| 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 | 41.1 | Very low | 74 | Confident | 203 Ų | 203 | 89.4 Ų | 89.4 | 100% | 1 | 51% | 0.505 | S | S | * | . | 0 | 148.6 | 0 | -57.1 | -178.5 | -158.2 | 0 | 0 | 107.3 | |||||
| 2 | G | 49.3 | Very low | 74.8 | Confident | 67 Ų | 67 | 87.8 Ų | 87.8 | 69% | 0.691 | 49% | 0.489 | S | S | * | . | trans | -60.5 | 162.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | V4 | G2-V4 PolarHBondContact O-N 3.14Š| ||
| 3 | S | 59.5 | Low | 75.8 | Confident | 128 Ų | 128 | 81.1 Ų | 81.1 | 90% | 0.895 | 45% | 0.451 | S | S | * | . | trans | -60.2 | 90.9 | -175.5 | 53.6 | 0 | 0 | 0 | 0 | 112.1 | S5 | S3-S5 PolarHBondContact O-N 2.95Š| ||
| 4 | V | 71 | Confident | 76.4 | Confident | 40 Ų | 40 | 79.7 Ų | 79.7 | 24% | 0.242 | 44% | 0.442 | C | S | . | . | trans | -61.7 | 127.6 | 161.9 | -177 | 0 | 0 | 0 | 0 | 105.8 | G2 E8 V9 | G2-V4 PolarHBondContact O-N 3.14Å; V4-E8 HydrophobicContact CG1-CB 3.67Å; V4-E8 HydrophobicContact CG1-CG 3.81Å; V4-V9 HydrophobicContact CB-CG2 4.12Å; V4-V9 HydrophobicContact CG1-CG2 3.7Å | ||
| 5 | S | 84 | Confident | 76.5 | Confident | 60 Ų | 60 | 81.3 Ų | 81.3 | 42% | 0.42 | 45% | 0.445 | S | S | . | . | trans | -64.9 | 152.9 | 178.5 | 60.1 | 0 | 0 | 0 | 0 | 110.4 | S3 D7 E8 V9 | S3-S5 PolarHBondContact O-N 2.95Å; S5-D7 PolarHBondContact O-N 3.08Å; S5-E8 PolarHBondContact O-N 2.82Å; S5-E8 WeakPolarHBondContact OG-CB 3.13Å; S5-E8 PolarHBondContact OG-N 3.19Å; S5-V9 PolarHBondContact O-N 2.84Å | ||
| 6 | D | 84.5 | Confident | 76.8 | Confident | 101 Ų | 101 | 76.7 Ų | 76.7 | 54% | 0.54 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -51.8 | -39.8 | 174.9 | -75.9 | -1.6 | 0 | 0 | 0 | 111.3 | E8 V9 E10 I35 | D6-E8 PolarHBondContact O-N 3.2Å; D6-V9 PolarHBondContact O-N 3.12Å; D6-E10 WeakPolarHBondContact O-CB 3.36Å; D6-E10 PolarHBondContact O-N 2.84Å; D6-I35 HydrophobicContact CB-CD1 3.6Å; D6-I35 WeakPolarHBondContact OD2-CD1 3.21Å |
| 7 | D | 84.1 | Confident | 77 | Confident | 131 Ų | 131 | 72.3 Ų | 72.3 | 70% | 0.701 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -62.7 | -39 | 173.8 | -56.5 | -41.6 | 0 | 0 | 0 | 113.6 | S5 E10 R11 | S5-D7 PolarHBondContact O-N 3.08Å; D7-E10 PolarHBondContact O-N 3.42Å; D7-R11 WeakPolarHBondContact O-CB 3.37Å; D7-R11 PolarHBondContact O-N 3.09Å |
| 8 | E | 83.7 | Confident | 76.7 | Confident | 73 Ų | 73 | 74.8 Ų | 74.8 | 34% | 0.341 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -77.2 | -30.7 | 178.7 | -171.8 | -174.1 | 176.1 | 0 | 0 | 111.6 | V4 S5 D6 K12 | V4-E8 HydrophobicContact CG1-CB 3.67Å; V4-E8 HydrophobicContact CG1-CG 3.81Å; S5-E8 PolarHBondContact O-N 2.82Å; S5-E8 WeakPolarHBondContact OG-CB 3.13Å; S5-E8 PolarHBondContact OG-N 3.19Å; D6-E8 PolarHBondContact O-N 3.2Å; E8-K12 VanDerWaalsContact CD-NZ 3.35Å; E8-K12 HydrophobicContact CG-CD 4.34Å; E8-K12 WeakPolarHBondContact O-CB 3.45Å; E8-K12 WeakPolarHBondContact O-CG 3.43Å; E8-K12 PolarHBondContact O-N 2.92Å; E8-K12 WeakPolarHBondContact OE1-CE 3.16Å; E8-K12 IonicContact OE1-NZ 3.28Å; E8-K12 PolarHBondContact OE1-NZ 2.82Å |
