 95.3 | Very high | 94.9 | Very high | 67 Ų | 67 | 40 Ų | 40 | 35% | 0.351 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -55.3 | -44 | 172.6 | -73 | 173.2 | 0 | 0 | 0 | 111.4 | A148 H150 F155 E156 T189 Q190 | A148-L152 WeakPolarHBondContact O-CG 3.32Å; A148-L152 PolarHBondContact O-N 3.24Å; H150-L152 VanDerWaalsContact C-N 3.34Å; H150-L152 PolarHBondContact O-N 2.92Å; L152-F155 PolarHBondContact O-N 3.01Å; L152-E156 WeakPolarHBondContact O-CG 3.37Å; L152-E156 PolarHBondContact O-N 2.77Å; L152-E156 VanDerWaalsContact O-N 3.13Å; L152-T189 HydrophobicContact CD2-CG2 4.36Å; L152-T189 HydrophobicContact CG-CG2 4.23Å; L152-Q190 HydrophobicContact CD2-CG 4.28Å |
| 153 | R | 96.7 | Very high | 94.9 | Very high | 92 Ų | 92 | 46.8 Ų | 46.8 | 35% | 0.347 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -67.1 | -39.6 | 176.2 | -175.5 | 55.6 | 177.3 | -149.8 | -1.5 | 112.3 | V112 A117 T149 H150 L151 F155 E156 E157 | V112-R153 HydrophobicContact CG1-CB 3.81Å; V112-R153 HydrophobicContact CG1-CG 3.99Å; A117-R153 HydrophobicContact CB-CB 4.13Å; A117-R153 HydrophobicContact CB-CG 3.64Å; T149-R153 PolarHBondContact O-N 2.86Å; H150-R153 WeakPolarHBondContact O-CA 3.2Å; H150-R153 WeakPolarHBondContact O-CB 3.37Å; H150-R153 PolarHBondContact O-N 3.08Å; L151-R153 VanDerWaalsContact C-N 3.25Å; L151-R153 PolarHBondContact O-N 3.18Å; R153-F155 VanDerWaalsContact C-N 3.31Å; R153-F155 PolarHBondContact O-N 3.47Å; R153-E156 WeakPolarHBondContact CD-OE2 3.44Å; R153-E156 IonicContact CZ-OE2 3.98Å; R153-E156 IonicContact NE-OE2 2.75Å; R153-E156 IonicContact NH1-OE2 3.79Å; R153-E156 PolarHBondContact NH1-OE2 3.09Å; R153-E156 PolarHBondContact O-N 3.43Å; R153-E157 IonicContact CZ-OE1 2.81Å; R153-E157 IonicContact NE-OE1 3.76Å; R153-E157 PolarHBondContact NE-OE1 3.36Å; R153-E157 IonicContact NH2-OE1 2.65Å; R153-E157 PolarHBondContact NH2-OE1 3.31Å; R153-E157 WeakPolarHBondContact O-CG 3.36Å; R153-E157 PolarHBondContact O-N 2.94Å |
| 154 | V | 97.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.2 | -43.6 | 174.9 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | A117 D120 A121 L124 H150 L151 E157 Y158 | A117-V154 HydrophobicContact CB-CG2 4.06Å; D120-V154 HydrophobicContact CB-CG1 4.1Å; D120-V154 HydrophobicContact CB-CG2 3.74Å; A121-V154 HydrophobicContact CB-CG1 4.23Å; L124-V154 HydrophobicContact CD1-CG1 3.69Å; H150-V154 WeakPolarHBondContact O-CG2 3.31Å; H150-V154 PolarHBondContact O-N 3.38Å; L151-V154 WeakPolarHBondContact O-CB 3.41Å; L151-V154 PolarHBondContact O-N 3.41Å; L151-V154 VanDerWaalsContact O-N 3.11Å; V154-E157 PolarHBondContact O-N 3.44Å; V154-Y158 VanDerWaalsContact O-CB 3.23Å; V154-Y158 WeakPolarHBondContact O-CB 3.26Å; V154-Y158 PolarHBondContact O-N 3.31Å |
| 155 | F | 98 | Very high | 95.1 | Very high | 15 Ų | 15 | 50.5 Ų | 50.5 | 7% | 0.066 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.2 | -40 | 179.2 | -55.9 | -25.6 | 0 | 0 | 0 | 112.1 | L143 L151 L152 R153 Y158 E159 I166 V186 T189 Q190 | L143-F155 HydrophobicContact CD2-CE1 3.87Å; L143-F155 HydrophobicContact CD2-CZ 3.85Å; L151-F155 HydrophobicContact CB-CE1 4.46Å; L151-F155 HydrophobicContact CB-CE2 4.14Å; L151-F155 HydrophobicContact CB-CZ 3.94Å; L151-F155 HydrophobicContact CD2-CE1 4.31Å; L151-F155 HydrophobicContact CD2-CZ 4.31Å; L151-F155 WeakPolarHBondContact O-CD1 3.18Å; L151-F155 VanDerWaalsContact O-CD2 3.32Å; L151-F155 WeakPolarHBondContact O-CD2 3.19Å; L151-F155 WeakPolarHBondContact O-CG 3.33Å; L151-F155 PolarHBondContact O-N 3.13Å; L152-F155 PolarHBondContact O-N 3.01Å; R153-F155 VanDerWaalsContact C-N 3.31Å; R153-F155 PolarHBondContact O-N 3.47Å; F155-Y158 PolarHBondContact O-N 2.91Å; F155-E159 PolarHBondContact O-N 3.39Å; F155-E159 VanDerWaalsContact O-N 3.08Å; F155-I166 HydrophobicContact CB-CG2 4.29Å; F155-I166 HydrophobicContact CD1-CB 4.17Å; F155-I166 HydrophobicContact CD1-CG1 4.1Å; F155-I166 HydrophobicContact CD1-CG2 3.79Å; F155-I166 HydrophobicContact CD2-CG2 4.45Å; F155-I166 HydrophobicContact CE1-CG1 4.19Å; F155-I166 HydrophobicContact CE1-CG2 4.23Å; F155-I166 HydrophobicContact CG-CG2 3.93Å; F155-V186 HydrophobicContact CE1-CG2 4.36Å; F155-V186 HydrophobicContact CE2-CG1 4.08Å; F155-V186 HydrophobicContact CE2-CG2 4.43Å; F155-V186 HydrophobicContact CZ-CB 4.45Å; F155-V186 HydrophobicContact CZ-CG1 4.36Å; F155-V186 HydrophobicContact CZ-CG2 3.9Å; F155-T189 HydrophobicContact CE2-CG2 3.98Å; F155-Q190 HydrophobicContact CD2-CG 4.45Å |
| 156 | E | 97.9 | Very high | 95.4 | Very high | 95 Ų | 95 | 48.4 Ų | 48.4 | 44% | 0.444 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.8 | -45.5 | 172.9 | -71.3 | 175.2 | -176 | 0 | 0 | 112.5 | L152 R153 K160 | L152-E156 WeakPolarHBondContact O-CG 3.37Å; L152-E156 PolarHBondContact O-N 2.77Å; L152-E156 VanDerWaalsContact O-N 3.13Å; R153-E156 WeakPolarHBondContact CD-OE2 3.44Å; R153-E156 IonicContact CZ-OE2 3.98Å; R153-E156 IonicContact NE-OE2 2.75Å; R153-E156 IonicContact NH1-OE2 3.79Å; R153-E156 PolarHBondContact NH1-OE2 3.09Å; R153-E156 PolarHBondContact O-N 3.43Å; E156-K160 WeakPolarHBondContact O-CE 3.48Å; E156-K160 WeakPolarHBondContact O-CG 3.35Å |
| 157 | E | 98.4 | Very high | 95.7 | Very high | 24 Ų | 24 | 47.2 Ų | 47.2 | 11% | 0.112 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -71.1 | -35.3 | 178.6 | -62 | -55 | 162.5 | 0 | 0 | 111.8 | L118 A121 R153 V154 E159 K160 I161 | L118-E157 HydrophobicContact CD1-CB 4.34Å; L118-E157 HydrophobicContact CD1-CG 4.5Å; A121-E157 HydrophobicContact CB-CB 3.73Å; R153-E157 IonicContact CZ-OE1 2.81Å; R153-E157 IonicContact NE-OE1 3.76Å; R153-E157 PolarHBondContact NE-OE1 3.36Å; R153-E157 IonicContact NH2-OE1 2.65Å; R153-E157 PolarHBondContact NH2-OE1 3.31Å; R153-E157 WeakPolarHBondContact O-CG 3.36Å; R153-E157 PolarHBondContact O-N 2.94Å; V154-E157 PolarHBondContact O-N 3.44Å; E157-E159 PolarHBondContact O-N 2.73Å; E157-K160 PolarHBondContact O-N 3.5Å; E157-K160 IonicContact OE1-NZ 2.65Å; E157-K160 PolarHBondContact OE1-NZ 3.3Å; E157-K160 WeakPolarHBondContact OE2-CD 3.35Å; E157-K160 IonicContact OE2-NZ 3.6Å; E157-K160 PolarHBondContact OE2-NZ 3.14Å; E157-I161 WeakPolarHBondContact O-CD1 3.15Å; E157-I161 WeakPolarHBondContact O-CG1 3.49Å; E157-I161 PolarHBondContact O-N 3Å |
| 158 | Y | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.3 | -48.1 | 176.6 | -178.8 | -87.8 | 0 | 0 | 0 | 111.1 | L124 V154 F155 K160 I161 A162 K164 I166 S169 | L124-Y158 HydrophobicContact CB-CD2 3.78Å; L124-Y158 HydrophobicContact CB-CE2 3.81Å; V154-Y158 VanDerWaalsContact O-CB 3.23Å; V154-Y158 WeakPolarHBondContact O-CB 3.26Å; V154-Y158 PolarHBondContact O-N 3.31Å; F155-Y158 PolarHBondContact O-N 2.91Å; Y158-K160 VanDerWaalsContact C-N 3.28Å; Y158-K160 PolarHBondContact O-N 3.41Å; Y158-I161 PolarHBondContact O-N 2.92Å; Y158-I161 VanDerWaalsContact O-N 3.1Å; Y158-A162 HydrophobicContact CD1-CB 4.11Å; Y158-A162 HydrophobicContact CE1-CB 3.66Å; Y158-A162 HydrophobicContact CE2-CB 4.44Å; Y158-A162 WeakPolarHBondContact O-CB 3.18Å; Y158-A162 PolarHBondContact O-N 3.28Å; Y158-K164 WeakPolarHBondContact CE1-O 3.39Å; Y158-I166 HydrophobicContact CD1-CB 4.09Å; Y158-I166 HydrophobicContact CD1-CD1 4.1Å; Y158-I166 HydrophobicContact CD2-CD1 4.14Å; Y158-I166 HydrophobicContact CE1-CB 4.37Å; Y158-I166 HydrophobicContact CE1-CD1 4Å; Y158-I166 HydrophobicContact CE2-CD1 4Å; Y158-I166 HydrophobicContact CG-CD1 4.18Å; Y158-S169 VanDerWaalsContact CE1-OG 3.28Å; Y158-S169 WeakPolarHBondContact CE1-OG 3.41Å; Y158-S169 WeakPolarHBondContact OH-CB 3.19Å; Y158-S169 PolarHBondContact OH-OG 2.48Å |
| 159 | E | 97.4 | Very high | 96 | Very high | 115 Ų | 115 | 48.2 Ų | 48.2 | 54% | 0.537 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.1 | -38.5 | -179.6 | -172.5 | 174.2 | -158.7 | 0 | 0 | 112.1 | F155 E157 I161 N163 | F155-E159 PolarHBondContact O-N 3.39Å; F155-E159 VanDerWaalsContact O-N 3.08Å; E157-E159 PolarHBondContact O-N 2.73Å; E159-I161 VanDerWaalsContact C-N 3.34Å; E159-I161 PolarHBondContact O-N 2.74Å; E159-N163 VanDerWaalsContact O-CA 3.27Å; E159-N163 WeakPolarHBondContact O-CA 3.33Å; E159-N163 PolarHBondContact O-N 3.27Å |
| 160 | K | 97.5 | Very high | 96.2 | Very high | 121 Ų | 121 | 45.3 Ų | 45.3 | 53% | 0.526 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.6 | -34.6 | 176.5 | -64.1 | 173.3 | -151.7 | 160.2 | 0 | 113.1 | E156 E157 Y158 | E156-K160 WeakPolarHBondContact O-CE 3.48Å; E156-K160 WeakPolarHBondContact O-CG 3.35Å; E157-K160 PolarHBondContact O-N 3.5Å; E157-K160 IonicContact OE1-NZ 2.65Å; E157-K160 PolarHBondContact OE1-NZ 3.3Å; E157-K160 WeakPolarHBondContact OE2-CD 3.35Å; E157-K160 IonicContact OE2-NZ 3.6Å; E157-K160 PolarHBondContact OE2-NZ 3.14Å; Y158-K160 VanDerWaalsContact C-N 3.28Å; Y158-K160 PolarHBondContact O-N 3.41Å |
| 161 | I | 96.2 | Very high | 96.2 | Very high | 51 Ų | 51 | 49.8 Ų | 49.8 | 26% | 0.262 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -83.7 | -44.3 | -177.4 | -62.4 | 163.3 | 0 | 0 | 0 | 110.6 | L118 A121 Q122 Y125 E157 Y158 E159 | L118-I161 HydrophobicContact CD1-CD1 3.93Å; A121-I161 HydrophobicContact CB-CD1 4.13Å; Q122-I161 HydrophobicContact CG-CD1 3.82Å; Y125-I161 HydrophobicContact CD1-CG2 3.76Å; Y125-I161 HydrophobicContact CE1-CG2 4.18Å; Y125-I161 HydrophobicContact CG-CG2 3.96Å; E157-I161 WeakPolarHBondContact O-CD1 3.15Å; E157-I161 WeakPolarHBondContact O-CG1 3.49Å; E157-I161 PolarHBondContact O-N 3Å; Y158-I161 PolarHBondContact O-N 2.92Å; Y158-I161 VanDerWaalsContact O-N 3.1Å; E159-I161 VanDerWaalsContact C-N 3.34Å; E159-I161 PolarHBondContact O-N 2.74Å |
| 162 | A | 94.3 | Very high | 96.1 | Very high | 18 Ų | 18 | 52.9 Ų | 52.9 | 15% | 0.149 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -86 | -19.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y125 Y158 K164 | Y125-A162 HydrophobicContact CD2-CB 3.62Å; Y125-A162 HydrophobicContact CE2-CB 3.91Å; Y158-A162 HydrophobicContact CD1-CB 4.11Å; Y158-A162 HydrophobicContact CE1-CB 3.66Å; Y158-A162 HydrophobicContact CE2-CB 4.44Å; Y158-A162 WeakPolarHBondContact O-CB 3.18Å; Y158-A162 PolarHBondContact O-N 3.28Å; A162-K164 HydrophobicContact CB-CB 4.31Å; A162-K164 PolarHBondContact O-N 3.11Å |
| 163 | N | 94.9 | Very high | 95.8 | Very high | 146 Ų | 146 | 52.1 Ų | 52.1 | 78% | 0.781 | 26% | 0.256 | S | S | * | . | S | Bend | trans | 52.4 | 34 | -167.1 | -59.8 | -72.2 | 0 | 0 | 0 | 112.4 | E159 | E159-N163 VanDerWaalsContact O-CA 3.27Å; E159-N163 WeakPolarHBondContact O-CA 3.33Å; E159-N163 PolarHBondContact O-N 3.27Å |
| 164 | K | 93.8 | Very high | 95.6 | Very high | 55 Ų | 55 | 48.2 Ų | 48.2 | 24% | 0.239 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -155.9 | 142.9 | -175.1 | -173.5 | 177 | 171.4 | -164.4 | 0 | 108.7 | E129 Y158 A162 D168 S172 | E129-K164 IonicContact OE1-NZ 3.51Å; E129-K164 PolarHBondContact OE1-NZ 2.97Å; Y158-K164 WeakPolarHBondContact CE1-O 3.39Å; A162-K164 HydrophobicContact CB-CB 4.31Å; A162-K164 PolarHBondContact O-N 3.11Å; K164-D168 WeakPolarHBondContact CE-O 3.5Å; K164-D168 HydrophobicContact CG-CB 3.96Å; K164-S172 PolarHBondContact NZ-OG 2.92Å |
| 165 | S | 96.3 | Very high | 95.4 | Very high | 24 Ų | 24 | 55.7 Ų | 55.7 | 17% | 0.168 | 28% | 0.277 | C | S | . | . | trans | -65.2 | 156.2 | 176.2 | 72.1 | 0 | 0 | 0 | 0 | 111.1 | E167 D168 S169 | S165-E167 WeakPolarHBondContact CB-OE2 3.37Å; S165-E167 PolarHBondContact O-N 3.22Å; S165-D168 PolarHBondContact O-N 2.89Å; S165-D168 VanDerWaalsContact OG-CB 3.31Å; S165-D168 WeakPolarHBondContact OG-CB 3.37Å; S165-D168 PolarHBondContact OG-N 3.32Å; S165-D168 PolarHBondContact OG-OD2 2.65Å; S165-S169 PolarHBondContact O-N 3.1Å; S165-S169 VanDerWaalsContact O-N 3.13Å; S165-S169 PolarHBondContact O-OG 3.1Å | ||