| 9 | V | 85 | Confident | 76.2 | Confident | 2 Ų | 2 | 72.3 Ų | 72.3 | 1% | 0.012 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.2 | -48.3 | 167.1 | 177.7 | 0 | 0 | 0 | 0 | 109.8 | V4 S5 D6 R11 K12 F13 I35 K38 L39 L42 | V4-V9 HydrophobicContact CB-CG2 4.12Å; V4-V9 HydrophobicContact CG1-CG2 3.7Å; S5-V9 PolarHBondContact O-N 2.84Å; D6-V9 PolarHBondContact O-N 3.12Å; V9-R11 PolarHBondContact O-N 3.04Å; V9-K12 PolarHBondContact O-N 3.37Å; V9-F13 VanDerWaalsContact O-CB 3.26Å; V9-F13 WeakPolarHBondContact O-CB 3.05Å; V9-F13 PolarHBondContact O-N 2.66Å; V9-I35 HydrophobicContact CB-CG2 4.25Å; V9-I35 HydrophobicContact CG1-CG2 3.94Å; V9-I35 HydrophobicContact CG2-CG2 4.48Å; V9-K38 HydrophobicContact CG1-CB 4.24Å; V9-L39 HydrophobicContact CG1-CD2 3.98Å; V9-L39 HydrophobicContact CG1-CG 3.82Å; V9-L39 HydrophobicContact CG2-CD1 4.37Å; V9-L39 HydrophobicContact CG2-CD2 3.67Å; V9-L39 HydrophobicContact CG2-CG 4.04Å; V9-L42 HydrophobicContact CG1-CD1 4.17Å |
| 10 | E | 87 | Confident | 76.1 | Confident | 52 Ų | 52 | 72.7 Ų | 72.7 | 24% | 0.243 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.7 | -47.1 | 179.1 | -164.7 | 61.3 | -140.3 | 0 | 0 | 111 | D6 D7 K12 F13 L14 K38 | D6-E10 WeakPolarHBondContact O-CB 3.36Å; D6-E10 PolarHBondContact O-N 2.84Å; D7-E10 PolarHBondContact O-N 3.42Å; E10-K12 PolarHBondContact O-N 3.19Å; E10-F13 PolarHBondContact O-N 3.3Å; E10-L14 HydrophobicContact CG-CD1 4.35Å; E10-L14 WeakPolarHBondContact O-CB 3.41Å; E10-L14 WeakPolarHBondContact O-CG 3.45Å; E10-L14 PolarHBondContact O-N 3.28Å; E10-K38 IonicContact OE1-NZ 3.42Å; E10-K38 PolarHBondContact OE1-NZ 2.62Å; E10-K38 WeakPolarHBondContact OE2-CD 3.43Å; E10-K38 IonicContact OE2-NZ 2.74Å; E10-K38 PolarHBondContact OE2-NZ 3.29Å |
| 11 | R | 84.8 | Confident | 75.4 | Confident | 126 Ų | 126 | 70.5 Ų | 70.5 | 48% | 0.475 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -58.7 | -44.7 | 176.3 | -166.7 | -164.6 | 63.6 | 67.5 | -2.2 | 112.3 | D7 V9 Q15 | D7-R11 WeakPolarHBondContact O-CB 3.37Å; D7-R11 PolarHBondContact O-N 3.09Å; V9-R11 PolarHBondContact O-N 3.04Å; R11-Q15 WeakPolarHBondContact O-CB 3.37Å; R11-Q15 PolarHBondContact O-N 2.94Å |
| 12 | K | 84 | Confident | 76.8 | Confident | 71 Ų | 71 | 63.3 Ų | 63.3 | 31% | 0.309 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.6 | -35.8 | 177 | -75.4 | 172.8 | -175.6 | 162.7 | 0 | 112.1 | E8 V9 E10 Q15 M16 L42 | E8-K12 VanDerWaalsContact CD-NZ 3.35Å; E8-K12 HydrophobicContact CG-CD 4.34Å; E8-K12 WeakPolarHBondContact O-CB 3.45Å; E8-K12 WeakPolarHBondContact O-CG 3.43Å; E8-K12 PolarHBondContact O-N 2.92Å; E8-K12 WeakPolarHBondContact OE1-CE 3.16Å; E8-K12 IonicContact OE1-NZ 3.28Å; E8-K12 PolarHBondContact OE1-NZ 2.82Å; V9-K12 PolarHBondContact O-N 3.37Å; E10-K12 PolarHBondContact O-N 3.19Å; K12-Q15 PolarHBondContact O-N 3.07Å; K12-M16 WeakPolarHBondContact O-CB 3.38Å; K12-M16 PolarHBondContact O-N 3.2Å; K12-L42 HydrophobicContact CB-CD1 3.99Å; K12-L42 HydrophobicContact CB-CD2 4.14Å |
| 13 | F | 87.7 | Confident | 77.4 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69 | -42.9 | 177.8 | -175.5 | -102.3 | 0 | 0 | 0 | 111.6 | V9 E10 M16 L17 L30 K38 M41 L42 | V9-F13 VanDerWaalsContact O-CB 3.26Å; V9-F13 WeakPolarHBondContact O-CB 3.05Å; V9-F13 PolarHBondContact O-N 2.66Å; E10-F13 PolarHBondContact O-N 3.3Å; F13-M16 HydrophobicContact CD2-CE 3.55Å; F13-M16 HydrophobicContact CE2-CE 3.46Å; F13-M16 VanDerWaalsContact CE2-CE 3.46Å; F13-M16 HydrophobicContact CZ-CE 4.35Å; F13-M16 WeakPolarHBondContact O-CB 3.4Å; F13-M16 PolarHBondContact O-N 3.39Å; F13-L17 HydrophobicContact CD1-CD1 3.88Å; F13-L17 HydrophobicContact CD1-CG 4.26Å; F13-L17 HydrophobicContact CE1-CD1 3.44Å; F13-L17 VanDerWaalsContact CE1-CD1 3.44Å; F13-L17 HydrophobicContact CE1-CD2 4.38Å; F13-L17 HydrophobicContact CE1-CG 3.96Å; F13-L17 HydrophobicContact CZ-CD1 4.07Å; F13-L17 HydrophobicContact CZ-CD2 4.18Å; F13-L17 HydrophobicContact CZ-CG 4.21Å; F13-L17 WeakPolarHBondContact O-CG 3.5Å; F13-L17 PolarHBondContact O-N 3.18Å; F13-L30 VanDerWaalsContact CE1-O 3.31Å; F13-L30 WeakPolarHBondContact CE1-O 3.34Å; F13-L30 HydrophobicContact CZ-CB 4.27Å; F13-L30 WeakPolarHBondContact CZ-O 3.42Å; F13-K38 HydrophobicContact CB-CB 4.23Å; F13-K38 HydrophobicContact CB-CD 4.23Å; F13-K38 HydrophobicContact CD1-CB 4.37Å; F13-K38 HydrophobicContact CD1-CD 3.5Å; F13-K38 VanDerWaalsContact CD1-CD 3.5Å; F13-K38 HydrophobicContact CD1-CG 3.81Å; F13-K38 HydrophobicContact CD2-CB 3.53Å; F13-K38 HydrophobicContact CD2-CD 4.24Å; F13-K38 HydrophobicContact CD2-CG 3.73Å; F13-K38 HydrophobicContact CE1-CD 3.8Å; F13-K38 HydrophobicContact CE1-CG 3.81Å; F13-K38 HydrophobicContact CE2-CB 3.89Å; F13-K38 HydrophobicContact CE2-CG 3.74Å; F13-K38 HydrophobicContact CG-CB 3.79Å; F13-K38 HydrophobicContact CG-CD 3.73Å; F13-K38 HydrophobicContact CG-CG 3.76Å; F13-K38 HydrophobicContact CZ-CB 4.45Å; F13-K38 HydrophobicContact CZ-CD 4.31Å; F13-K38 HydrophobicContact CZ-CG 3.79Å; F13-M41 HydrophobicContact CE2-CB 4.15Å; F13-M41 HydrophobicContact CE2-CE 3.94Å; F13-M41 HydrophobicContact CE2-SD 3.82Å; F13-M41 HydrophobicContact CZ-CE 4.21Å; F13-M41 HydrophobicContact CZ-SD 4.16Å; F13-L42 HydrophobicContact CB-CD1 4.18Å; F13-L42 HydrophobicContact CD2-CG 4.42Å |