| 166 | I | 96.6 | Very high | 95.3 | Very high | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.015 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.6 | -33.8 | 175.3 | -172.2 | 60.9 | 0 | 0 | 0 | 110.7 | L124 F139 F155 Y158 S169 I170 V186 | L124-I166 HydrophobicContact CD1-CD1 4.16Å; F139-I166 HydrophobicContact CE1-CD1 3.86Å; F155-I166 HydrophobicContact CB-CG2 4.29Å; F155-I166 HydrophobicContact CD1-CB 4.17Å; F155-I166 HydrophobicContact CD1-CG1 4.1Å; F155-I166 HydrophobicContact CD1-CG2 3.79Å; F155-I166 HydrophobicContact CD2-CG2 4.45Å; F155-I166 HydrophobicContact CE1-CG1 4.19Å; F155-I166 HydrophobicContact CE1-CG2 4.23Å; F155-I166 HydrophobicContact CG-CG2 3.93Å; Y158-I166 HydrophobicContact CD1-CB 4.09Å; Y158-I166 HydrophobicContact CD1-CD1 4.1Å; Y158-I166 HydrophobicContact CD2-CD1 4.14Å; Y158-I166 HydrophobicContact CE1-CB 4.37Å; Y158-I166 HydrophobicContact CE1-CD1 4Å; Y158-I166 HydrophobicContact CE2-CD1 4Å; Y158-I166 HydrophobicContact CG-CD1 4.18Å; I166-S169 WeakPolarHBondContact O-CB 3.39Å; I166-S169 PolarHBondContact O-N 2.87Å; I166-I170 HydrophobicContact CG1-CD1 4.07Å; I166-I170 VanDerWaalsContact O-CG1 3.3Å; I166-I170 WeakPolarHBondContact O-CG1 3.27Å; I166-I170 PolarHBondContact O-N 2.65Å; I166-V186 HydrophobicContact CG2-CG1 3.86Å; I166-V186 HydrophobicContact CG2-CG2 4.32Å |
| 167 | E | 97.1 | Very high | 95.3 | Very high | 39 Ų | 39 | 54.2 Ų | 54.2 | 18% | 0.182 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65 | -46.1 | 177.4 | -61.9 | 92.7 | 140.9 | 0 | 0 | 112 | S165 S169 I170 K171 L183 V186 Q190 | S165-E167 WeakPolarHBondContact CB-OE2 3.37Å; S165-E167 PolarHBondContact O-N 3.22Å; E167-S169 PolarHBondContact O-N 3.13Å; E167-I170 PolarHBondContact O-N 2.9Å; E167-K171 VanDerWaalsContact O-CG 3.29Å; E167-K171 WeakPolarHBondContact O-CG 3.29Å; E167-K171 PolarHBondContact O-N 2.88Å; E167-L183 HydrophobicContact CB-CD2 3.89Å; E167-L183 HydrophobicContact CG-CD2 4.16Å; E167-V186 HydrophobicContact CG-CG1 3.9Å; E167-Q190 PolarHBondContact OE1-NE2 2.69Å; E167-Q190 PolarHBondContact OE1-OE1 2.91Å; E167-Q190 VanDerWaalsContact OE1-OE1 3.14Å |
| 168 | D | 95.3 | Very high | 95.2 | Very high | 76 Ų | 76 | 54.1 Ų | 54.1 | 41% | 0.406 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -69.2 | -27.4 | 178.5 | -63.3 | -33 | 0 | 0 | 0 | 111.5 | K164 S165 K171 S172 | K164-D168 WeakPolarHBondContact CE-O 3.5Å; K164-D168 HydrophobicContact CG-CB 3.96Å; S165-D168 PolarHBondContact O-N 2.89Å; S165-D168 VanDerWaalsContact OG-CB 3.31Å; S165-D168 WeakPolarHBondContact OG-CB 3.37Å; S165-D168 PolarHBondContact OG-N 3.32Å; S165-D168 PolarHBondContact OG-OD2 2.65Å; D168-K171 IonicContact OD1-NZ 2.86Å; D168-K171 PolarHBondContact OD1-NZ 3.07Å; D168-S172 PolarHBondContact O-N 3.39Å; D168-S172 PolarHBondContact O-OG 2.89Å |
| 169 | S | 94.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -70.1 | -47.3 | 173 | -53.2 | 0 | 0 | 0 | 0 | 110.7 | Y158 S165 I166 E167 K171 S172 E173 | Y158-S169 VanDerWaalsContact CE1-OG 3.28Å; Y158-S169 WeakPolarHBondContact CE1-OG 3.41Å; Y158-S169 WeakPolarHBondContact OH-CB 3.19Å; Y158-S169 PolarHBondContact OH-OG 2.48Å; S165-S169 PolarHBondContact O-N 3.1Å; S165-S169 VanDerWaalsContact O-N 3.13Å; S165-S169 PolarHBondContact O-OG 3.1Å; I166-S169 WeakPolarHBondContact O-CB 3.39Å; I166-S169 PolarHBondContact O-N 2.87Å; E167-S169 PolarHBondContact O-N 3.13Å; S169-K171 VanDerWaalsContact C-N 3.3Å; S169-K171 PolarHBondContact O-N 3.12Å; S169-S172 PolarHBondContact O-N 2.81Å; S169-S172 VanDerWaalsContact O-N 3.15Å; S169-S172 PolarHBondContact O-OG 2.73Å; S169-S172 VanDerWaalsContact O-OG 3.06Å; S169-E173 VanDerWaalsContact O-CB 3.28Å; S169-E173 WeakPolarHBondContact O-CB 3.07Å; S169-E173 VanDerWaalsContact O-CG 3.26Å; S169-E173 WeakPolarHBondContact O-CG 3.08Å; S169-E173 PolarHBondContact O-N 2.73Å |
| 170 | I | 94.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.8 | -43.9 | 174.8 | -70.5 | 161 | 0 | 0 | 0 | 111.2 | F139 I166 E167 S172 E173 T174 E179 M182 L183 V186 | F139-I170 HydrophobicContact CD1-CG1 4.32Å; F139-I170 HydrophobicContact CE1-CG1 4.12Å; I166-I170 HydrophobicContact CG1-CD1 4.07Å; I166-I170 VanDerWaalsContact O-CG1 3.3Å; I166-I170 WeakPolarHBondContact O-CG1 3.27Å; I166-I170 PolarHBondContact O-N 2.65Å; E167-I170 PolarHBondContact O-N 2.9Å; I170-S172 VanDerWaalsContact C-N 3.33Å; I170-S172 PolarHBondContact O-N 2.83Å; I170-E173 PolarHBondContact O-N 3.45Å; I170-T174 WeakPolarHBondContact CG2-OG1 3.42Å; I170-T174 PolarHBondContact O-N 2.67Å; I170-T174 PolarHBondContact O-OG1 3.32Å; I170-E179 HydrophobicContact CG2-CG 4.08Å; I170-M182 HydrophobicContact CD1-CB 4Å; I170-M182 HydrophobicContact CG1-CB 4.31Å; I170-M182 HydrophobicContact CG1-SD 4.41Å; I170-M182 HydrophobicContact CG2-CB 3.76Å; I170-M182 HydrophobicContact CG2-SD 4.34Å; I170-L183 HydrophobicContact CB-CD2 4.09Å; I170-L183 HydrophobicContact CD1-CD2 4.39Å; I170-L183 HydrophobicContact CG2-CD2 3.92Å; I170-L183 HydrophobicContact CG2-CG 3.84Å; I170-V186 HydrophobicContact CD1-CG2 3.73Å |
| 171 | K | 95.3 | Very high | 95.3 | Very high | 105 Ų | 105 | 48.6 Ų | 48.6 | 46% | 0.457 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66 | -28.8 | 178.9 | -70.6 | 170.3 | -166.8 | 158.8 | 0 | 114.5 | E167 D168 S169 L183 | E167-K171 VanDerWaalsContact O-CG 3.29Å; E167-K171 WeakPolarHBondContact O-CG 3.29Å; E167-K171 PolarHBondContact O-N 2.88Å; D168-K171 IonicContact OD1-NZ 2.86Å; D168-K171 PolarHBondContact OD1-NZ 3.07Å; S169-K171 VanDerWaalsContact C-N 3.3Å; S169-K171 PolarHBondContact O-N 3.12Å; K171-L183 HydrophobicContact CG-CD1 4.07Å; K171-L183 HydrophobicContact CG-CD2 4.46Å |
| 172 | S | 91.6 | Very high | 95.4 | Very high | 65 Ų | 65 | 46.2 Ų | 46.2 | 46% | 0.455 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -84.8 | -28 | 177.9 | 64.4 | 0 | 0 | 0 | 0 | 112.8 | K164 D168 S169 I170 | K164-S172 PolarHBondContact NZ-OG 2.92Å; D168-S172 PolarHBondContact O-N 3.39Å; D168-S172 PolarHBondContact O-OG 2.89Å; S169-S172 PolarHBondContact O-N 2.81Å; S169-S172 VanDerWaalsContact O-N 3.15Å; S169-S172 PolarHBondContact O-OG 2.73Å; S169-S172 VanDerWaalsContact O-OG 3.06Å; I170-S172 VanDerWaalsContact C-N 3.33Å; I170-S172 PolarHBondContact O-N 2.83Å |
| 173 | E | 89.3 | Confident | 95.6 | Very high | 50 Ų | 50 | 46.3 Ų | 46.3 | 23% | 0.234 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -96.6 | -30.3 | -171.9 | -70.5 | -47 | 122.8 | 0 | 0 | 113.4 | T134 S169 I170 | T134-E173 HydrophobicContact CG2-CB 3.84Å; T134-E173 HydrophobicContact CG2-CG 4.33Å; T134-E173 VanDerWaalsContact OG1-CB 3.3Å; T134-E173 WeakPolarHBondContact OG1-CB 3.23Å; T134-E173 PolarHBondContact OG1-O 3.43Å; T134-E173 VanDerWaalsContact OG1-O 3.12Å; T134-E173 PolarHBondContact OG1-OE2 3.37Å; S169-E173 VanDerWaalsContact O-CB 3.28Å; S169-E173 WeakPolarHBondContact O-CB 3.07Å; S169-E173 VanDerWaalsContact O-CG 3.26Å; S169-E173 WeakPolarHBondContact O-CG 3.08Å; S169-E173 PolarHBondContact O-N 2.73Å; I170-E173 PolarHBondContact O-N 3.45Å |
| 174 | T | 91.9 | Very high | 95.7 | Very high | 11 Ų | 11 | 39.7 Ų | 39.7 | 7% | 0.067 | 21% | 0.214 | C | C | . | . | trans | -122.1 | 166.4 | -176.5 | 67 | 0 | 0 | 0 | 0 | 111.4 | I170 L178 E179 M182 | I170-T174 WeakPolarHBondContact CG2-OG1 3.42Å; I170-T174 PolarHBondContact O-N 2.67Å; I170-T174 PolarHBondContact O-OG1 3.32Å; T174-L178 HydrophobicContact CG2-CD2 4.17Å; T174-E179 WeakPolarHBondContact OG1-CA 3.27Å; T174-E179 WeakPolarHBondContact OG1-CB 3.45Å; T174-M182 HydrophobicContact CG2-CE 4.41Å; T174-M182 HydrophobicContact CG2-SD 4.01Å | ||
| 175 | H | 93.9 | Very high | 95.9 | Very high | 156 Ų | 156 | 37.1 Ų | 37.1 | 72% | 0.722 | 20% | 0.203 | S | C | * | . | trans | -146.2 | 166.4 | 176.5 | 61 | -80.4 | 0 | 0 | 0 | 111.1 | E179 | H175-E179 WeakPolarHBondContact CA-OE2 3.46Š| ||
| 176 | G | 96.4 | Very high | 96 | Very high | 48 Ų | 48 | 36 Ų | 36 | 50% | 0.495 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | 62.8 | -142.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L178 E179 E180 | G176-L178 VanDerWaalsContact C-N 3.32Å; G176-L178 PolarHBondContact O-N 3.08Å; G176-E179 WeakPolarHBondContact O-CB 3.43Å; G176-E179 PolarHBondContact O-N 3.32Å; G176-E180 PolarHBondContact O-N 2.91Å; G176-E180 VanDerWaalsContact O-N 3.07Å |
| 177 | S | 97.1 | Very high | 96.1 | Very high | 32 Ų | 32 | 38.5 Ų | 38.5 | 22% | 0.224 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -73.2 | -24.6 | -170.4 | -50.8 | 0 | 0 | 0 | 0 | 113.6 | E51 I55 E180 A181 | E51-S177 WeakPolarHBondContact OE2-CB 3.25Å; E51-S177 PolarHBondContact OE2-OG 3.32Å; I55-S177 WeakPolarHBondContact CD1-O 3.15Å; S177-E180 PolarHBondContact O-N 3.16Å; S177-A181 WeakPolarHBondContact O-CB 3.27Å; S177-A181 PolarHBondContact O-N 2.88Å |
| 178 | L | 97.1 | Very high | 96.1 | Very high | 21 Ų | 21 | 37.2 Ų | 37.2 | 11% | 0.11 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.6 | -44.5 | 170.9 | -177.5 | 64 | 0 | 0 | 0 | 111 | Y92 I96 E136 I140 T174 G176 A181 M182 | Y92-L178 HydrophobicContact CD2-CD2 4.34Å; Y92-L178 HydrophobicContact CG-CD2 4.29Å; I96-L178 HydrophobicContact CG2-CD1 4.18Å; E136-L178 HydrophobicContact CB-CD2 4.22Å; E136-L178 HydrophobicContact CG-CD2 3.98Å; I140-L178 HydrophobicContact CD1-CD1 4.35Å; T174-L178 HydrophobicContact CG2-CD2 4.17Å; G176-L178 VanDerWaalsContact C-N 3.32Å; G176-L178 PolarHBondContact O-N 3.08Å; L178-A181 PolarHBondContact O-N 2.82Å; L178-M182 HydrophobicContact CD1-CE 3.89Å; L178-M182 HydrophobicContact CD2-CE 4.17Å; L178-M182 HydrophobicContact CG-CE 3.99Å; L178-M182 WeakPolarHBondContact O-CG 3.38Å; L178-M182 PolarHBondContact O-N 2.66Å |
| 179 | E | 97.7 | Very high | 96.1 | Very high | 51 Ų | 51 | 34.3 Ų | 34.3 | 24% | 0.238 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60 | -46.9 | 174.8 | -171.4 | -162.6 | 148.1 | 0 | 0 | 110.4 | I170 T174 H175 G176 A181 M182 L183 | I170-E179 HydrophobicContact CG2-CG 4.08Å; T174-E179 WeakPolarHBondContact OG1-CA 3.27Å; T174-E179 WeakPolarHBondContact OG1-CB 3.45Å; H175-E179 WeakPolarHBondContact CA-OE2 3.46Å; G176-E179 WeakPolarHBondContact O-CB 3.43Å; G176-E179 PolarHBondContact O-N 3.32Å; E179-A181 VanDerWaalsContact C-N 3.31Å; E179-A181 PolarHBondContact O-N 3.24Å; E179-M182 PolarHBondContact O-N 3.13Å; E179-L183 HydrophobicContact CG-CD1 3.94Å; E179-L183 HydrophobicContact CG-CG 4.38Å; E179-L183 WeakPolarHBondContact O-CB 3.48Å; E179-L183 WeakPolarHBondContact O-CG 3.33Å; E179-L183 PolarHBondContact O-N 3.43Å |
| 180 | E | 98.5 | Very high | 96.2 | Very high | 69 Ų | 69 | 38.2 Ų | 38.2 | 32% | 0.322 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58.6 | -42.6 | 176.6 | -175 | 173.7 | -178.8 | 0 | 0 | 111.5 | I55 G176 S177 T184 R199 | I55-E180 HydrophobicContact CD1-CB 4.18Å; I55-E180 HydrophobicContact CD1-CG 4.18Å; I55-E180 HydrophobicContact CG2-CG 4.37Å; G176-E180 PolarHBondContact O-N 2.91Å; G176-E180 VanDerWaalsContact O-N 3.07Å; S177-E180 PolarHBondContact O-N 3.16Å; E180-T184 WeakPolarHBondContact O-CB 3.45Å; E180-T184 PolarHBondContact O-N 2.96Å; E180-T184 PolarHBondContact O-OG1 2.91Å; E180-R199 IonicContact OE1-NH1 3.72Å; E180-R199 PolarHBondContact OE1-NH1 3.08Å |
| 181 | A | 98.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.3 | -50.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I55 L93 I96 S177 L178 E179 T184 V185 | I55-A181 HydrophobicContact CD1-CB 4.09Å; I55-A181 HydrophobicContact CG1-CB 4.03Å; I55-A181 HydrophobicContact CG2-CB 4.24Å; L93-A181 HydrophobicContact CD1-CB 4.17Å; I96-A181 HydrophobicContact CD1-CB 4.05Å; I96-A181 HydrophobicContact CG2-CB 3.79Å; S177-A181 WeakPolarHBondContact O-CB 3.27Å; S177-A181 PolarHBondContact O-N 2.88Å; L178-A181 PolarHBondContact O-N 2.82Å; E179-A181 VanDerWaalsContact C-N 3.31Å; E179-A181 PolarHBondContact O-N 3.24Å; A181-T184 PolarHBondContact O-N 3.44Å; A181-V185 WeakPolarHBondContact O-CG2 3.45Å; A181-V185 PolarHBondContact O-N 2.75Å |
| 182 | M | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.6 | -47.2 | 179.4 | -70.2 | -172.5 | 178.9 | 0 | 0 | 111.8 | I96 E136 F139 I140 L143 I170 T174 L178 E179 T184 V185 V186 | I96-M182 HydrophobicContact CD1-CG 3.9Å; E136-M182 HydrophobicContact CB-CE 4.48Å; F139-M182 HydrophobicContact CB-CE 3.51Å; F139-M182 HydrophobicContact CB-SD 4.02Å; F139-M182 HydrophobicContact CD1-SD 4.25Å; F139-M182 HydrophobicContact CG-CE 4.33Å; F139-M182 HydrophobicContact CG-SD 4.37Å; I140-M182 HydrophobicContact CG1-CE 3.95Å; L143-M182 HydrophobicContact CD1-CB 4.11Å; L143-M182 HydrophobicContact CD1-CG 4.03Å; I170-M182 HydrophobicContact CD1-CB 4Å; I170-M182 HydrophobicContact CG1-CB 4.31Å; I170-M182 HydrophobicContact CG1-SD 4.41Å; I170-M182 HydrophobicContact CG2-CB 3.76Å; I170-M182 HydrophobicContact CG2-SD 4.34Å; T174-M182 HydrophobicContact CG2-CE 4.41Å; T174-M182 HydrophobicContact CG2-SD 4.01Å; L178-M182 HydrophobicContact CD1-CE 3.89Å; L178-M182 HydrophobicContact CD2-CE 4.17Å; L178-M182 HydrophobicContact CG-CE 3.99Å; L178-M182 WeakPolarHBondContact O-CG 3.38Å; L178-M182 PolarHBondContact O-N 2.66Å; E179-M182 PolarHBondContact O-N 3.13Å; M182-T184 VanDerWaalsContact C-N 3.27Å; M182-T184 PolarHBondContact O-N 3.38Å; M182-V185 PolarHBondContact O-N 3.32Å; M182-V186 WeakPolarHBondContact O-CG2 3.49Å; M182-V186 PolarHBondContact O-N 3.11Å |
| 183 | L | 98.6 | Very high | 96.7 | Very high | 20 Ų | 20 | 37.3 Ų | 37.3 | 11% | 0.105 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.8 | -36.8 | 176.7 | -71.6 | 177.9 | 0 | 0 | 0 | 111.8 | E167 I170 K171 E179 V186 K187 | E167-L183 HydrophobicContact CB-CD2 3.89Å; E167-L183 HydrophobicContact CG-CD2 4.16Å; I170-L183 HydrophobicContact CB-CD2 4.09Å; I170-L183 HydrophobicContact CD1-CD2 4.39Å; I170-L183 HydrophobicContact CG2-CD2 3.92Å; I170-L183 HydrophobicContact CG2-CG 3.84Å; K171-L183 HydrophobicContact CG-CD1 4.07Å; K171-L183 HydrophobicContact CG-CD2 4.46Å; E179-L183 HydrophobicContact CG-CD1 3.94Å; E179-L183 HydrophobicContact CG-CG 4.38Å; E179-L183 WeakPolarHBondContact O-CB 3.48Å; E179-L183 WeakPolarHBondContact O-CG 3.33Å; E179-L183 PolarHBondContact O-N 3.43Å; L183-V186 PolarHBondContact O-N 2.97Å; L183-K187 WeakPolarHBondContact O-CB 3.21Å; L183-K187 VanDerWaalsContact O-CG 3.26Å; L183-K187 WeakPolarHBondContact O-CG 3.44Å; L183-K187 PolarHBondContact O-N 2.91Å |
| 184 | T | 98.6 | Very high | 97.2 | Very high | 8 Ų | 8 | 36.3 Ų | 36.3 | 5% | 0.049 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.7 | -43.9 | 177 | -63.1 | 0 | 0 | 0 | 0 | 111.3 | I55 A59 E180 A181 M182 K187 C188 Y195 | I55-T184 HydrophobicContact CG2-CG2 4.03Å; A59-T184 HydrophobicContact CB-CG2 3.48Å; A59-T184 VanDerWaalsContact CB-CG2 3.48Å; E180-T184 WeakPolarHBondContact O-CB 3.45Å; E180-T184 PolarHBondContact O-N 2.96Å; E180-T184 PolarHBondContact O-OG1 2.91Å; A181-T184 PolarHBondContact O-N 3.44Å; M182-T184 VanDerWaalsContact C-N 3.27Å; M182-T184 PolarHBondContact O-N 3.38Å; T184-K187 PolarHBondContact O-N 3.18Å; T184-C188 WeakPolarHBondContact O-CB 3.12Å; T184-C188 PolarHBondContact O-N 3.45Å; T184-C188 PolarHBondContact O-SG 2.83Å; T184-Y195 HydrophobicContact CG2-CD2 4.49Å; T184-Y195 HydrophobicContact CG2-CE1 4.47Å; T184-Y195 HydrophobicContact CG2-CE2 3.61Å; T184-Y195 WeakPolarHBondContact CG2-OH 3.33Å |
| 185 | V | 97.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.5 | -45.4 | 176.3 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | A59 L100 L143 A181 M182 C188 T189 | A59-V185 HydrophobicContact CB-CG2 3.85Å; L100-V185 HydrophobicContact CD1-CG2 4.01Å; L100-V185 HydrophobicContact CD2-CG2 3.91Å; L143-V185 HydrophobicContact CB-CG1 4.12Å; A181-V185 WeakPolarHBondContact O-CG2 3.45Å; A181-V185 PolarHBondContact O-N 2.75Å; M182-V185 PolarHBondContact O-N 3.32Å; V185-C188 PolarHBondContact O-N 3.1Å; V185-T189 WeakPolarHBondContact O-CB 3.43Å; V185-T189 PolarHBondContact O-N 3.18Å; V185-T189 PolarHBondContact O-OG1 3.12Å |
| 186 | V | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.6 | -51.2 | 177.1 | 172.9 | 0 | 0 | 0 | 0 | 111 | L143 F155 I166 E167 I170 M182 L183 C188 T189 Q190 | L143-V186 HydrophobicContact CD2-CG2 4.03Å; F155-V186 HydrophobicContact CE1-CG2 4.36Å; F155-V186 HydrophobicContact CE2-CG1 4.08Å; F155-V186 HydrophobicContact CE2-CG2 4.43Å; F155-V186 HydrophobicContact CZ-CB 4.45Å; F155-V186 HydrophobicContact CZ-CG1 4.36Å; F155-V186 HydrophobicContact CZ-CG2 3.9Å; I166-V186 HydrophobicContact CG2-CG1 3.86Å; I166-V186 HydrophobicContact CG2-CG2 4.32Å; E167-V186 HydrophobicContact CG-CG1 3.9Å; I170-V186 HydrophobicContact CD1-CG2 3.73Å; M182-V186 WeakPolarHBondContact O-CG2 3.49Å; M182-V186 PolarHBondContact O-N 3.11Å; L183-V186 PolarHBondContact O-N 2.97Å; V186-C188 PolarHBondContact O-N 3.39Å; V186-T189 WeakPolarHBondContact O-CB 3.33Å; V186-T189 PolarHBondContact O-N 3.36Å; V186-T189 VanDerWaalsContact O-N 3.12Å; V186-Q190 HydrophobicContact CG1-CG 4.4Å; V186-Q190 WeakPolarHBondContact O-CG 3.23Å; V186-Q190 PolarHBondContact O-N 2.9Å |
| 187 | K | 98.3 | Very high | 97.9 | Very high | 56 Ų | 56 | 26.4 Ų | 26.4 | 24% | 0.243 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.1 | -42.7 | -179.9 | -72.4 | 179 | -176.2 | -166.6 | 0 | 112.6 | L183 T184 T189 Q190 N191 Y195 E198 | L183-K187 WeakPolarHBondContact O-CB 3.21Å; L183-K187 VanDerWaalsContact O-CG 3.26Å; L183-K187 WeakPolarHBondContact O-CG 3.44Å; L183-K187 PolarHBondContact O-N 2.91Å; T184-K187 PolarHBondContact O-N 3.18Å; K187-T189 VanDerWaalsContact C-N 3.28Å; K187-T189 PolarHBondContact O-N 3.42Å; K187-Q190 PolarHBondContact O-N 3.2Å; K187-N191 CarbonylContact O-C 3.54Å; K187-N191 PolarHBondContact O-N 3.2Å; K187-Y195 HydrophobicContact CB-CD2 3.96Å; K187-Y195 HydrophobicContact CD-CD2 4.29Å; K187-E198 IonicContact NZ-OE1 2.69Å; K187-E198 PolarHBondContact NZ-OE1 2.77Å; K187-E198 IonicContact NZ-OE2 3.2Å; K187-E198 PolarHBondContact NZ-OE2 3.07Å |
| 188 | C | 97.2 | Very high | 97.9 | Very high | 13 Ų | 13 | 27 Ų | 27 | 9% | 0.088 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.4 | -35.3 | 176.9 | -69.5 | 0 | 0 | 0 | 0 | 111.9 | T184 V185 V186 L192 | T184-C188 WeakPolarHBondContact O-CB 3.12Å; T184-C188 PolarHBondContact O-N 3.45Å; T184-C188 PolarHBondContact O-SG 2.83Å; V185-C188 PolarHBondContact O-N 3.1Å; V186-C188 PolarHBondContact O-N 3.39Å; C188-L192 HydrophobicContact CB-CD1 4.06Å; C188-L192 PolarHBondContact O-N 3.25Å |
| 189 | T | 95.3 | Very high | 98 | Very high | 14 Ų | 14 | 27.4 Ų | 27.4 | 9% | 0.086 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -70.4 | -40.9 | 177.2 | -58.2 | 0 | 0 | 0 | 0 | 112 | A148 L151 L152 F155 V185 V186 K187 | A148-T189 HydrophobicContact CB-CG2 4.05Å; L151-T189 HydrophobicContact CB-CG2 3.76Å; L151-T189 HydrophobicContact CD1-CG2 4.29Å; L152-T189 HydrophobicContact CD2-CG2 4.36Å; L152-T189 HydrophobicContact CG-CG2 4.23Å; F155-T189 HydrophobicContact CE2-CG2 3.98Å; V185-T189 WeakPolarHBondContact O-CB 3.43Å; V185-T189 PolarHBondContact O-N 3.18Å; V185-T189 PolarHBondContact O-OG1 3.12Å; V186-T189 WeakPolarHBondContact O-CB 3.33Å; V186-T189 PolarHBondContact O-N 3.36Å; V186-T189 VanDerWaalsContact O-N 3.12Å; K187-T189 VanDerWaalsContact C-N 3.28Å; K187-T189 PolarHBondContact O-N 3.42Å |
| 190 | Q | 96.3 | Very high | 98.1 | Very high | 82 Ų | 82 | 25 Ų | 25 | 38% | 0.383 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -70.9 | -52.1 | 178.3 | -72.2 | 170.7 | -29.5 | 0 | 0 | 112.6 | L152 F155 E167 V186 K187 | L152-Q190 HydrophobicContact CD2-CG 4.28Å; F155-Q190 HydrophobicContact CD2-CG 4.45Å; E167-Q190 PolarHBondContact OE1-NE2 2.69Å; E167-Q190 PolarHBondContact OE1-OE1 2.91Å; E167-Q190 VanDerWaalsContact OE1-OE1 3.14Å; V186-Q190 HydrophobicContact CG1-CG 4.4Å; V186-Q190 WeakPolarHBondContact O-CG 3.23Å; V186-Q190 PolarHBondContact O-N 2.9Å; K187-Q190 PolarHBondContact O-N 3.2Å |
| 191 | N | 97.5 | Very high | 98.1 | Very high | 53 Ų | 53 | 23.9 Ų | 23.9 | 28% | 0.283 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -162.3 | 100.4 | 179.3 | -166.8 | -49.2 | 0 | 0 | 0 | 111.4 | K187 H193 S194 Y195 H232 | K187-N191 CarbonylContact O-C 3.54Å; K187-N191 PolarHBondContact O-N 3.2Å; N191-H193 VanDerWaalsContact C-N 3.29Å; N191-H193 PolarHBondContact O-N 3.22Å; N191-H193 PolarHBondContact OD1-N 2.94Å; N191-H193 VanDerWaalsContact OD1-N 3.07Å; N191-S194 PolarHBondContact O-N 3.38Å; N191-S194 PolarHBondContact OD1-N 2.99Å; N191-S194 PolarHBondContact OD1-OG 3.48Å; N191-Y195 PolarHBondContact O-N 3.01Å; N191-H232 PolarHBondContact ND2-CE1 3.16Å; N191-H232 VanDerWaalsContact ND2-CE1 3.27Å |
| 192 | L | 97.7 | Very high | 98.1 | Very high | 45 Ų | 45 | 29.5 Ų | 29.5 | 24% | 0.236 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.8 | -37.7 | 178.9 | -171.8 | 63.3 | 0 | 0 | 0 | 113.4 | C188 Y195 F196 | C188-L192 HydrophobicContact CB-CD1 4.06Å; C188-L192 PolarHBondContact O-N 3.25Å; L192-Y195 WeakPolarHBondContact O-CB 3.31Å; L192-Y195 PolarHBondContact O-N 2.85Å; L192-F196 HydrophobicContact CD1-CD2 4.19Å; L192-F196 HydrophobicContact CD1-CE2 3.62Å; L192-F196 HydrophobicContact CD1-CZ 4.39Å; L192-F196 HydrophobicContact CD2-CE2 4.35Å; L192-F196 HydrophobicContact CG-CD2 4.08Å; L192-F196 HydrophobicContact CG-CE2 3.78Å; L192-F196 VanDerWaalsContact O-CD2 3.27Å; L192-F196 WeakPolarHBondContact O-CD2 3.47Å; L192-F196 PolarHBondContact O-N 3.07Å; L192-F196 VanDerWaalsContact O-N 3.13Å |
| 193 | H | 98.6 | Very high | 98.1 | Very high | 54 Ų | 54 | 29.6 Ų | 29.6 | 25% | 0.25 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -72 | -40.6 | -178.2 | -43.3 | -52.3 | 0 | 0 | 0 | 111.6 | N191 Y195 F196 A197 D225 L228 I229 | N191-H193 VanDerWaalsContact C-N 3.29Å; N191-H193 PolarHBondContact O-N 3.22Å; N191-H193 PolarHBondContact OD1-N 2.94Å; N191-H193 VanDerWaalsContact OD1-N 3.07Å; H193-Y195 VanDerWaalsContact C-N 3.32Å; H193-F196 PolarHBondContact O-N 3.44Å; H193-A197 WeakPolarHBondContact O-CB 3.44Å; H193-A197 PolarHBondContact O-N 3.34Å; H193-D225 IonicContact CE1-OD2 2.83Å; H193-D225 PolarHBondContact CE1-OD2 3.3Å; H193-D225 VanDerWaalsContact CE1-OD2 3.28Å; H193-D225 IonicContact ND1-OD2 2.77Å; H193-D225 PolarHBondContact ND1-OD2 2.79Å; H193-L228 HydrophobicContact CB-CB 4.24Å; H193-I229 HydrophobicContact CB-CG1 4.31Å |
| 194 | S | 98.6 | Very high | 98.1 | Very high | 29 Ų | 29 | 28.7 Ų | 28.7 | 20% | 0.203 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.3 | -39.7 | 171.7 | -66 | 0 | 0 | 0 | 0 | 111.6 | N191 A197 E198 H232 | N191-S194 PolarHBondContact O-N 3.38Å; N191-S194 PolarHBondContact OD1-N 2.99Å; N191-S194 PolarHBondContact OD1-OG 3.48Å; S194-A197 PolarHBondContact O-N 2.9Å; S194-E198 WeakPolarHBondContact O-CB 3.45Å; S194-E198 PolarHBondContact O-N 3.41Å; S194-H232 PolarHBondContact OG-CE1 3.42Å; S194-H232 PolarHBondContact OG-ND1 2.79Å |
| 195 | Y | 98.8 | Very high | 98 | Very high | 6 Ų | 6 | 33.2 Ų | 33.2 | 2% | 0.024 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.8 | -50.8 | 175.7 | 167.5 | -101.2 | 0 | 0 | 0 | 111.5 | E56 T184 K187 N191 L192 H193 A197 E198 R199 | E56-Y195 HydrophobicContact CG-CE1 4.34Å; E56-Y195 WeakPolarHBondContact CG-OH 3.46Å; T184-Y195 HydrophobicContact CG2-CD2 4.49Å; T184-Y195 HydrophobicContact CG2-CE1 4.47Å; T184-Y195 HydrophobicContact CG2-CE2 3.61Å; T184-Y195 WeakPolarHBondContact CG2-OH 3.33Å; K187-Y195 HydrophobicContact CB-CD2 3.96Å; K187-Y195 HydrophobicContact CD-CD2 4.29Å; N191-Y195 PolarHBondContact O-N 3.01Å; L192-Y195 WeakPolarHBondContact O-CB 3.31Å; L192-Y195 PolarHBondContact O-N 2.85Å; H193-Y195 VanDerWaalsContact C-N 3.32Å; Y195-A197 VanDerWaalsContact C-N 3.34Å; Y195-A197 PolarHBondContact O-N 2.97Å; Y195-E198 WeakPolarHBondContact O-CB 3.49Å; Y195-E198 PolarHBondContact O-N 3Å; Y195-R199 HydrophobicContact CD1-CG 4.38Å; Y195-R199 HydrophobicContact CD2-CG 4.26Å; Y195-R199 HydrophobicContact CE1-CG 3.86Å; Y195-R199 HydrophobicContact CE2-CG 3.73Å; Y195-R199 WeakPolarHBondContact O-CG 3.37Å; Y195-R199 PolarHBondContact O-N 3.16Å |