| 14 | L | 83.9 | Confident | 77.9 | Confident | 62 Ų | 62 | 61.5 Ų | 61.5 | 33% | 0.325 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.8 | -46.9 | 171.5 | -69.9 | 173.6 | 0 | 0 | 0 | 111 | E10 M16 L17 E18 R31 | E10-L14 HydrophobicContact CG-CD1 4.35Å; E10-L14 WeakPolarHBondContact O-CB 3.41Å; E10-L14 WeakPolarHBondContact O-CG 3.45Å; E10-L14 PolarHBondContact O-N 3.28Å; L14-M16 VanDerWaalsContact C-N 3.28Å; L14-M16 PolarHBondContact O-N 3.43Å; L14-L17 PolarHBondContact O-N 3.04Å; L14-L17 VanDerWaalsContact O-N 3.13Å; L14-E18 VanDerWaalsContact O-CB 3.26Å; L14-E18 WeakPolarHBondContact O-CB 3.27Å; L14-E18 PolarHBondContact O-N 3.27Å; L14-R31 HydrophobicContact CD2-CG 4.27Å |
| 15 | Q | 77.7 | Confident | 78 | Confident | 104 Ų | 104 | 67.2 Ų | 67.2 | 49% | 0.486 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.4 | -33.5 | 175.6 | -170.6 | 169.7 | 17.8 | 0 | 0 | 112.7 | R11 K12 D19 | R11-Q15 WeakPolarHBondContact O-CB 3.37Å; R11-Q15 PolarHBondContact O-N 2.94Å; K12-Q15 PolarHBondContact O-N 3.07Å; Q15-D19 VanDerWaalsContact O-CB 3.26Å; Q15-D19 WeakPolarHBondContact O-CB 3.21Å; Q15-D19 PolarHBondContact O-N 3.03Å |
| 16 | M | 81.7 | Confident | 77.5 | Confident | 7 Ų | 7 | 69 Ų | 69 | 3% | 0.034 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -70.9 | -39.6 | 173.3 | -179.7 | -161.3 | 75.2 | 0 | 0 | 112.2 | K12 F13 L14 M20 M41 L42 Y45 | K12-M16 WeakPolarHBondContact O-CB 3.38Å; K12-M16 PolarHBondContact O-N 3.2Å; F13-M16 HydrophobicContact CD2-CE 3.55Å; F13-M16 HydrophobicContact CE2-CE 3.46Å; F13-M16 VanDerWaalsContact CE2-CE 3.46Å; F13-M16 HydrophobicContact CZ-CE 4.35Å; F13-M16 WeakPolarHBondContact O-CB 3.4Å; F13-M16 PolarHBondContact O-N 3.39Å; L14-M16 VanDerWaalsContact C-N 3.28Å; L14-M16 PolarHBondContact O-N 3.43Å; M16-M20 HydrophobicContact CE-SD 4.4Å; M16-M20 HydrophobicContact CG-SD 4.32Å; M16-M20 VanDerWaalsContact O-CB 3.25Å; M16-M20 WeakPolarHBondContact O-CB 3.5Å; M16-M20 VanDerWaalsContact O-CG 3.23Å; M16-M20 WeakPolarHBondContact O-CG 3.23Å; M16-M20 PolarHBondContact O-N 3.01Å; M16-M41 HydrophobicContact CE-CB 4.19Å; M16-M41 HydrophobicContact CE-CE 4.09Å; M16-L42 HydrophobicContact CB-CD2 3.8Å; M16-L42 HydrophobicContact CG-CD2 4.24Å; M16-L42 HydrophobicContact SD-CD2 3.78Å; M16-L42 HydrophobicContact SD-CG 4.19Å; M16-Y45 HydrophobicContact CG-CD1 3.68Å; M16-Y45 HydrophobicContact CG-CD2 3.81Å; M16-Y45 HydrophobicContact CG-CE1 3.94Å; M16-Y45 HydrophobicContact CG-CE2 4.08Å; M16-Y45 HydrophobicContact CG-CG 3.61Å; M16-Y45 HydrophobicContact SD-CD1 4.27Å; M16-Y45 HydrophobicContact SD-CD2 4.17Å; M16-Y45 HydrophobicContact SD-CG 3.78Å |