| 196 | F | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.4 | -35.6 | 178.4 | -75.8 | -60.3 | 0 | 0 | 0 | 112.8 | L192 H193 E198 R199 L200 N217 R221 I229 | L192-F196 HydrophobicContact CD1-CD2 4.19Å; L192-F196 HydrophobicContact CD1-CE2 3.62Å; L192-F196 HydrophobicContact CD1-CZ 4.39Å; L192-F196 HydrophobicContact CD2-CE2 4.35Å; L192-F196 HydrophobicContact CG-CD2 4.08Å; L192-F196 HydrophobicContact CG-CE2 3.78Å; L192-F196 VanDerWaalsContact O-CD2 3.27Å; L192-F196 WeakPolarHBondContact O-CD2 3.47Å; L192-F196 PolarHBondContact O-N 3.07Å; L192-F196 VanDerWaalsContact O-N 3.13Å; H193-F196 PolarHBondContact O-N 3.44Å; F196-E198 VanDerWaalsContact C-N 3.29Å; F196-E198 PolarHBondContact O-N 3.31Å; F196-R199 PolarHBondContact O-N 3.3Å; F196-L200 WeakPolarHBondContact O-CB 3.36Å; F196-L200 VanDerWaalsContact O-CG 3.28Å; F196-L200 WeakPolarHBondContact O-CG 3.49Å; F196-L200 PolarHBondContact O-N 3.05Å; F196-N217 HydrophobicContact CD1-CB 4.46Å; F196-N217 WeakPolarHBondContact CD1-OD1 3.49Å; F196-N217 WeakPolarHBondContact CE1-OD1 3.3Å; F196-R221 HydrophobicContact CD1-CG 4.36Å; F196-R221 HydrophobicContact CD2-CG 4.29Å; F196-R221 HydrophobicContact CE1-CG 4.39Å; F196-R221 HydrophobicContact CE2-CG 4.32Å; F196-R221 HydrophobicContact CG-CG 4.31Å; F196-R221 HydrophobicContact CZ-CG 4.37Å; F196-I229 HydrophobicContact CB-CD1 3.56Å; F196-I229 HydrophobicContact CB-CG1 3.89Å; F196-I229 HydrophobicContact CB-CG2 4.21Å; F196-I229 HydrophobicContact CD2-CD1 4.09Å; F196-I229 HydrophobicContact CG-CD1 4.04Å |
| 197 | A | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.6 | -42.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | H193 S194 Y195 L200 Y201 I229 H232 F233 M236 | H193-A197 WeakPolarHBondContact O-CB 3.44Å; H193-A197 PolarHBondContact O-N 3.34Å; S194-A197 PolarHBondContact O-N 2.9Å; Y195-A197 VanDerWaalsContact C-N 3.34Å; Y195-A197 PolarHBondContact O-N 2.97Å; A197-L200 PolarHBondContact O-N 2.78Å; A197-Y201 WeakPolarHBondContact O-CB 3.25Å; A197-Y201 PolarHBondContact O-N 3.48Å; A197-I229 HydrophobicContact CB-CG2 4.19Å; A197-H232 HydrophobicContact CB-CB 4.06Å; A197-F233 HydrophobicContact CB-CB 3.96Å; A197-F233 HydrophobicContact CB-CD2 4.25Å; A197-F233 WeakPolarHBondContact O-CD2 3.34Å; A197-M236 HydrophobicContact CB-SD 4.18Å |
| 198 | E | 98.8 | Very high | 97.4 | Very high | 44 Ų | 44 | 41.6 Ų | 41.6 | 21% | 0.206 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.7 | -44 | 176.2 | -164.4 | -162.5 | 103.6 | 0 | 0 | 112.4 | K187 S194 Y195 F196 L200 Y201 Y202 M236 Y237 | K187-E198 IonicContact NZ-OE1 2.69Å; K187-E198 PolarHBondContact NZ-OE1 2.77Å; K187-E198 IonicContact NZ-OE2 3.2Å; K187-E198 PolarHBondContact NZ-OE2 3.07Å; S194-E198 WeakPolarHBondContact O-CB 3.45Å; S194-E198 PolarHBondContact O-N 3.41Å; Y195-E198 WeakPolarHBondContact O-CB 3.49Å; Y195-E198 PolarHBondContact O-N 3Å; F196-E198 VanDerWaalsContact C-N 3.29Å; F196-E198 PolarHBondContact O-N 3.31Å; E198-L200 PolarHBondContact O-N 2.94Å; E198-Y201 WeakPolarHBondContact O-CB 3.37Å; E198-Y201 PolarHBondContact O-N 3.18Å; E198-Y202 HydrophobicContact CG-CD2 3.75Å; E198-Y202 HydrophobicContact CG-CE2 3.6Å; E198-Y202 WeakPolarHBondContact O-CD2 3.28Å; E198-Y202 PolarHBondContact O-N 3.46Å; E198-M236 HydrophobicContact CB-CE 4.26Å; E198-Y237 VanDerWaalsContact CA-OH 3.3Å; E198-Y237 WeakPolarHBondContact CA-OH 3.38Å; E198-Y237 WeakPolarHBondContact CG-OH 3.43Å |
| 199 | R | 98.7 | Very high | 97.4 | Very high | 31 Ų | 31 | 42.4 Ų | 42.4 | 12% | 0.117 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.9 | -43.7 | 176.7 | -71.7 | -66.5 | -67.1 | -174.5 | -10.8 | 112.2 | E56 E180 Y195 F196 Y201 Y202 A203 | E56-R199 IonicContact OE2-CZ 2.79Å; E56-R199 VanDerWaalsContact OE2-CZ 3.23Å; E56-R199 IonicContact OE2-NE 2.59Å; E56-R199 PolarHBondContact OE2-NE 3.34Å; E56-R199 IonicContact OE2-NH2 3.02Å; E56-R199 PolarHBondContact OE2-NH2 3.05Å; E180-R199 IonicContact OE1-NH1 3.72Å; E180-R199 PolarHBondContact OE1-NH1 3.08Å; Y195-R199 HydrophobicContact CD1-CG 4.38Å; Y195-R199 HydrophobicContact CD2-CG 4.26Å; Y195-R199 HydrophobicContact CE1-CG 3.86Å; Y195-R199 HydrophobicContact CE2-CG 3.73Å; Y195-R199 WeakPolarHBondContact O-CG 3.37Å; Y195-R199 PolarHBondContact O-N 3.16Å; F196-R199 PolarHBondContact O-N 3.3Å; R199-Y201 VanDerWaalsContact C-N 3.33Å; R199-Y202 PolarHBondContact O-N 2.86Å; R199-A203 WeakPolarHBondContact O-CB 3.48Å; R199-A203 PolarHBondContact O-N 3.29Å |
| 200 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 175.8 | -70.5 | 169.7 | 0 | 0 | 0 | 111.4 | F196 A197 E198 A203 M204 L214 N217 I218 I229 F233 L241 | F196-L200 WeakPolarHBondContact O-CB 3.36Å; F196-L200 VanDerWaalsContact O-CG 3.28Å; F196-L200 WeakPolarHBondContact O-CG 3.49Å; F196-L200 PolarHBondContact O-N 3.05Å; A197-L200 PolarHBondContact O-N 2.78Å; E198-L200 PolarHBondContact O-N 2.94Å; L200-A203 WeakPolarHBondContact O-CB 3.49Å; L200-A203 PolarHBondContact O-N 2.95Å; L200-M204 VanDerWaalsContact O-CE 3.31Å; L200-M204 WeakPolarHBondContact O-CE 3.43Å; L200-M204 PolarHBondContact O-N 2.92Å; L200-L214 HydrophobicContact CD2-CD1 3.71Å; L200-N217 HydrophobicContact CD2-CB 3.78Å; L200-N217 HydrophobicContact CG-CB 4.3Å; L200-I218 HydrophobicContact CD2-CD1 4.35Å; L200-I218 HydrophobicContact CD2-CG1 3.85Å; L200-I229 HydrophobicContact CD1-CG2 3.64Å; L200-F233 HydrophobicContact CB-CD2 4.39Å; L200-F233 HydrophobicContact CB-CE2 4.17Å; L200-L241 HydrophobicContact CB-CD1 4.08Å; L200-L241 HydrophobicContact CD1-CD1 4.03Å; L200-L241 HydrophobicContact CD1-CD2 3.91Å |
| 201 | Y | 98.8 | Very high | 97.7 | Very high | 46 Ų | 46 | 46.7 Ų | 46.7 | 18% | 0.18 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.4 | -51.4 | 177.5 | 177.3 | -102.5 | 0 | 0 | 0 | 111.3 | A197 E198 R199 A203 M204 K205 F233 Y237 M244 | A197-Y201 WeakPolarHBondContact O-CB 3.25Å; A197-Y201 PolarHBondContact O-N 3.48Å; E198-Y201 WeakPolarHBondContact O-CB 3.37Å; E198-Y201 PolarHBondContact O-N 3.18Å; R199-Y201 VanDerWaalsContact C-N 3.33Å; Y201-A203 PolarHBondContact O-N 3.5Å; Y201-M204 CarbonylContact O-C 3.36Å; Y201-M204 PolarHBondContact O-N 3.32Å; Y201-M204 VanDerWaalsContact O-N 3.08Å; Y201-K205 HydrophobicContact CD1-CB 4.34Å; Y201-K205 HydrophobicContact CD1-CD 4.28Å; Y201-K205 HydrophobicContact CE1-CB 4.11Å; Y201-K205 HydrophobicContact CE1-CD 3.46Å; Y201-K205 VanDerWaalsContact CE1-CD 3.46Å; Y201-K205 HydrophobicContact CE1-CG 3.94Å; Y201-K205 VanDerWaalsContact O-CB 3.29Å; Y201-K205 WeakPolarHBondContact O-CB 3.4Å; Y201-K205 PolarHBondContact O-N 3.47Å; Y201-K205 WeakPolarHBondContact OH-CE 3.49Å; Y201-F233 HydrophobicContact CD2-CE2 4.48Å; Y201-F233 HydrophobicContact CD2-CZ 4.16Å; Y201-Y237 HydrophobicContact CD1-CD1 4.13Å; Y201-Y237 AromaticContact CD1-CE1 3.54Å; Y201-Y237 HydrophobicContact CD1-CE1 3.54Å; Y201-Y237 HydrophobicContact CD1-CE2 4.31Å; Y201-Y237 AromaticContact CD1-CZ 3.64Å; Y201-Y237 AromaticContact CD2-CD1 3.71Å; Y201-Y237 HydrophobicContact CD2-CD1 3.71Å; Y201-Y237 AromaticContact CD2-CD2 3.79Å; Y201-Y237 HydrophobicContact CD2-CD2 3.79Å; Y201-Y237 AromaticContact CD2-CE1 3.92Å; Y201-Y237 HydrophobicContact CD2-CE1 3.92Å; Y201-Y237 AromaticContact CD2-CE2 4Å; Y201-Y237 HydrophobicContact CD2-CE2 4Å; Y201-Y237 AromaticContact CD2-CG 3.65Å; Y201-Y237 HydrophobicContact CD2-CG 3.65Å; Y201-Y237 HydrophobicContact CE1-CD1 4.1Å; Y201-Y237 AromaticContact CE1-CE1 3.75Å; Y201-Y237 HydrophobicContact CE1-CE1 3.75Å; Y201-Y237 AromaticContact CE2-CD1 3.73Å; Y201-Y237 HydrophobicContact CE2-CD1 3.73Å; Y201-Y237 HydrophobicContact CE2-CE1 4.15Å; Y201-Y237 AromaticContact CE2-CG 3.95Å; Y201-Y237 HydrophobicContact CE2-CG 3.95Å; Y201-Y237 AromaticContact CG-CD1 3.93Å; Y201-Y237 HydrophobicContact CG-CD1 3.93Å; Y201-Y237 AromaticContact CG-CD2 3.96Å; Y201-Y237 HydrophobicContact CG-CD2 3.96Å; Y201-Y237 AromaticContact CG-CE1 3.62Å; Y201-Y237 HydrophobicContact CG-CE1 3.62Å; Y201-Y237 AromaticContact CG-CE2 3.66Å; Y201-Y237 HydrophobicContact CG-CE2 3.66Å; Y201-Y237 HydrophobicContact CG-CG 4.1Å; Y201-Y237 AromaticContact CG-CZ 3.46Å; Y201-Y237 VanDerWaalsContact CG-CZ 3.46Å; Y201-Y237 AromaticContact CZ-CD1 3.94Å; Y201-M244 HydrophobicContact CD2-CE 3.85Å; Y201-M244 HydrophobicContact CD2-SD 3.64Å; Y201-M244 HydrophobicContact CE2-CE 3.92Å; Y201-M244 HydrophobicContact CE2-SD 4.08Å |
| 202 | Y | 98.4 | Very high | 97.7 | Very high | 118 Ų | 118 | 45 Ų | 45 | 46% | 0.463 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -70.2 | -16.4 | 178.3 | -74.9 | -66.1 | 0 | 0 | 0 | 114.1 | E198 R199 M204 K205 | E198-Y202 HydrophobicContact CG-CD2 3.75Å; E198-Y202 HydrophobicContact CG-CE2 3.6Å; E198-Y202 WeakPolarHBondContact O-CD2 3.28Å; E198-Y202 PolarHBondContact O-N 3.46Å; R199-Y202 PolarHBondContact O-N 2.86Å; Y202-M204 VanDerWaalsContact C-N 3.28Å; Y202-K205 HydrophobicContact CD1-CB 4.37Å; Y202-K205 HydrophobicContact CD1-CD 3.85Å; Y202-K205 HydrophobicContact CE1-CD 3.74Å |
| 203 | A | 98.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 2% | 0.017 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.8 | -27.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R199 L200 Y201 T209 R210 T213 L214 | R199-A203 WeakPolarHBondContact O-CB 3.48Å; R199-A203 PolarHBondContact O-N 3.29Å; L200-A203 WeakPolarHBondContact O-CB 3.49Å; L200-A203 PolarHBondContact O-N 2.95Å; Y201-A203 PolarHBondContact O-N 3.5Å; A203-T209 CarbonylContact O-C 3.54Å; A203-T209 WeakPolarHBondContact O-CA 3.3Å; A203-T209 WeakPolarHBondContact O-CG2 3.35Å; A203-R210 HydrophobicContact CB-CB 4.3Å; A203-R210 PolarHBondContact O-N 3.44Å; A203-T213 HydrophobicContact CB-CG2 3.97Å; A203-L214 HydrophobicContact CB-CB 4.27Å |
| 204 | M | 98.5 | Very high | 97.7 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -110.8 | -11.3 | -179.5 | -65.3 | 178.8 | -71 | 0 | 0 | 112.9 | L200 Y201 Y202 G206 T209 L214 F233 L241 M244 I245 D248 | L200-M204 VanDerWaalsContact O-CE 3.31Å; L200-M204 WeakPolarHBondContact O-CE 3.43Å; L200-M204 PolarHBondContact O-N 2.92Å; Y201-M204 CarbonylContact O-C 3.36Å; Y201-M204 PolarHBondContact O-N 3.32Å; Y201-M204 VanDerWaalsContact O-N 3.08Å; Y202-M204 VanDerWaalsContact C-N 3.28Å; M204-G206 PolarHBondContact O-N 2.95Å; M204-T209 HydrophobicContact CG-CG2 4.05Å; M204-L214 HydrophobicContact CE-CD1 4.18Å; M204-L214 HydrophobicContact CG-CD1 4.34Å; M204-L214 HydrophobicContact CG-CD2 4.06Å; M204-L214 HydrophobicContact SD-CD1 4.04Å; M204-L214 HydrophobicContact SD-CD2 4.07Å; M204-F233 HydrophobicContact CE-CE2 4.48Å; M204-F233 HydrophobicContact CE-CZ 4.36Å; M204-L241 HydrophobicContact CE-CD1 3.77Å; M204-M244 HydrophobicContact CB-CE 3.54Å; M204-M244 HydrophobicContact CB-CG 4Å; M204-M244 HydrophobicContact CB-SD 4.01Å; M204-M244 HydrophobicContact CE-CB 3.95Å; M204-M244 HydrophobicContact CE-CG 3.86Å; M204-M244 HydrophobicContact CE-SD 3.92Å; M204-M244 HydrophobicContact SD-CB 4.25Å; M204-M244 HydrophobicContact SD-CG 4Å; M204-I245 HydrophobicContact CE-CG1 4.23Å; M204-I245 HydrophobicContact SD-CB 4.48Å; M204-I245 HydrophobicContact SD-CG1 3.73Å; M204-D248 VanDerWaalsContact CA-OD2 3.28Å; M204-D248 WeakPolarHBondContact CA-OD2 3.37Å; M204-D248 HydrophobicContact CB-CB 4.17Å; M204-D248 WeakPolarHBondContact CB-OD2 3.42Å; M204-D248 HydrophobicContact CG-CB 4.14Å; M204-D248 HydrophobicContact SD-CB 4.35Å |
| 205 | K | 97.1 | Very high | 97.8 | Very high | 103 Ų | 103 | 40 Ų | 40 | 45% | 0.448 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -77.7 | 123.2 | -179.4 | -168.3 | -159.4 | -164.3 | 175.3 | 0 | 110.6 | Y201 Y202 M244 | Y201-K205 HydrophobicContact CD1-CB 4.34Å; Y201-K205 HydrophobicContact CD1-CD 4.28Å; Y201-K205 HydrophobicContact CE1-CB 4.11Å; Y201-K205 HydrophobicContact CE1-CD 3.46Å; Y201-K205 VanDerWaalsContact CE1-CD 3.46Å; Y201-K205 HydrophobicContact CE1-CG 3.94Å; Y201-K205 VanDerWaalsContact O-CB 3.29Å; Y201-K205 WeakPolarHBondContact O-CB 3.4Å; Y201-K205 PolarHBondContact O-N 3.47Å; Y201-K205 WeakPolarHBondContact OH-CE 3.49Å; Y202-K205 HydrophobicContact CD1-CB 4.37Å; Y202-K205 HydrophobicContact CD1-CD 3.85Å; Y202-K205 HydrophobicContact CE1-CD 3.74Å; K205-M244 HydrophobicContact CB-CE 4.26Å |
| 206 | G | 94.3 | Very high | 97.8 | Very high | 63 Ų | 63 | 39.9 Ų | 39.9 | 65% | 0.649 | 23% | 0.23 | S | C | * | . | S | Bend | trans | 110 | -147.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | M204 G208 | M204-G206 PolarHBondContact O-N 2.95Å; G206-G208 PolarHBondContact O-N 3.22Å |
| 207 | A | 92.2 | Very high | 97.8 | Very high | 115 Ų | 115 | 39.9 Ų | 39.9 | 95% | 0.95 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -83.9 | 110.7 | -179 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 208 | G | 94.4 | Very high | 97.7 | Very high | 54 Ų | 54 | 39.9 Ų | 39.9 | 56% | 0.557 | 23% | 0.23 | S | C | * | . | S | Bend | trans | 75.2 | -170.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | G206 | G206-G208 PolarHBondContact O-N 3.22Š|
| 209 | T | 97.3 | Very high | 97.7 | Very high | 30 Ų | 30 | 38.5 Ų | 38.5 | 18% | 0.184 | 23% | 0.225 | C | C | . | . | trans | -130.9 | 136.4 | -171.4 | -45.9 | 0 | 0 | 0 | 0 | 110.3 | A203 M204 D211 L214 D248 | A203-T209 CarbonylContact O-C 3.54Å; A203-T209 WeakPolarHBondContact O-CA 3.3Å; A203-T209 WeakPolarHBondContact O-CG2 3.35Å; M204-T209 HydrophobicContact CG-CG2 4.05Å; T209-D211 VanDerWaalsContact C-N 3.26Å; T209-D211 PolarHBondContact O-N 3.42Å; T209-L214 HydrophobicContact CG2-CD2 3.97Å; T209-D248 PolarHBondContact OG1-OD2 2.98Å | ||
| 210 | R | 97.9 | Very high | 97.7 | Very high | 167 Ų | 167 | 37.8 Ų | 37.8 | 63% | 0.63 | 23% | 0.225 | S | C | * | . | trans | -82.2 | 72.2 | 169.4 | -63.8 | -176.5 | 175.4 | -174 | -1.3 | 109.5 | A203 G212 T213 L214 | A203-R210 HydrophobicContact CB-CB 4.3Å; A203-R210 PolarHBondContact O-N 3.44Å; R210-G212 PolarHBondContact O-N 2.96Å; R210-G212 VanDerWaalsContact O-N 3.12Å; R210-T213 WeakPolarHBondContact O-CB 3.22Å; R210-T213 PolarHBondContact O-N 3.39Å; R210-L214 PolarHBondContact O-N 2.97Å | ||
| 211 | D | 98.3 | Very high | 97.7 | Very high | 18 Ų | 18 | 38.1 Ų | 38.1 | 10% | 0.096 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.1 | -32.9 | -171.8 | -62 | -77.2 | 0 | 0 | 0 | 114 | K20 T209 T213 L214 I215 Y253 | K20-D211 HydrophobicContact CD-CB 4.49Å; K20-D211 WeakPolarHBondContact CD-OD1 3.47Å; K20-D211 VanDerWaalsContact CE-CG 3.46Å; K20-D211 WeakPolarHBondContact CE-OD2 3.33Å; K20-D211 IonicContact NZ-OD1 3.02Å; K20-D211 PolarHBondContact NZ-OD1 2.82Å; K20-D211 IonicContact NZ-OD2 2.67Å; K20-D211 PolarHBondContact NZ-OD2 3.15Å; T209-D211 VanDerWaalsContact C-N 3.26Å; T209-D211 PolarHBondContact O-N 3.42Å; D211-T213 PolarHBondContact O-N 3.2Å; D211-L214 PolarHBondContact O-N 3.4Å; D211-I215 HydrophobicContact CB-CD1 4.45Å; D211-I215 VanDerWaalsContact O-CB 3.3Å; D211-I215 WeakPolarHBondContact O-CB 3.45Å; D211-I215 WeakPolarHBondContact O-CG1 3.28Å; D211-I215 PolarHBondContact O-N 3.42Å; D211-Y253 VanDerWaalsContact OD1-CE1 3.26Å; D211-Y253 WeakPolarHBondContact OD1-CE1 3.19Å; D211-Y253 PolarHBondContact OD1-OH 3.26Å |
| 212 | G | 98.3 | Very high | 97.7 | Very high | 17 Ų | 17 | 38 Ų | 38 | 18% | 0.175 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.8 | -43.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | R210 R216 | R210-G212 PolarHBondContact O-N 2.96Å; R210-G212 VanDerWaalsContact O-N 3.12Å; G212-R216 VanDerWaalsContact O-CB 3.23Å; G212-R216 WeakPolarHBondContact O-CB 3.38Å; G212-R216 PolarHBondContact O-N 3.39Å |
| 213 | T | 98.6 | Very high | 97.6 | Very high | 19 Ų | 19 | 41 Ų | 41 | 12% | 0.117 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67 | -44.2 | 175.1 | -58.4 | 0 | 0 | 0 | 0 | 111 | A203 R210 D211 N217 | A203-T213 HydrophobicContact CB-CG2 3.97Å; R210-T213 WeakPolarHBondContact O-CB 3.22Å; R210-T213 PolarHBondContact O-N 3.39Å; D211-T213 PolarHBondContact O-N 3.2Å; T213-N217 VanDerWaalsContact CG2-ND2 3.31Å; T213-N217 WeakPolarHBondContact CG2-ND2 3.39Å; T213-N217 WeakPolarHBondContact O-CB 3.33Å; T213-N217 PolarHBondContact O-N 3.43Å; T213-N217 PolarHBondContact O-ND2 2.87Å |
| 214 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.6 | -51 | 179.1 | -177.6 | 58.5 | 0 | 0 | 0 | 111.6 | L200 A203 M204 T209 R210 D211 I218 T249 L257 | L200-L214 HydrophobicContact CD2-CD1 3.71Å; A203-L214 HydrophobicContact CB-CB 4.27Å; M204-L214 HydrophobicContact CE-CD1 4.18Å; M204-L214 HydrophobicContact CG-CD1 4.34Å; M204-L214 HydrophobicContact CG-CD2 4.06Å; M204-L214 HydrophobicContact SD-CD1 4.04Å; M204-L214 HydrophobicContact SD-CD2 4.07Å; T209-L214 HydrophobicContact CG2-CD2 3.97Å; R210-L214 PolarHBondContact O-N 2.97Å; D211-L214 PolarHBondContact O-N 3.4Å; L214-I218 HydrophobicContact CD1-CD1 3.53Å; L214-I218 HydrophobicContact CD1-CG1 4.32Å; L214-I218 HydrophobicContact CG-CD1 4.08Å; L214-I218 WeakPolarHBondContact O-CB 3.35Å; L214-I218 WeakPolarHBondContact O-CG1 3.41Å; L214-I218 PolarHBondContact O-N 3.32Å; L214-T249 HydrophobicContact CD2-CG2 4.08Å; L214-L257 HydrophobicContact CD2-CD1 3.82Å; L214-L257 HydrophobicContact CG-CD1 4.29Å |
| 215 | I | 98.8 | Very high | 97.6 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.9 | -53.6 | 179 | -68.5 | 167.4 | 0 | 0 | 0 | 110.2 | R23 L24 A27 D211 N217 I218 V219 Y253 | R23-I215 HydrophobicContact CB-CD1 4.02Å; L24-I215 HydrophobicContact CB-CD1 4.32Å; L24-I215 HydrophobicContact CB-CG1 4.37Å; L24-I215 HydrophobicContact CD1-CG1 4.46Å; L24-I215 HydrophobicContact CD1-CG2 4.05Å; A27-I215 HydrophobicContact CB-CG2 3.92Å; D211-I215 HydrophobicContact CB-CD1 4.45Å; D211-I215 VanDerWaalsContact O-CB 3.3Å; D211-I215 WeakPolarHBondContact O-CB 3.45Å; D211-I215 WeakPolarHBondContact O-CG1 3.28Å; D211-I215 PolarHBondContact O-N 3.42Å; I215-N217 VanDerWaalsContact C-N 3.34Å; I215-N217 PolarHBondContact O-N 3.11Å; I215-I218 PolarHBondContact O-N 2.97Å; I215-V219 HydrophobicContact CG2-CG2 4.04Å; I215-V219 WeakPolarHBondContact O-CB 3.35Å; I215-V219 VanDerWaalsContact O-CG2 3.25Å; I215-V219 WeakPolarHBondContact O-CG2 3.26Å; I215-V219 PolarHBondContact O-N 3.18Å; I215-Y253 HydrophobicContact CD1-CE2 3.83Å; I215-Y253 HydrophobicContact CG1-CE2 3.77Å |
| 216 | R | 98.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.015 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.9 | -42.7 | -176.2 | -178.1 | 177.4 | 56.9 | -100.3 | -5.5 | 112.7 | Y35 E39 E56 G212 S220 | Y35-R216 HydrophobicContact CE1-CB 4.38Å; Y35-R216 HydrophobicContact CE1-CG 4.02Å; Y35-R216 WeakPolarHBondContact OH-CA 3.49Å; E39-R216 HydrophobicContact CG-CG 4.16Å; E39-R216 WeakPolarHBondContact OE2-CD 3.33Å; E39-R216 IonicContact OE2-CZ 3.32Å; E39-R216 IonicContact OE2-NE 2.75Å; E39-R216 IonicContact OE2-NH1 2.66Å; E39-R216 PolarHBondContact OE2-NH1 3.24Å; E56-R216 IonicContact OE1-CZ 2.79Å; E56-R216 VanDerWaalsContact OE1-CZ 3.26Å; E56-R216 IonicContact OE1-NE 3.48Å; E56-R216 PolarHBondContact OE1-NE 3.47Å; E56-R216 IonicContact OE1-NH2 3.68Å; E56-R216 PolarHBondContact OE1-NH2 3.46Å; E56-R216 IonicContact OE2-NH2 3.29Å; G212-R216 VanDerWaalsContact O-CB 3.23Å; G212-R216 WeakPolarHBondContact O-CB 3.38Å; G212-R216 PolarHBondContact O-N 3.39Å; R216-S220 VanDerWaalsContact O-CB 3.23Å; R216-S220 WeakPolarHBondContact O-CB 3.44Å; R216-S220 PolarHBondContact O-N 3.1Å; R216-S220 PolarHBondContact O-OG 3.04Å |
| 217 | N | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -73.7 | -34.4 | -179.1 | -71.8 | -70.1 | 0 | 0 | 0 | 112.5 | E56 F196 L200 T213 I215 R221 | E56-N217 PolarHBondContact OE1-ND2 3.07Å; E56-N217 VanDerWaalsContact OE1-ND2 3.16Å; E56-N217 PolarHBondContact OE1-OD1 3.42Å; E56-N217 PolarHBondContact OE2-ND2 3.31Å; E56-N217 VanDerWaalsContact OE2-ND2 3.08Å; F196-N217 HydrophobicContact CD1-CB 4.46Å; F196-N217 WeakPolarHBondContact CD1-OD1 3.49Å; F196-N217 WeakPolarHBondContact CE1-OD1 3.3Å; L200-N217 HydrophobicContact CD2-CB 3.78Å; L200-N217 HydrophobicContact CG-CB 4.3Å; T213-N217 VanDerWaalsContact CG2-ND2 3.31Å; T213-N217 WeakPolarHBondContact CG2-ND2 3.39Å; T213-N217 WeakPolarHBondContact O-CB 3.33Å; T213-N217 PolarHBondContact O-N 3.43Å; T213-N217 PolarHBondContact O-ND2 2.87Å; I215-N217 VanDerWaalsContact C-N 3.34Å; I215-N217 PolarHBondContact O-N 3.11Å; N217-R221 VanDerWaalsContact O-CB 3.27Å; N217-R221 WeakPolarHBondContact O-CB 3.24Å; N217-R221 WeakPolarHBondContact O-CG 3.3Å; N217-R221 PolarHBondContact O-N 2.99Å |
| 218 | I | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70.1 | -47.1 | 174 | -71.5 | 173 | 0 | 0 | 0 | 110.9 | L200 L214 I215 S222 L226 I245 L257 L260 V261 | L200-I218 HydrophobicContact CD2-CD1 4.35Å; L200-I218 HydrophobicContact CD2-CG1 3.85Å; L214-I218 HydrophobicContact CD1-CD1 3.53Å; L214-I218 HydrophobicContact CD1-CG1 4.32Å; L214-I218 HydrophobicContact CG-CD1 4.08Å; L214-I218 WeakPolarHBondContact O-CB 3.35Å; L214-I218 WeakPolarHBondContact O-CG1 3.41Å; L214-I218 PolarHBondContact O-N 3.32Å; I215-I218 PolarHBondContact O-N 2.97Å; I218-S222 WeakPolarHBondContact O-CB 3.37Å; I218-S222 PolarHBondContact O-N 3.22Å; I218-S222 VanDerWaalsContact O-N 3.08Å; I218-L226 HydrophobicContact CG2-CD2 4.49Å; I218-I245 HydrophobicContact CD1-CD1 3.82Å; I218-L257 HydrophobicContact CD1-CD2 3.83Å; I218-L257 HydrophobicContact CG2-CD2 4.4Å; I218-L260 HydrophobicContact CG2-CB 4.03Å; I218-L260 HydrophobicContact CG2-CD2 3.85Å; I218-V261 HydrophobicContact CD1-CG2 4.17Å; I218-V261 HydrophobicContact CG2-CG2 4.46Å |
| 219 | V | 98.7 | Very high | 98.4 | Very high | 15 Ų | 15 | 38.6 Ų | 38.6 | 9% | 0.091 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.1 | -49.4 | -177.8 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | L24 A27 L28 Y35 I215 R221 S222 L260 | L24-V219 HydrophobicContact CD1-CG2 3.69Å; A27-V219 HydrophobicContact CB-CG1 4.36Å; A27-V219 HydrophobicContact CB-CG2 4.12Å; L28-V219 HydrophobicContact CD2-CG1 4.16Å; L28-V219 HydrophobicContact CD2-CG2 4.14Å; L28-V219 HydrophobicContact CG-CG2 4.3Å; Y35-V219 HydrophobicContact CD1-CG1 4.13Å; Y35-V219 HydrophobicContact CE1-CB 4.09Å; Y35-V219 HydrophobicContact CE1-CG1 3.87Å; I215-V219 HydrophobicContact CG2-CG2 4.04Å; I215-V219 WeakPolarHBondContact O-CB 3.35Å; I215-V219 VanDerWaalsContact O-CG2 3.25Å; I215-V219 WeakPolarHBondContact O-CG2 3.26Å; I215-V219 PolarHBondContact O-N 3.18Å; V219-R221 PolarHBondContact O-N 3.02Å; V219-S222 PolarHBondContact O-OG 3.29Å; V219-L260 HydrophobicContact CG2-CD2 4.26Å |
| 220 | S | 98.4 | Very high | 98.4 | Very high | 16 Ų | 16 | 38.4 Ų | 38.4 | 11% | 0.112 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -71.6 | -16.4 | -175.3 | 64.1 | 0 | 0 | 0 | 0 | 114.2 | R61 R216 I224 | R61-S220 VanDerWaalsContact NH2-CB 3.27Å; R61-S220 PolarHBondContact NH2-OG 3.04Å; R61-S220 VanDerWaalsContact NH2-OG 3.08Å; R216-S220 VanDerWaalsContact O-CB 3.23Å; R216-S220 WeakPolarHBondContact O-CB 3.44Å; R216-S220 PolarHBondContact O-N 3.1Å; R216-S220 PolarHBondContact O-OG 3.04Å; S220-I224 WeakPolarHBondContact O-CD1 3.36Å |