| 17 | L | 80.5 | Confident | 77.3 | Confident | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68 | -38.8 | 176.9 | -70.5 | -179.7 | 0 | 0 | 0 | 112.2 | F13 L14 N21 L22 T27 L30 R31 | F13-L17 HydrophobicContact CD1-CD1 3.88Å; F13-L17 HydrophobicContact CD1-CG 4.26Å; F13-L17 HydrophobicContact CE1-CD1 3.44Å; F13-L17 VanDerWaalsContact CE1-CD1 3.44Å; F13-L17 HydrophobicContact CE1-CD2 4.38Å; F13-L17 HydrophobicContact CE1-CG 3.96Å; F13-L17 HydrophobicContact CZ-CD1 4.07Å; F13-L17 HydrophobicContact CZ-CD2 4.18Å; F13-L17 HydrophobicContact CZ-CG 4.21Å; F13-L17 WeakPolarHBondContact O-CG 3.5Å; F13-L17 PolarHBondContact O-N 3.18Å; L14-L17 PolarHBondContact O-N 3.04Å; L14-L17 VanDerWaalsContact O-N 3.13Å; L17-N21 PolarHBondContact O-N 3.08Å; L17-N21 VanDerWaalsContact O-N 3.14Å; L17-L22 HydrophobicContact CD2-CD1 4.11Å; L17-T27 HydrophobicContact CB-CG2 4.16Å; L17-T27 HydrophobicContact CD1-CG2 4.21Å; L17-T27 HydrophobicContact CD2-CG2 4.49Å; L17-L30 HydrophobicContact CD1-CB 4.2Å; L17-L30 HydrophobicContact CD2-CB 4.02Å; L17-L30 HydrophobicContact CD2-CD1 3.56Å; L17-L30 HydrophobicContact CD2-CG 4.44Å; L17-R31 HydrophobicContact CD1-CG 4Å |
| 18 | E | 71 | Confident | 77.1 | Confident | 117 Ų | 117 | 62.3 Ų | 62.3 | 55% | 0.547 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63 | -48.6 | 172.3 | 179.1 | 174.7 | -117.7 | 0 | 0 | 110.7 | L14 M20 N21 | L14-E18 VanDerWaalsContact O-CB 3.26Å; L14-E18 WeakPolarHBondContact O-CB 3.27Å; L14-E18 PolarHBondContact O-N 3.27Å; E18-M20 PolarHBondContact O-N 3.07Å; E18-N21 WeakPolarHBondContact O-CA 3.47Å; E18-N21 PolarHBondContact O-N 3.09Å |
| 19 | D | 68.2 | Low | 77 | Confident | 28 Ų | 28 | 62.4 Ų | 62.4 | 15% | 0.15 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.2 | -46.1 | 175.3 | -162.2 | 6.6 | 0 | 0 | 0 | 111.4 | Q15 N21 Y45 G89 V90 S91 | Q15-D19 VanDerWaalsContact O-CB 3.26Å; Q15-D19 WeakPolarHBondContact O-CB 3.21Å; Q15-D19 PolarHBondContact O-N 3.03Å; D19-N21 PolarHBondContact O-N 3.26Å; D19-Y45 PolarHBondContact OD2-OH 3.27Å; D19-G89 CarbonylContact O-C 3.59Å; D19-G89 WeakPolarHBondContact O-CA 3.34Å; D19-G89 VanDerWaalsContact OD1-C 3.29Å; D19-G89 VanDerWaalsContact OD1-CA 3.28Å; D19-G89 WeakPolarHBondContact OD1-CA 3.39Å; D19-V90 PolarHBondContact O-N 3.01Å; D19-V90 PolarHBondContact OD1-N 3Å; D19-V90 VanDerWaalsContact OD1-N 3.11Å; D19-S91 WeakPolarHBondContact OD1-CB 3.42Å; D19-S91 PolarHBondContact OD1-N 2.65Å; D19-S91 PolarHBondContact OD1-OG 2.96Å; D19-S91 WeakPolarHBondContact OD2-CB 3.22Å; D19-S91 PolarHBondContact OD2-OG 3.49Å |