| 221 | R | 98.6 | Very high | 98.5 | Very high | 6 Ų | 6 | 33.1 Ų | 33.1 | 2% | 0.023 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -109.3 | -6.9 | -178 | -53.1 | -50.4 | -62.9 | -171.6 | -9.8 | 113.8 | F196 N217 V219 E223 I224 D225 L226 I229 | F196-R221 HydrophobicContact CD1-CG 4.36Å; F196-R221 HydrophobicContact CD2-CG 4.29Å; F196-R221 HydrophobicContact CE1-CG 4.39Å; F196-R221 HydrophobicContact CE2-CG 4.32Å; F196-R221 HydrophobicContact CG-CG 4.31Å; F196-R221 HydrophobicContact CZ-CG 4.37Å; N217-R221 VanDerWaalsContact O-CB 3.27Å; N217-R221 WeakPolarHBondContact O-CB 3.24Å; N217-R221 WeakPolarHBondContact O-CG 3.3Å; N217-R221 PolarHBondContact O-N 2.99Å; V219-R221 PolarHBondContact O-N 3.02Å; R221-E223 PolarHBondContact O-N 2.83Å; R221-I224 PolarHBondContact O-N 3.12Å; R221-I224 VanDerWaalsContact O-N 3.1Å; R221-D225 IonicContact CZ-OD1 3.03Å; R221-D225 VanDerWaalsContact CZ-OD1 3.3Å; R221-D225 IonicContact CZ-OD2 3.05Å; R221-D225 IonicContact NE-OD1 3.3Å; R221-D225 PolarHBondContact NE-OD1 3.47Å; R221-D225 IonicContact NE-OD2 3.64Å; R221-D225 IonicContact NH2-OD1 3.21Å; R221-D225 PolarHBondContact NH2-OD1 3.15Å; R221-D225 VanDerWaalsContact NH2-OD1 3.09Å; R221-D225 IonicContact NH2-OD2 3.9Å; R221-D225 PolarHBondContact NH2-OD2 3.39Å; R221-D225 PolarHBondContact O-N 2.84Å; R221-L226 WeakPolarHBondContact O-CB 3.2Å; R221-L226 PolarHBondContact O-N 2.98Å; R221-L226 VanDerWaalsContact O-N 3.12Å; R221-I229 HydrophobicContact CB-CD1 3.71Å; R221-I229 HydrophobicContact CG-CD1 3.84Å |
| 222 | S | 97.9 | Very high | 98.5 | Very high | 44 Ų | 44 | 34.1 Ų | 34.1 | 31% | 0.308 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -39.1 | -173.7 | 56.9 | 0 | 0 | 0 | 0 | 113.2 | I218 V219 | I218-S222 WeakPolarHBondContact O-CB 3.37Å; I218-S222 PolarHBondContact O-N 3.22Å; I218-S222 VanDerWaalsContact O-N 3.08Å; V219-S222 PolarHBondContact O-OG 3.29Å |
| 223 | E | 97.6 | Very high | 98.5 | Very high | 180 Ų | 180 | 33.3 Ų | 33.3 | 84% | 0.841 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | 8.5 | -176.3 | -64 | 179 | -165.5 | 0 | 0 | 113.6 | R221 | R221-E223 PolarHBondContact O-N 2.83Š|
| 224 | I | 98 | Very high | 98.5 | Very high | 92 Ų | 92 | 36.5 Ų | 36.5 | 47% | 0.472 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | -66.2 | -176 | -54.9 | 177.7 | 0 | 0 | 0 | 110.3 | S220 R221 | S220-I224 WeakPolarHBondContact O-CD1 3.36Å; R221-I224 PolarHBondContact O-N 3.12Å; R221-I224 VanDerWaalsContact O-N 3.1Å |
| 225 | D | 98.1 | Very high | 98.5 | Very high | 5 Ų | 5 | 43.9 Ų | 43.9 | 3% | 0.027 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -153.5 | 18.6 | -167 | 65 | -13.5 | 0 | 0 | 0 | 113.8 | H193 R221 N227 L228 I229 | H193-D225 IonicContact CE1-OD2 2.83Å; H193-D225 PolarHBondContact CE1-OD2 3.3Å; H193-D225 VanDerWaalsContact CE1-OD2 3.28Å; H193-D225 IonicContact ND1-OD2 2.77Å; H193-D225 PolarHBondContact ND1-OD2 2.79Å; R221-D225 IonicContact CZ-OD1 3.03Å; R221-D225 VanDerWaalsContact CZ-OD1 3.3Å; R221-D225 IonicContact CZ-OD2 3.05Å; R221-D225 IonicContact NE-OD1 3.3Å; R221-D225 PolarHBondContact NE-OD1 3.47Å; R221-D225 IonicContact NE-OD2 3.64Å; R221-D225 IonicContact NH2-OD1 3.21Å; R221-D225 PolarHBondContact NH2-OD1 3.15Å; R221-D225 VanDerWaalsContact NH2-OD1 3.09Å; R221-D225 IonicContact NH2-OD2 3.9Å; R221-D225 PolarHBondContact NH2-OD2 3.39Å; R221-D225 PolarHBondContact O-N 2.84Å; D225-N227 WeakPolarHBondContact CA-OD1 3.37Å; D225-N227 PolarHBondContact O-N 3.33Å; D225-N227 VanDerWaalsContact O-N 3.11Å; D225-L228 HydrophobicContact CB-CB 4.48Å; D225-L228 HydrophobicContact CB-CD1 4.35Å; D225-L228 PolarHBondContact O-N 3.07Å; D225-I229 WeakPolarHBondContact O-CG1 3.46Å; D225-I229 PolarHBondContact O-N 3.04Å; D225-I229 WeakPolarHBondContact OD1-CD1 3.5Å |
| 226 | L | 98.6 | Very high | 98.5 | Very high | 8 Ų | 8 | 47.3 Ų | 47.3 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.8 | -31.8 | 178.5 | -171.6 | 60.3 | 0 | 0 | 0 | 112.5 | I218 R221 I229 K230 L241 | I218-L226 HydrophobicContact CG2-CD2 4.49Å; R221-L226 WeakPolarHBondContact O-CB 3.2Å; R221-L226 PolarHBondContact O-N 2.98Å; R221-L226 VanDerWaalsContact O-N 3.12Å; L226-I229 PolarHBondContact O-N 3.24Å; L226-K230 HydrophobicContact CG-CD 4.24Å; L226-K230 VanDerWaalsContact O-CD 3.28Å; L226-K230 WeakPolarHBondContact O-CD 3.31Å; L226-K230 WeakPolarHBondContact O-CG 3.48Å; L226-K230 PolarHBondContact O-N 3.42Å; L226-L241 HydrophobicContact CD1-CD2 4.3Å |
| 227 | N | 98.1 | Very high | 98.4 | Very high | 109 Ų | 109 | 49.7 Ų | 49.7 | 58% | 0.583 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -60.5 | -42.2 | 172.4 | 63.8 | -33.7 | 0 | 0 | 0 | 113.1 | D225 C231 | D225-N227 WeakPolarHBondContact CA-OD1 3.37Å; D225-N227 PolarHBondContact O-N 3.33Å; D225-N227 VanDerWaalsContact O-N 3.11Å; N227-C231 PolarHBondContact O-N 3.21Å |
| 228 | L | 98.6 | Very high | 98.4 | Very high | 75 Ų | 75 | 53.1 Ų | 53.1 | 39% | 0.393 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -72.7 | -40.6 | 177.1 | -63.5 | 176.2 | 0 | 0 | 0 | 110.9 | H193 D225 K230 C231 H232 | H193-L228 HydrophobicContact CB-CB 4.24Å; D225-L228 HydrophobicContact CB-CB 4.48Å; D225-L228 HydrophobicContact CB-CD1 4.35Å; D225-L228 PolarHBondContact O-N 3.07Å; L228-K230 VanDerWaalsContact C-N 3.32Å; L228-K230 PolarHBondContact O-N 3.44Å; L228-C231 WeakPolarHBondContact O-CB 3.29Å; L228-C231 PolarHBondContact O-N 3.08Å; L228-C231 VanDerWaalsContact O-N 3.15Å; L228-H232 PolarHBondContact O-CD2 2.94Å; L228-H232 PolarHBondContact O-N 3.3Å |
| 229 | I | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.4 | -45.6 | 175.7 | -66 | 167.8 | 0 | 0 | 0 | 110.6 | H193 F196 A197 L200 R221 D225 L226 C231 H232 F233 | H193-I229 HydrophobicContact CB-CG1 4.31Å; F196-I229 HydrophobicContact CB-CD1 3.56Å; F196-I229 HydrophobicContact CB-CG1 3.89Å; F196-I229 HydrophobicContact CB-CG2 4.21Å; F196-I229 HydrophobicContact CD2-CD1 4.09Å; F196-I229 HydrophobicContact CG-CD1 4.04Å; A197-I229 HydrophobicContact CB-CG2 4.19Å; L200-I229 HydrophobicContact CD1-CG2 3.64Å; R221-I229 HydrophobicContact CB-CD1 3.71Å; R221-I229 HydrophobicContact CG-CD1 3.84Å; D225-I229 WeakPolarHBondContact O-CG1 3.46Å; D225-I229 PolarHBondContact O-N 3.04Å; D225-I229 WeakPolarHBondContact OD1-CD1 3.5Å; L226-I229 PolarHBondContact O-N 3.24Å; I229-C231 VanDerWaalsContact C-N 3.34Å; I229-C231 PolarHBondContact O-N 3.28Å; I229-H232 PolarHBondContact O-N 2.78Å; I229-F233 WeakPolarHBondContact O-CB 3.22Å; I229-F233 PolarHBondContact O-N 3.02Å |
| 230 | K | 98.8 | Very high | 98.3 | Very high | 26 Ų | 26 | 57.1 Ų | 57.1 | 11% | 0.113 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59 | -42.9 | 175.7 | -71.9 | 158.5 | 63.2 | 179 | 0 | 112.7 | L226 L228 F233 K234 L241 V261 S263 D264 | L226-K230 HydrophobicContact CG-CD 4.24Å; L226-K230 VanDerWaalsContact O-CD 3.28Å; L226-K230 WeakPolarHBondContact O-CD 3.31Å; L226-K230 WeakPolarHBondContact O-CG 3.48Å; L226-K230 PolarHBondContact O-N 3.42Å; L228-K230 VanDerWaalsContact C-N 3.32Å; L228-K230 PolarHBondContact O-N 3.44Å; K230-F233 PolarHBondContact O-N 3.14Å; K230-K234 PolarHBondContact O-N 2.92Å; K230-L241 HydrophobicContact CG-CB 4.33Å; K230-L241 HydrophobicContact CG-CD2 4Å; K230-V261 HydrophobicContact CD-CG1 3.96Å; K230-V261 HydrophobicContact CG-CG1 4.39Å; K230-V261 PolarHBondContact NZ-O 3.43Å; K230-S263 PolarHBondContact NZ-O 3.47Å; K230-D264 VanDerWaalsContact CE-CG 3.47Å; K230-D264 WeakPolarHBondContact CE-OD1 3.33Å |
| 231 | C | 98.5 | Very high | 98.3 | Very high | 56 Ų | 56 | 56.4 Ų | 56.4 | 38% | 0.378 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.5 | -46.2 | 176.5 | -178.1 | 0 | 0 | 0 | 0 | 111.7 | N227 L228 I229 K234 K235 | N227-C231 PolarHBondContact O-N 3.21Å; L228-C231 WeakPolarHBondContact O-CB 3.29Å; L228-C231 PolarHBondContact O-N 3.08Å; L228-C231 VanDerWaalsContact O-N 3.15Å; I229-C231 VanDerWaalsContact C-N 3.34Å; I229-C231 PolarHBondContact O-N 3.28Å; C231-K234 PolarHBondContact O-N 2.96Å; C231-K235 WeakPolarHBondContact O-CG 3.37Å; C231-K235 PolarHBondContact O-N 3.43Å; C231-K235 VanDerWaalsContact O-N 3.11Å; C231-K235 VanDerWaalsContact SG-CE 3.59Å |
| 232 | H | 98.7 | Very high | 98.4 | Very high | 39 Ų | 39 | 56.8 Ų | 56.8 | 18% | 0.181 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.3 | -44 | 176.2 | -85 | -88.4 | 0 | 0 | 0 | 112.1 | N191 S194 A197 L228 I229 K234 K235 M236 | N191-H232 PolarHBondContact ND2-CE1 3.16Å; N191-H232 VanDerWaalsContact ND2-CE1 3.27Å; S194-H232 PolarHBondContact OG-CE1 3.42Å; S194-H232 PolarHBondContact OG-ND1 2.79Å; A197-H232 HydrophobicContact CB-CB 4.06Å; L228-H232 PolarHBondContact O-CD2 2.94Å; L228-H232 PolarHBondContact O-N 3.3Å; I229-H232 PolarHBondContact O-N 2.78Å; H232-K234 VanDerWaalsContact C-N 3.34Å; H232-K234 PolarHBondContact O-N 3.22Å; H232-K235 PolarHBondContact O-N 2.99Å; H232-M236 HydrophobicContact CB-SD 4.42Å; H232-M236 WeakPolarHBondContact O-CB 3.47Å; H232-M236 VanDerWaalsContact O-CG 3.22Å; H232-M236 WeakPolarHBondContact O-CG 3.35Å; H232-M236 PolarHBondContact O-N 3.41Å |
| 233 | F | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -55.4 | -48.9 | 176.6 | -167.3 | -79.3 | 0 | 0 | 0 | 111.7 | A197 L200 Y201 M204 I229 K230 K235 M236 Y237 K239 L241 M244 | A197-F233 HydrophobicContact CB-CB 3.96Å; A197-F233 HydrophobicContact CB-CD2 4.25Å; A197-F233 WeakPolarHBondContact O-CD2 3.34Å; L200-F233 HydrophobicContact CB-CD2 4.39Å; L200-F233 HydrophobicContact CB-CE2 4.17Å; Y201-F233 HydrophobicContact CD2-CE2 4.48Å; Y201-F233 HydrophobicContact CD2-CZ 4.16Å; M204-F233 HydrophobicContact CE-CE2 4.48Å; M204-F233 HydrophobicContact CE-CZ 4.36Å; I229-F233 WeakPolarHBondContact O-CB 3.22Å; I229-F233 PolarHBondContact O-N 3.02Å; K230-F233 PolarHBondContact O-N 3.14Å; F233-K235 PolarHBondContact O-N 2.85Å; F233-M236 PolarHBondContact O-N 2.87Å; F233-Y237 HydrophobicContact CD1-CD2 4.07Å; F233-Y237 AromaticContact CD2-CD2 3.94Å; F233-Y237 HydrophobicContact CD2-CD2 3.94Å; F233-Y237 HydrophobicContact CD2-CE2 4.13Å; F233-Y237 HydrophobicContact CE1-CD2 4.14Å; F233-Y237 HydrophobicContact CE2-CD2 4.03Å; F233-Y237 HydrophobicContact CE2-CE2 4.27Å; F233-Y237 AromaticContact CG-CD2 3.97Å; F233-Y237 HydrophobicContact CG-CD2 3.97Å; F233-Y237 HydrophobicContact CZ-CD2 4.13Å; F233-Y237 WeakPolarHBondContact O-CD2 3.44Å; F233-Y237 PolarHBondContact O-N 3Å; F233-K239 WeakPolarHBondContact CD1-O 3.31Å; F233-K239 HydrophobicContact CE1-CG 4.44Å; F233-L241 HydrophobicContact CD1-CB 4.14Å; F233-L241 HydrophobicContact CD2-CD1 4.04Å; F233-L241 HydrophobicContact CE1-CB 4.44Å; F233-L241 HydrophobicContact CE2-CD1 3.82Å; F233-L241 HydrophobicContact CG-CB 4.21Å; F233-L241 HydrophobicContact CG-CD1 4.5Å; F233-L241 HydrophobicContact CZ-CD1 4.12Å; F233-M244 HydrophobicContact CE1-CB 4.47Å; F233-M244 HydrophobicContact CE1-SD 4.46Å; F233-M244 HydrophobicContact CZ-CB 4.23Å; F233-M244 HydrophobicContact CZ-SD 3.66Å |
| 234 | K | 98.6 | Very high | 98.4 | Very high | 85 Ų | 85 | 47.7 Ų | 47.7 | 37% | 0.37 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 178.3 | -168.4 | 179.1 | -172 | 177.2 | 0 | 112.3 | K230 C231 H232 G238 K239 T240 P265 | K230-K234 PolarHBondContact O-N 2.92Å; C231-K234 PolarHBondContact O-N 2.96Å; H232-K234 VanDerWaalsContact C-N 3.34Å; H232-K234 PolarHBondContact O-N 3.22Å; K234-G238 WeakPolarHBondContact O-CA 3.39Å; K234-G238 PolarHBondContact O-N 3.48Å; K234-K239 WeakPolarHBondContact CA-O 3.38Å; K234-T240 HydrophobicContact CD-CG2 4.18Å; K234-T240 HydrophobicContact CG-CG2 4.47Å; K234-P265 PolarHBondContact NZ-O 3.13Å; K234-P265 PolarHBondContact NZ-OXT 2.89Å |
| 235 | K | 98.4 | Very high | 98.4 | Very high | 155 Ų | 155 | 43.3 Ų | 43.3 | 67% | 0.674 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -64.1 | -40.8 | 177.2 | -73.5 | 173.8 | -180 | 175.1 | 0 | 112.5 | C231 H232 F233 | C231-K235 WeakPolarHBondContact O-CG 3.37Å; C231-K235 PolarHBondContact O-N 3.43Å; C231-K235 VanDerWaalsContact O-N 3.11Å; C231-K235 VanDerWaalsContact SG-CE 3.59Å; H232-K235 PolarHBondContact O-N 2.99Å; F233-K235 PolarHBondContact O-N 2.85Å |
| 236 | M | 98.4 | Very high | 98.4 | Very high | 77 Ų | 77 | 48 Ų | 48 | 38% | 0.379 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -77.4 | -35.6 | -175.4 | -69.6 | 169.1 | 68.5 | 0 | 0 | 112.9 | A197 E198 H232 F233 | A197-M236 HydrophobicContact CB-SD 4.18Å; E198-M236 HydrophobicContact CB-CE 4.26Å; H232-M236 HydrophobicContact CB-SD 4.42Å; H232-M236 WeakPolarHBondContact O-CB 3.47Å; H232-M236 VanDerWaalsContact O-CG 3.22Å; H232-M236 WeakPolarHBondContact O-CG 3.35Å; H232-M236 PolarHBondContact O-N 3.41Å; F233-M236 PolarHBondContact O-N 2.87Å |