| 20 | M | 73.1 | Confident | 77 | Confident | 80 Ų | 80 | 63.8 Ų | 63.8 | 39% | 0.394 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -7.1 | 172.1 | -75.9 | -174.4 | 65.3 | 0 | 0 | 114.6 | M16 E18 L22 Y45 | M16-M20 HydrophobicContact CE-SD 4.4Å; M16-M20 HydrophobicContact CG-SD 4.32Å; M16-M20 VanDerWaalsContact O-CB 3.25Å; M16-M20 WeakPolarHBondContact O-CB 3.5Å; M16-M20 VanDerWaalsContact O-CG 3.23Å; M16-M20 WeakPolarHBondContact O-CG 3.23Å; M16-M20 PolarHBondContact O-N 3.01Å; E18-M20 PolarHBondContact O-N 3.07Å; M20-L22 VanDerWaalsContact C-N 3.33Å; M20-L22 HydrophobicContact CB-CD1 4.39Å; M20-L22 HydrophobicContact CB-CG 4.26Å; M20-L22 HydrophobicContact CE-CD1 4.3Å; M20-L22 PolarHBondContact O-N 3.08Å; M20-Y45 HydrophobicContact CG-CD2 4.21Å; M20-Y45 HydrophobicContact CG-CE2 3.58Å; M20-Y45 HydrophobicContact SD-CD2 4.11Å; M20-Y45 HydrophobicContact SD-CE2 4.1Å |
| 21 | N | 61.7 | Low | 76.9 | Confident | 26 Ų | 26 | 66.7 Ų | 66.7 | 14% | 0.139 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 43.5 | 168.6 | -151.4 | -10.5 | 0 | 0 | 0 | 114.4 | L17 E18 D19 V90 E947 E948 G949 | L17-N21 PolarHBondContact O-N 3.08Å; L17-N21 VanDerWaalsContact O-N 3.14Å; E18-N21 WeakPolarHBondContact O-CA 3.47Å; E18-N21 PolarHBondContact O-N 3.09Å; D19-N21 PolarHBondContact O-N 3.26Å; N21-V90 HydrophobicContact CB-CG2 3.97Å; N21-V90 WeakPolarHBondContact ND2-CG2 3.4Å; N21-E947 PolarHBondContact OD1-O 3.46Å; N21-E948 PolarHBondContact ND2-O 3.45Å; N21-G949 WeakPolarHBondContact ND2-CA 3.46Å; N21-G949 PolarHBondContact ND2-N 3.19Å; N21-G949 WeakPolarHBondContact OD1-CA 3.3Å; N21-G949 PolarHBondContact OD1-N 3.16Å |
| 22 | L | 71.2 | Confident | 77 | Confident | 53 Ų | 53 | 68.2 Ų | 68.2 | 28% | 0.277 | 34% | 0.343 | S | S | . | . | trans | -88.9 | 140.2 | 176.9 | -64 | 173.8 | 0 | 0 | 0 | 110.2 | L17 M20 Q26 T27 L30 | L17-L22 HydrophobicContact CD2-CD1 4.11Å; M20-L22 VanDerWaalsContact C-N 3.33Å; M20-L22 HydrophobicContact CB-CD1 4.39Å; M20-L22 HydrophobicContact CB-CG 4.26Å; M20-L22 HydrophobicContact CE-CD1 4.3Å; M20-L22 PolarHBondContact O-N 3.08Å; L22-Q26 HydrophobicContact CB-CB 4.3Å; L22-T27 HydrophobicContact CB-CG2 3.58Å; L22-T27 HydrophobicContact CD1-CG2 4.5Å; L22-L30 HydrophobicContact CD1-CD1 3.55Å | ||
| 23 | S | 61.6 | Low | 77.3 | Confident | 50 Ų | 50 | 68.3 Ų | 68.3 | 35% | 0.35 | 34% | 0.343 | S | S | . | . | trans | -62.5 | 156 | 179.8 | 84.9 | 0 | 0 | 0 | 0 | 112 | E25 Q26 T27 | S23-E25 PolarHBondContact O-N 2.95Å; S23-E25 VanDerWaalsContact O-N 3.15Å; S23-Q26 WeakPolarHBondContact O-CB 3.21Å; S23-Q26 PolarHBondContact O-N 3.02Å; S23-Q26 VanDerWaalsContact OG-CG 3.32Å; S23-Q26 WeakPolarHBondContact OG-CG 3.32Å; S23-Q26 PolarHBondContact OG-N 3.16Å; S23-T27 WeakPolarHBondContact O-CG2 3.45Å; S23-T27 PolarHBondContact O-N 2.92Å; S23-T27 PolarHBondContact O-OG1 3.11Å | ||
| 24 | T | 69.7 | Low | 77.3 | Confident | 107 Ų | 107 | 72.6 Ų | 72.6 | 66% | 0.656 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -50.5 | -44.9 | 178.7 | -49.6 | 0 | 0 | 0 | 0 | 111.5 | T27 I28 | T24-T27 PolarHBondContact O-N 2.77Å; T24-T27 PolarHBondContact O-OG1 3.13Å; T24-I28 WeakPolarHBondContact O-CG1 3.2Å; T24-I28 PolarHBondContact O-N 3.44Å |
| 25 | E | 72.9 | Confident | 77.5 | Confident | 159 Ų | 159 | 72.2 Ų | 72.2 | 74% | 0.743 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64.2 | -46.4 | 177.3 | -63.1 | 177.5 | 150.2 | 0 | 0 | 112.8 | S23 T27 I28 | S23-E25 PolarHBondContact O-N 2.95Å; S23-E25 VanDerWaalsContact O-N 3.15Å; E25-T27 PolarHBondContact O-N 2.91Å; E25-I28 PolarHBondContact O-N 2.97Å |
| 26 | Q | 73.5 | Confident | 77.9 | Confident | 97 Ų | 97 | 74.3 Ų | 74.3 | 45% | 0.453 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.8 | -35.8 | 175.1 | -71.3 | 169.3 | -11.1 | 0 | 0 | 111.6 | L22 S23 | L22-Q26 HydrophobicContact CB-CB 4.3Å; S23-Q26 WeakPolarHBondContact O-CB 3.21Å; S23-Q26 PolarHBondContact O-N 3.02Å; S23-Q26 VanDerWaalsContact OG-CG 3.32Å; S23-Q26 WeakPolarHBondContact OG-CG 3.32Å; S23-Q26 PolarHBondContact OG-N 3.16Å |
| 27 | T | 79.4 | Confident | 78.1 | Confident | 1 Ų | 1 | 76.3 Ų | 76.3 | 1% | 0.006 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -77.1 | -16 | -179.4 | 65.2 | 0 | 0 | 0 | 0 | 115.1 | L17 L22 S23 T24 E25 S29 L30 R31 | L17-T27 HydrophobicContact CB-CG2 4.16Å; L17-T27 HydrophobicContact CD1-CG2 4.21Å; L17-T27 HydrophobicContact CD2-CG2 4.49Å; L22-T27 HydrophobicContact CB-CG2 3.58Å; L22-T27 HydrophobicContact CD1-CG2 4.5Å; S23-T27 WeakPolarHBondContact O-CG2 3.45Å; S23-T27 PolarHBondContact O-N 2.92Å; S23-T27 PolarHBondContact O-OG1 3.11Å; T24-T27 PolarHBondContact O-N 2.77Å; T24-T27 PolarHBondContact O-OG1 3.13Å; E25-T27 PolarHBondContact O-N 2.91Å; T27-S29 PolarHBondContact O-N 2.64Å; T27-L30 CarbonylContact O-C 3.56Å; T27-L30 WeakPolarHBondContact O-CA 3.5Å; T27-L30 WeakPolarHBondContact O-CB 3.26Å; T27-L30 PolarHBondContact O-N 3.46Å; T27-R31 WeakPolarHBondContact O-CG 3.37Å; T27-R31 PolarHBondContact O-N 2.98Å; T27-R31 PolarHBondContact OG1-NE 3.21Å; T27-R31 PolarHBondContact OG1-NH2 3.19Å |
| 28 | I | 79.9 | Confident | 78.6 | Confident | 92 Ų | 92 | 76.5 Ų | 76.5 | 47% | 0.472 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -53.5 | -55.1 | -176.7 | -62.2 | 175.5 | 0 | 0 | 0 | 110.7 | T24 E25 L30 R31 E32 | T24-I28 WeakPolarHBondContact O-CG1 3.2Å; T24-I28 PolarHBondContact O-N 3.44Å; E25-I28 PolarHBondContact O-N 2.97Å; I28-L30 PolarHBondContact O-N 2.78Å; I28-L30 VanDerWaalsContact O-N 3.1Å; I28-R31 PolarHBondContact O-N 3.25Å; I28-E32 PolarHBondContact O-N 3.12Å |
| 29 | S | 81.8 | Confident | 79.3 | Confident | 74 Ų | 74 | 74.4 Ų | 74.4 | 52% | 0.517 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.8 | -13.6 | -179.9 | 73.9 | 0 | 0 | 0 | 0 | 114.9 | T27 K33 | T27-S29 PolarHBondContact O-N 2.64Å; S29-K33 WeakPolarHBondContact O-CE 3.39Å; S29-K33 WeakPolarHBondContact O-CG 2.97Å; S29-K33 PolarHBondContact O-NZ 3.34Å |