| 237 | Y | 98.3 | Very high | 98.4 | Very high | 54 Ų | 54 | 53.7 Ų | 53.7 | 21% | 0.212 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -118.5 | -3.6 | -168.9 | -55.8 | -59.6 | 0 | 0 | 0 | 114.8 | E198 Y201 F233 K239 | E198-Y237 VanDerWaalsContact CA-OH 3.3Å; E198-Y237 WeakPolarHBondContact CA-OH 3.38Å; E198-Y237 WeakPolarHBondContact CG-OH 3.43Å; Y201-Y237 HydrophobicContact CD1-CD1 4.13Å; Y201-Y237 AromaticContact CD1-CE1 3.54Å; Y201-Y237 HydrophobicContact CD1-CE1 3.54Å; Y201-Y237 HydrophobicContact CD1-CE2 4.31Å; Y201-Y237 AromaticContact CD1-CZ 3.64Å; Y201-Y237 AromaticContact CD2-CD1 3.71Å; Y201-Y237 HydrophobicContact CD2-CD1 3.71Å; Y201-Y237 AromaticContact CD2-CD2 3.79Å; Y201-Y237 HydrophobicContact CD2-CD2 3.79Å; Y201-Y237 AromaticContact CD2-CE1 3.92Å; Y201-Y237 HydrophobicContact CD2-CE1 3.92Å; Y201-Y237 AromaticContact CD2-CE2 4Å; Y201-Y237 HydrophobicContact CD2-CE2 4Å; Y201-Y237 AromaticContact CD2-CG 3.65Å; Y201-Y237 HydrophobicContact CD2-CG 3.65Å; Y201-Y237 HydrophobicContact CE1-CD1 4.1Å; Y201-Y237 AromaticContact CE1-CE1 3.75Å; Y201-Y237 HydrophobicContact CE1-CE1 3.75Å; Y201-Y237 AromaticContact CE2-CD1 3.73Å; Y201-Y237 HydrophobicContact CE2-CD1 3.73Å; Y201-Y237 HydrophobicContact CE2-CE1 4.15Å; Y201-Y237 AromaticContact CE2-CG 3.95Å; Y201-Y237 HydrophobicContact CE2-CG 3.95Å; Y201-Y237 AromaticContact CG-CD1 3.93Å; Y201-Y237 HydrophobicContact CG-CD1 3.93Å; Y201-Y237 AromaticContact CG-CD2 3.96Å; Y201-Y237 HydrophobicContact CG-CD2 3.96Å; Y201-Y237 AromaticContact CG-CE1 3.62Å; Y201-Y237 HydrophobicContact CG-CE1 3.62Å; Y201-Y237 AromaticContact CG-CE2 3.66Å; Y201-Y237 HydrophobicContact CG-CE2 3.66Å; Y201-Y237 HydrophobicContact CG-CG 4.1Å; Y201-Y237 AromaticContact CG-CZ 3.46Å; Y201-Y237 VanDerWaalsContact CG-CZ 3.46Å; Y201-Y237 AromaticContact CZ-CD1 3.94Å; F233-Y237 HydrophobicContact CD1-CD2 4.07Å; F233-Y237 AromaticContact CD2-CD2 3.94Å; F233-Y237 HydrophobicContact CD2-CD2 3.94Å; F233-Y237 HydrophobicContact CD2-CE2 4.13Å; F233-Y237 HydrophobicContact CE1-CD2 4.14Å; F233-Y237 HydrophobicContact CE2-CD2 4.03Å; F233-Y237 HydrophobicContact CE2-CE2 4.27Å; F233-Y237 AromaticContact CG-CD2 3.97Å; F233-Y237 HydrophobicContact CG-CD2 3.97Å; F233-Y237 HydrophobicContact CZ-CD2 4.13Å; F233-Y237 WeakPolarHBondContact O-CD2 3.44Å; F233-Y237 PolarHBondContact O-N 3Å; Y237-K239 PolarHBondContact O-N 3.46Å; Y237-K239 VanDerWaalsContact O-N 3.08Å |
| 238 | G | 97.8 | Very high | 98.3 | Very high | 72 Ų | 72 | 50.9 Ų | 50.9 | 74% | 0.742 | 27% | 0.267 | S | S | * | . | S | Bend | trans | 68 | 6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | K234 | K234-G238 WeakPolarHBondContact O-CA 3.39Å; K234-G238 PolarHBondContact O-N 3.48Å |
| 239 | K | 97.5 | Very high | 98.3 | Very high | 75 Ų | 75 | 47.8 Ų | 47.8 | 33% | 0.326 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -135.3 | 157.4 | 175.8 | 63.8 | 166.9 | 70.6 | -170.2 | 0 | 109.7 | F233 K234 Y237 M244 E247 | F233-K239 WeakPolarHBondContact CD1-O 3.31Å; F233-K239 HydrophobicContact CE1-CG 4.44Å; K234-K239 WeakPolarHBondContact CA-O 3.38Å; Y237-K239 PolarHBondContact O-N 3.46Å; Y237-K239 VanDerWaalsContact O-N 3.08Å; K239-M244 HydrophobicContact CD-CB 4.31Å; K239-E247 IonicContact NZ-OE1 3.64Å; K239-E247 IonicContact NZ-OE2 2.89Å; K239-E247 PolarHBondContact NZ-OE2 3.26Å |
| 240 | T | 98.6 | Very high | 98.3 | Very high | 25 Ų | 25 | 52 Ų | 52 | 15% | 0.153 | 28% | 0.282 | C | S | . | . | trans | -81.1 | 156.7 | -177.4 | 67.7 | 0 | 0 | 0 | 0 | 111.2 | K234 S242 S243 M244 D264 | K234-T240 HydrophobicContact CD-CG2 4.18Å; K234-T240 HydrophobicContact CG-CG2 4.47Å; T240-S242 PolarHBondContact O-N 3.31Å; T240-S243 PolarHBondContact N-OG 2.68Å; T240-S243 VanDerWaalsContact N-OG 3.14Å; T240-S243 PolarHBondContact O-N 2.69Å; T240-S243 PolarHBondContact O-OG 3.45Å; T240-S243 WeakPolarHBondContact OG1-CB 3.41Å; T240-S243 PolarHBondContact OG1-N 3.31Å; T240-S243 PolarHBondContact OG1-OG 3.33Å; T240-M244 PolarHBondContact O-N 3.41Å; T240-D264 WeakPolarHBondContact CB-OD2 3.43Å | ||
| 241 | L | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.5 | -42.2 | 175.8 | 176.4 | 61.5 | 0 | 0 | 0 | 109.9 | L200 M204 L226 K230 F233 S243 M244 I245 V261 D264 | L200-L241 HydrophobicContact CB-CD1 4.08Å; L200-L241 HydrophobicContact CD1-CD1 4.03Å; L200-L241 HydrophobicContact CD1-CD2 3.91Å; M204-L241 HydrophobicContact CE-CD1 3.77Å; L226-L241 HydrophobicContact CD1-CD2 4.3Å; K230-L241 HydrophobicContact CG-CB 4.33Å; K230-L241 HydrophobicContact CG-CD2 4Å; F233-L241 HydrophobicContact CD1-CB 4.14Å; F233-L241 HydrophobicContact CD2-CD1 4.04Å; F233-L241 HydrophobicContact CE1-CB 4.44Å; F233-L241 HydrophobicContact CE2-CD1 3.82Å; F233-L241 HydrophobicContact CG-CB 4.21Å; F233-L241 HydrophobicContact CG-CD1 4.5Å; F233-L241 HydrophobicContact CZ-CD1 4.12Å; L241-S243 PolarHBondContact O-N 2.96Å; L241-M244 PolarHBondContact O-N 3.1Å; L241-I245 HydrophobicContact CD1-CD1 4.18Å; L241-I245 HydrophobicContact CD1-CG1 4.47Å; L241-I245 HydrophobicContact CG-CD1 3.91Å; L241-I245 WeakPolarHBondContact O-CG1 3.39Å; L241-I245 PolarHBondContact O-N 3.03Å; L241-V261 HydrophobicContact CD2-CG1 4.27Å; L241-V261 HydrophobicContact CD2-CG2 4.08Å; L241-D264 PolarHBondContact N-OD2 2.94Å; L241-D264 VanDerWaalsContact N-OD2 3.14Å |
| 242 | S | 98.6 | Very high | 98.3 | Very high | 14 Ų | 14 | 55.2 Ų | 55.2 | 10% | 0.098 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61 | -40.6 | 177 | -58.5 | 0 | 0 | 0 | 0 | 112.7 | T240 M244 I245 M246 V261 D264 | T240-S242 PolarHBondContact O-N 3.31Å; S242-M244 VanDerWaalsContact C-N 3.32Å; S242-M244 PolarHBondContact O-N 2.67Å; S242-I245 PolarHBondContact O-N 3.4Å; S242-M246 WeakPolarHBondContact O-CG 3.15Å; S242-M246 PolarHBondContact O-N 2.89Å; S242-V261 VanDerWaalsContact OG-CG1 3.31Å; S242-V261 WeakPolarHBondContact OG-CG1 3.45Å; S242-D264 WeakPolarHBondContact CB-OD2 3.39Å; S242-D264 PolarHBondContact N-OD2 3.32Å; S242-D264 WeakPolarHBondContact OG-CB 3.49Å; S242-D264 PolarHBondContact OG-OD2 3.47Å |
| 243 | S | 98.4 | Very high | 98.3 | Very high | 25 Ų | 25 | 53.9 Ų | 53.9 | 18% | 0.175 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.3 | -40 | 176.6 | 67.2 | 0 | 0 | 0 | 0 | 112.5 | T240 L241 M246 E247 | T240-S243 PolarHBondContact N-OG 2.68Å; T240-S243 VanDerWaalsContact N-OG 3.14Å; T240-S243 PolarHBondContact O-N 2.69Å; T240-S243 PolarHBondContact O-OG 3.45Å; T240-S243 WeakPolarHBondContact OG1-CB 3.41Å; T240-S243 PolarHBondContact OG1-N 3.31Å; T240-S243 PolarHBondContact OG1-OG 3.33Å; L241-S243 PolarHBondContact O-N 2.96Å; S243-M246 PolarHBondContact O-N 3.26Å; S243-E247 WeakPolarHBondContact O-CG 2.96Å; S243-E247 PolarHBondContact O-N 3.17Å; S243-E247 VanDerWaalsContact O-N 3.13Å |
| 244 | M | 98.4 | Very high | 98.3 | Very high | 9 Ų | 9 | 56.6 Ų | 56.6 | 4% | 0.044 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -71.7 | -39.2 | 179.3 | -162.7 | 170.3 | -174.7 | 0 | 0 | 111 | Y201 M204 K205 F233 K239 T240 L241 S242 M246 E247 D248 | Y201-M244 HydrophobicContact CD2-CE 3.85Å; Y201-M244 HydrophobicContact CD2-SD 3.64Å; Y201-M244 HydrophobicContact CE2-CE 3.92Å; Y201-M244 HydrophobicContact CE2-SD 4.08Å; M204-M244 HydrophobicContact CB-CE 3.54Å; M204-M244 HydrophobicContact CB-CG 4Å; M204-M244 HydrophobicContact CB-SD 4.01Å; M204-M244 HydrophobicContact CE-CB 3.95Å; M204-M244 HydrophobicContact CE-CG 3.86Å; M204-M244 HydrophobicContact CE-SD 3.92Å; M204-M244 HydrophobicContact SD-CB 4.25Å; M204-M244 HydrophobicContact SD-CG 4Å; K205-M244 HydrophobicContact CB-CE 4.26Å; F233-M244 HydrophobicContact CE1-CB 4.47Å; F233-M244 HydrophobicContact CE1-SD 4.46Å; F233-M244 HydrophobicContact CZ-CB 4.23Å; F233-M244 HydrophobicContact CZ-SD 3.66Å; K239-M244 HydrophobicContact CD-CB 4.31Å; T240-M244 PolarHBondContact O-N 3.41Å; L241-M244 PolarHBondContact O-N 3.1Å; S242-M244 VanDerWaalsContact C-N 3.32Å; S242-M244 PolarHBondContact O-N 2.67Å; M244-M246 VanDerWaalsContact C-N 3.28Å; M244-M246 PolarHBondContact O-N 3.02Å; M244-E247 PolarHBondContact O-N 2.96Å; M244-E247 VanDerWaalsContact O-N 3.16Å; M244-D248 WeakPolarHBondContact O-CB 3.26Å; M244-D248 PolarHBondContact O-N 3.49Å |
| 245 | I | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.9 | -39.9 | 172.7 | -68.8 | 167.7 | 0 | 0 | 0 | 111.1 | M204 I218 L241 S242 E247 D248 T249 K254 L257 L258 V261 | M204-I245 HydrophobicContact CE-CG1 4.23Å; M204-I245 HydrophobicContact SD-CB 4.48Å; M204-I245 HydrophobicContact SD-CG1 3.73Å; I218-I245 HydrophobicContact CD1-CD1 3.82Å; L241-I245 HydrophobicContact CD1-CD1 4.18Å; L241-I245 HydrophobicContact CD1-CG1 4.47Å; L241-I245 HydrophobicContact CG-CD1 3.91Å; L241-I245 WeakPolarHBondContact O-CG1 3.39Å; L241-I245 PolarHBondContact O-N 3.03Å; S242-I245 PolarHBondContact O-N 3.4Å; I245-E247 VanDerWaalsContact C-N 3.32Å; I245-E247 PolarHBondContact O-N 3.32Å; I245-D248 PolarHBondContact O-N 3.02Å; I245-T249 HydrophobicContact CG2-CG2 4.49Å; I245-T249 WeakPolarHBondContact CG2-OG1 3.23Å; I245-T249 WeakPolarHBondContact O-CB 3.44Å; I245-T249 PolarHBondContact O-N 3.47Å; I245-T249 PolarHBondContact O-OG1 2.65Å; I245-K254 HydrophobicContact CG2-CG 4.45Å; I245-L257 HydrophobicContact CG2-CB 3.92Å; I245-L257 HydrophobicContact CG2-CD1 4.04Å; I245-L258 HydrophobicContact CB-CD2 4.12Å; I245-L258 HydrophobicContact CG2-CD2 3.85Å; I245-L258 HydrophobicContact CG2-CG 4.1Å; I245-V261 HydrophobicContact CD1-CG2 3.74Å |
| 246 | M | 98.1 | Very high | 98.3 | Very high | 104 Ų | 104 | 50.2 Ų | 50.2 | 51% | 0.512 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.4 | -34.7 | 176.7 | -76.4 | -171.2 | -64.7 | 0 | 0 | 113.4 | S242 S243 M244 K254 L258 | S242-M246 WeakPolarHBondContact O-CG 3.15Å; S242-M246 PolarHBondContact O-N 2.89Å; S243-M246 PolarHBondContact O-N 3.26Å; M244-M246 VanDerWaalsContact C-N 3.28Å; M244-M246 PolarHBondContact O-N 3.02Å; M246-K254 HydrophobicContact CG-CD 4.39Å; M246-L258 HydrophobicContact CG-CD1 3.73Å; M246-L258 HydrophobicContact CG-CD2 4.09Å; M246-L258 HydrophobicContact SD-CD1 4.47Å |
| 247 | E | 97.1 | Very high | 98.3 | Very high | 126 Ų | 126 | 46.5 Ų | 46.5 | 59% | 0.589 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -72.6 | -42.4 | 177.2 | -71.9 | 169 | -174.5 | 0 | 0 | 111.5 | K239 S243 M244 I245 | K239-E247 IonicContact NZ-OE1 3.64Å; K239-E247 IonicContact NZ-OE2 2.89Å; K239-E247 PolarHBondContact NZ-OE2 3.26Å; S243-E247 WeakPolarHBondContact O-CG 2.96Å; S243-E247 PolarHBondContact O-N 3.17Å; S243-E247 VanDerWaalsContact O-N 3.13Å; M244-E247 PolarHBondContact O-N 2.96Å; M244-E247 VanDerWaalsContact O-N 3.16Å; I245-E247 VanDerWaalsContact C-N 3.32Å; I245-E247 PolarHBondContact O-N 3.32Å |
| 248 | D | 96.9 | Very high | 98.3 | Very high | 50 Ų | 50 | 45.9 Ų | 45.9 | 27% | 0.267 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -94.5 | -19.7 | -167.9 | -104.7 | 56.7 | 0 | 0 | 0 | 115.2 | M204 T209 M244 I245 | M204-D248 VanDerWaalsContact CA-OD2 3.28Å; M204-D248 WeakPolarHBondContact CA-OD2 3.37Å; M204-D248 HydrophobicContact CB-CB 4.17Å; M204-D248 WeakPolarHBondContact CB-OD2 3.42Å; M204-D248 HydrophobicContact CG-CB 4.14Å; M204-D248 HydrophobicContact SD-CB 4.35Å; T209-D248 PolarHBondContact OG1-OD2 2.98Å; M244-D248 WeakPolarHBondContact O-CB 3.26Å; M244-D248 PolarHBondContact O-N 3.49Å; I245-D248 PolarHBondContact O-N 3.02Å |
| 249 | T | 98.3 | Very high | 98.3 | Very high | 10 Ų | 10 | 47 Ų | 47 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | trans | -123.5 | 161.7 | -173.9 | 72.4 | 0 | 0 | 0 | 0 | 112.2 | L214 I245 Y253 K254 L257 | L214-T249 HydrophobicContact CD2-CG2 4.08Å; I245-T249 HydrophobicContact CG2-CG2 4.49Å; I245-T249 WeakPolarHBondContact CG2-OG1 3.23Å; I245-T249 WeakPolarHBondContact O-CB 3.44Å; I245-T249 PolarHBondContact O-N 3.47Å; I245-T249 PolarHBondContact O-OG1 2.65Å; T249-Y253 HydrophobicContact CG2-CD1 4.2Å; T249-Y253 HydrophobicContact CG2-CE1 3.67Å; T249-K254 WeakPolarHBondContact O-CD 3.4Å; T249-K254 WeakPolarHBondContact OG1-CA 3.45Å; T249-K254 VanDerWaalsContact OG1-CB 3.23Å; T249-K254 WeakPolarHBondContact OG1-CB 3.46Å; T249-K254 WeakPolarHBondContact OG1-CG 3.41Å; T249-L257 HydrophobicContact CG2-CD1 4.09Å | ||
| 250 | S | 98.3 | Very high | 98.3 | Very high | 91 Ų | 91 | 45.6 Ų | 45.6 | 64% | 0.636 | 27% | 0.266 | S | S | * | . | trans | -145.2 | 170.6 | -177.6 | 65.2 | 0 | 0 | 0 | 0 | 112.5 | K254 | S250-K254 PolarHBondContact O-N 3.16Š| ||
| 251 | G | 98.4 | Very high | 98.3 | Very high | 46 Ų | 46 | 44.7 Ų | 44.7 | 47% | 0.474 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | 61.3 | -155.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y253 K254 N255 | G251-Y253 PolarHBondContact O-N 2.91Å; G251-K254 WeakPolarHBondContact O-CB 3.28Å; G251-K254 PolarHBondContact O-N 3.37Å; G251-N255 PolarHBondContact O-N 3.39Å |
| 252 | D | 98.5 | Very high | 98.2 | Very high | 103 Ų | 103 | 46.5 Ų | 46.5 | 55% | 0.551 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -64.7 | -29.2 | -177.9 | -60.6 | -42.3 | 0 | 0 | 0 | 112.9 | F21 N255 A256 | F21-D252 HydrophobicContact CD1-CB 4.25Å; F21-D252 HydrophobicContact CD2-CB 3.84Å; F21-D252 HydrophobicContact CE1-CB 4.36Å; F21-D252 HydrophobicContact CE2-CB 3.97Å; F21-D252 HydrophobicContact CG-CB 3.99Å; F21-D252 HydrophobicContact CZ-CB 4.23Å; D252-N255 PolarHBondContact O-N 2.95Å; D252-A256 WeakPolarHBondContact O-CB 3.46Å; D252-A256 PolarHBondContact O-N 3.49Å |
| 253 | Y | 98.8 | Very high | 98.1 | Very high | 11 Ų | 11 | 50.8 Ų | 50.8 | 4% | 0.043 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.4 | -48 | 172.3 | 172.5 | -124.3 | 0 | 0 | 0 | 112 | K20 L24 D211 I215 T249 G251 N255 A256 L257 | K20-Y253 HydrophobicContact CB-CD1 3.76Å; K20-Y253 HydrophobicContact CB-CD2 3.83Å; K20-Y253 HydrophobicContact CB-CE1 4.02Å; K20-Y253 HydrophobicContact CB-CE2 4.1Å; K20-Y253 HydrophobicContact CB-CG 3.64Å; K20-Y253 HydrophobicContact CD-CD1 3.77Å; K20-Y253 HydrophobicContact CD-CE1 3.69Å; K20-Y253 HydrophobicContact CG-CD1 4.44Å; K20-Y253 HydrophobicContact CG-CE1 4.46Å; K20-Y253 WeakPolarHBondContact O-CD2 3.2Å; L24-Y253 HydrophobicContact CB-CD2 4.21Å; L24-Y253 HydrophobicContact CB-CE2 4.26Å; L24-Y253 HydrophobicContact CD2-CD2 3.96Å; L24-Y253 HydrophobicContact CD2-CE2 4.17Å; D211-Y253 VanDerWaalsContact OD1-CE1 3.26Å; D211-Y253 WeakPolarHBondContact OD1-CE1 3.19Å; D211-Y253 PolarHBondContact OD1-OH 3.26Å; I215-Y253 HydrophobicContact CD1-CE2 3.83Å; I215-Y253 HydrophobicContact CG1-CE2 3.77Å; T249-Y253 HydrophobicContact CG2-CD1 4.2Å; T249-Y253 HydrophobicContact CG2-CE1 3.67Å; G251-Y253 PolarHBondContact O-N 2.91Å; Y253-N255 PolarHBondContact O-N 3.23Å; Y253-A256 PolarHBondContact O-N 3Å; Y253-L257 HydrophobicContact CD1-CD1 4.44Å; Y253-L257 HydrophobicContact CD2-CD1 4.24Å; Y253-L257 HydrophobicContact CD2-CG 4.21Å; Y253-L257 HydrophobicContact CE1-CD1 3.91Å; Y253-L257 HydrophobicContact CE2-CD1 3.65Å; Y253-L257 HydrophobicContact CE2-CD2 4.18Å; Y253-L257 HydrophobicContact CE2-CG 3.84Å; Y253-L257 VanDerWaalsContact CZ-CD1 3.5Å; Y253-L257 WeakPolarHBondContact O-CG 3.35Å; Y253-L257 PolarHBondContact O-N 3.38Å |
| 254 | K | 98.8 | Very high | 97.8 | Very high | 57 Ų | 57 | 50.9 Ų | 50.9 | 25% | 0.248 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.6 | -49 | 173.9 | 176 | 177.6 | 57.3 | -178.1 | 0 | 111.3 | I245 M246 T249 S250 G251 A256 L257 L258 | I245-K254 HydrophobicContact CG2-CG 4.45Å; M246-K254 HydrophobicContact CG-CD 4.39Å; T249-K254 WeakPolarHBondContact O-CD 3.4Å; T249-K254 WeakPolarHBondContact OG1-CA 3.45Å; T249-K254 VanDerWaalsContact OG1-CB 3.23Å; T249-K254 WeakPolarHBondContact OG1-CB 3.46Å; T249-K254 WeakPolarHBondContact OG1-CG 3.41Å; S250-K254 PolarHBondContact O-N 3.16Å; G251-K254 WeakPolarHBondContact O-CB 3.28Å; G251-K254 PolarHBondContact O-N 3.37Å; K254-A256 VanDerWaalsContact C-N 3.3Å; K254-A256 PolarHBondContact O-N 3.44Å; K254-L257 PolarHBondContact O-N 3.14Å; K254-L258 HydrophobicContact CD-CD1 4.16Å; K254-L258 HydrophobicContact CG-CD1 3.7Å; K254-L258 HydrophobicContact CG-CG 4.17Å; K254-L258 WeakPolarHBondContact O-CG 3.07Å; K254-L258 PolarHBondContact O-N 3.08Å |
| 255 | N | 98.6 | Very high | 97 | Very high | 89 Ų | 89 | 56.9 Ų | 56.9 | 48% | 0.476 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.5 | -41.8 | -175.2 | -65 | -22.7 | 0 | 0 | 0 | 111.2 | G251 D252 Y253 L258 S259 | G251-N255 PolarHBondContact O-N 3.39Å; D252-N255 PolarHBondContact O-N 2.95Å; Y253-N255 PolarHBondContact O-N 3.23Å; N255-L258 PolarHBondContact O-N 3.22Å; N255-S259 WeakPolarHBondContact O-CB 3.4Å; N255-S259 PolarHBondContact O-N 3.25Å |
| 256 | A | 98.6 | Very high | 96.9 | Very high | 16 Ų | 16 | 59.8 Ų | 59.8 | 13% | 0.132 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.6 | -45.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F21 L24 D252 Y253 K254 L258 S259 L260 | F21-A256 HydrophobicContact CD2-CB 4.23Å; F21-A256 HydrophobicContact CE2-CB 3.95Å; L24-A256 HydrophobicContact CD2-CB 3.52Å; D252-A256 WeakPolarHBondContact O-CB 3.46Å; D252-A256 PolarHBondContact O-N 3.49Å; Y253-A256 PolarHBondContact O-N 3Å; K254-A256 VanDerWaalsContact C-N 3.3Å; K254-A256 PolarHBondContact O-N 3.44Å; A256-L258 PolarHBondContact O-N 3.43Å; A256-S259 WeakPolarHBondContact O-CB 3.33Å; A256-S259 PolarHBondContact O-N 3.38Å; A256-L260 VanDerWaalsContact O-CD1 3.22Å; A256-L260 WeakPolarHBondContact O-CD1 3.44Å; A256-L260 PolarHBondContact O-N 2.69Å |
| 257 | L | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58 | -46.7 | 175.3 | -74.7 | 179.9 | 0 | 0 | 0 | 112.2 | L24 L214 I218 I245 T249 Y253 K254 S259 L260 V261 | L24-L257 HydrophobicContact CD1-CD2 4.02Å; L24-L257 HydrophobicContact CD2-CD2 3.71Å; L24-L257 HydrophobicContact CD2-CG 3.85Å; L214-L257 HydrophobicContact CD2-CD1 3.82Å; L214-L257 HydrophobicContact CG-CD1 4.29Å; I218-L257 HydrophobicContact CD1-CD2 3.83Å; I218-L257 HydrophobicContact CG2-CD2 4.4Å; I245-L257 HydrophobicContact CG2-CB 3.92Å; I245-L257 HydrophobicContact CG2-CD1 4.04Å; T249-L257 HydrophobicContact CG2-CD1 4.09Å; Y253-L257 HydrophobicContact CD1-CD1 4.44Å; Y253-L257 HydrophobicContact CD2-CD1 4.24Å; Y253-L257 HydrophobicContact CD2-CG 4.21Å; Y253-L257 HydrophobicContact CE1-CD1 3.91Å; Y253-L257 HydrophobicContact CE2-CD1 3.65Å; Y253-L257 HydrophobicContact CE2-CD2 4.18Å; Y253-L257 HydrophobicContact CE2-CG 3.84Å; Y253-L257 VanDerWaalsContact CZ-CD1 3.5Å; Y253-L257 WeakPolarHBondContact O-CG 3.35Å; Y253-L257 PolarHBondContact O-N 3.38Å; K254-L257 PolarHBondContact O-N 3.14Å; L257-S259 VanDerWaalsContact C-N 3.3Å; L257-S259 PolarHBondContact O-N 3.07Å; L257-L260 WeakPolarHBondContact O-CB 3.35Å; L257-L260 PolarHBondContact O-N 3.2Å; L257-V261 WeakPolarHBondContact O-CG2 3.39Å; L257-V261 PolarHBondContact O-N 3.38Å |
| 258 | L | 98.7 | Very high | 96.8 | Very high | 41 Ų | 41 | 53.6 Ų | 53.6 | 22% | 0.215 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.5 | -36.6 | 178.6 | -67.5 | 174.4 | 0 | 0 | 0 | 111.9 | I245 M246 K254 N255 A256 L260 V261 G262 | I245-L258 HydrophobicContact CB-CD2 4.12Å; I245-L258 HydrophobicContact CG2-CD2 3.85Å; I245-L258 HydrophobicContact CG2-CG 4.1Å; M246-L258 HydrophobicContact CG-CD1 3.73Å; M246-L258 HydrophobicContact CG-CD2 4.09Å; M246-L258 HydrophobicContact SD-CD1 4.47Å; K254-L258 HydrophobicContact CD-CD1 4.16Å; K254-L258 HydrophobicContact CG-CD1 3.7Å; K254-L258 HydrophobicContact CG-CG 4.17Å; K254-L258 WeakPolarHBondContact O-CG 3.07Å; K254-L258 PolarHBondContact O-N 3.08Å; N255-L258 PolarHBondContact O-N 3.22Å; A256-L258 PolarHBondContact O-N 3.43Å; L258-L260 VanDerWaalsContact C-N 3.34Å; L258-V261 PolarHBondContact O-N 2.69Å; L258-G262 PolarHBondContact O-N 3.25Å |
| 259 | S | 98.4 | Very high | 96.8 | Very high | 95 Ų | 95 | 53.8 Ų | 53.8 | 66% | 0.664 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.7 | -39.1 | 174.3 | -169.6 | 0 | 0 | 0 | 0 | 112.1 | N255 A256 L257 | N255-S259 WeakPolarHBondContact O-CB 3.4Å; N255-S259 PolarHBondContact O-N 3.25Å; A256-S259 WeakPolarHBondContact O-CB 3.33Å; A256-S259 PolarHBondContact O-N 3.38Å; L257-S259 VanDerWaalsContact C-N 3.3Å; L257-S259 PolarHBondContact O-N 3.07Å |
| 260 | L | 97.5 | Very high | 96.7 | Very high | 46 Ų | 46 | 56.6 Ų | 56.6 | 24% | 0.241 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -68.8 | -42.9 | 175.5 | -95.1 | 69.9 | 0 | 0 | 0 | 112 | L24 L28 I218 V219 A256 L257 L258 G262 | L24-L260 HydrophobicContact CD1-CD2 4.13Å; L28-L260 HydrophobicContact CD1-CD1 3.85Å; L28-L260 HydrophobicContact CD1-CD2 4.08Å; L28-L260 HydrophobicContact CD1-CG 4.5Å; L28-L260 HydrophobicContact CD2-CD2 3.75Å; L28-L260 HydrophobicContact CD2-CG 4.41Å; L28-L260 HydrophobicContact CG-CD2 4.33Å; I218-L260 HydrophobicContact CG2-CB 4.03Å; I218-L260 HydrophobicContact CG2-CD2 3.85Å; V219-L260 HydrophobicContact CG2-CD2 4.26Å; A256-L260 VanDerWaalsContact O-CD1 3.22Å; A256-L260 WeakPolarHBondContact O-CD1 3.44Å; A256-L260 PolarHBondContact O-N 2.69Å; L257-L260 WeakPolarHBondContact O-CB 3.35Å; L257-L260 PolarHBondContact O-N 3.2Å; L258-L260 VanDerWaalsContact C-N 3.34Å; L260-G262 PolarHBondContact O-N 3Å |
| 261 | V | 98.2 | Very high | 96.6 | Very high | 5 Ų | 5 | 54.3 Ų | 54.3 | 3% | 0.03 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.6 | -31.8 | 178.6 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | I218 K230 L241 S242 I245 L257 L258 D264 | I218-V261 HydrophobicContact CD1-CG2 4.17Å; I218-V261 HydrophobicContact CG2-CG2 4.46Å; K230-V261 HydrophobicContact CD-CG1 3.96Å; K230-V261 HydrophobicContact CG-CG1 4.39Å; K230-V261 PolarHBondContact NZ-O 3.43Å; L241-V261 HydrophobicContact CD2-CG1 4.27Å; L241-V261 HydrophobicContact CD2-CG2 4.08Å; S242-V261 VanDerWaalsContact OG-CG1 3.31Å; S242-V261 WeakPolarHBondContact OG-CG1 3.45Å; I245-V261 HydrophobicContact CD1-CG2 3.74Å; L257-V261 WeakPolarHBondContact O-CG2 3.39Å; L257-V261 PolarHBondContact O-N 3.38Å; L258-V261 PolarHBondContact O-N 2.69Å; V261-D264 HydrophobicContact CG1-CB 4.45Å |
| 262 | G | 96.9 | Very high | 96.5 | Very high | 38 Ų | 38 | 54.9 Ų | 54.9 | 39% | 0.392 | 34% | 0.339 | S | S | . | . | trans | 66.8 | -161 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L258 L260 D264 | L258-G262 PolarHBondContact O-N 3.25Å; L260-G262 PolarHBondContact O-N 3Å; G262-D264 PolarHBondContact O-N 2.97Å | ||
| 263 | S | 95.2 | Very high | 96.3 | Very high | 105 Ų | 105 | 51.2 Ų | 51.2 | 73% | 0.734 | 32% | 0.323 | S | S | * | . | trans | -60.5 | 124.5 | -178.3 | -176.5 | 0 | 0 | 0 | 0 | 112.2 | K230 | K230-S263 PolarHBondContact NZ-O 3.47Š| ||
| 264 | D | 93.1 | Very high | 96.1 | Very high | 26 Ų | 26 | 54.5 Ų | 54.5 | 14% | 0.139 | 35% | 0.346 | C | S | . | . | trans | -133 | 71.3 | -173.1 | -163.1 | 19.2 | 0 | 0 | 0 | 111.2 | K230 T240 L241 S242 V261 G262 | K230-D264 VanDerWaalsContact CE-CG 3.47Å; K230-D264 WeakPolarHBondContact CE-OD1 3.33Å; T240-D264 WeakPolarHBondContact CB-OD2 3.43Å; L241-D264 PolarHBondContact N-OD2 2.94Å; L241-D264 VanDerWaalsContact N-OD2 3.14Å; S242-D264 WeakPolarHBondContact CB-OD2 3.39Å; S242-D264 PolarHBondContact N-OD2 3.32Å; S242-D264 WeakPolarHBondContact OG-CB 3.49Å; S242-D264 PolarHBondContact OG-OD2 3.47Å; V261-D264 HydrophobicContact CG1-CB 4.45Å; G262-D264 PolarHBondContact O-N 2.97Å | ||
| 265 | P | 80.8 | Confident | 95.9 | Very high | 136 Ų | 136 | 54.3 Ų | 54.3 | 88% | 0.883 | 36% | 0.355 | S | S | * | . | trans | -73.7 | 0 | -173.4 | 31.8 | -36.2 | 0 | 0 | 0 | 113.4 | K234 | K234-P265 PolarHBondContact NZ-O 3.13Å; K234-P265 PolarHBondContact NZ-OXT 2.89Å |
Retrieved 265 of 265 residues in 264 ms
(Link to these results)