| 30 | L | 85.2 | Confident | 80.2 | Confident | 31 Ų | 31 | 77.5 Ų | 77.5 | 16% | 0.162 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -92.5 | -40.2 | 176.2 | -57.2 | -178.7 | 0 | 0 | 0 | 110.9 | F13 L17 L22 T27 I28 E32 K33 M41 | F13-L30 VanDerWaalsContact CE1-O 3.31Å; F13-L30 WeakPolarHBondContact CE1-O 3.34Å; F13-L30 HydrophobicContact CZ-CB 4.27Å; F13-L30 WeakPolarHBondContact CZ-O 3.42Å; L17-L30 HydrophobicContact CD1-CB 4.2Å; L17-L30 HydrophobicContact CD2-CB 4.02Å; L17-L30 HydrophobicContact CD2-CD1 3.56Å; L17-L30 HydrophobicContact CD2-CG 4.44Å; L22-L30 HydrophobicContact CD1-CD1 3.55Å; T27-L30 CarbonylContact O-C 3.56Å; T27-L30 WeakPolarHBondContact O-CA 3.5Å; T27-L30 WeakPolarHBondContact O-CB 3.26Å; T27-L30 PolarHBondContact O-N 3.46Å; I28-L30 PolarHBondContact O-N 2.78Å; I28-L30 VanDerWaalsContact O-N 3.1Å; L30-E32 VanDerWaalsContact C-N 3.29Å; L30-E32 PolarHBondContact O-N 3.48Å; L30-K33 HydrophobicContact CD2-CD 4.39Å; L30-K33 VanDerWaalsContact CD2-CE 3.46Å; L30-K33 WeakPolarHBondContact O-CB 3.13Å; L30-K33 WeakPolarHBondContact O-CG 3.4Å; L30-K33 PolarHBondContact O-N 2.8Å; L30-M41 HydrophobicContact CD2-CE 4.44Å |
| 31 | R | 86.3 | Confident | 80.8 | Confident | 113 Ų | 113 | 76.1 Ų | 76.1 | 43% | 0.426 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64 | -31.8 | 176.1 | -69 | 174.1 | -165.1 | -115.2 | 1.1 | 112.3 | L14 L17 T27 I28 K33 K38 | L14-R31 HydrophobicContact CD2-CG 4.27Å; L17-R31 HydrophobicContact CD1-CG 4Å; T27-R31 WeakPolarHBondContact O-CG 3.37Å; T27-R31 PolarHBondContact O-N 2.98Å; T27-R31 PolarHBondContact OG1-NE 3.21Å; T27-R31 PolarHBondContact OG1-NH2 3.19Å; I28-R31 PolarHBondContact O-N 3.25Å; R31-K33 VanDerWaalsContact C-N 3.27Å; R31-K33 PolarHBondContact O-N 2.95Å; R31-K38 VanDerWaalsContact O-CE 3.28Å; R31-K38 WeakPolarHBondContact O-CE 3.04Å; R31-K38 PolarHBondContact O-NZ 3.47Å |
| 32 | E | 86.8 | Confident | 81.9 | Confident | 158 Ų | 158 | 76.5 Ų | 76.5 | 74% | 0.738 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -5.2 | 176.8 | -68 | -179.4 | 166.5 | 0 | 0 | 114.7 | I28 L30 | I28-E32 PolarHBondContact O-N 3.12Å; L30-E32 VanDerWaalsContact C-N 3.29Å; L30-E32 PolarHBondContact O-N 3.48Å |
| 33 | K | 89.2 | Confident | 82.3 | Confident | 73 Ų | 73 | 78.5 Ų | 78.5 | 32% | 0.317 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -69.9 | 147.8 | -176.2 | -67.1 | -173.3 | -174.5 | -56.9 | 0 | 112.6 | S29 L30 R31 T37 K38 M41 | S29-K33 WeakPolarHBondContact O-CE 3.39Å; S29-K33 WeakPolarHBondContact O-CG 2.97Å; S29-K33 PolarHBondContact O-NZ 3.34Å; L30-K33 HydrophobicContact CD2-CD 4.39Å; L30-K33 VanDerWaalsContact CD2-CE 3.46Å; L30-K33 WeakPolarHBondContact O-CB 3.13Å; L30-K33 WeakPolarHBondContact O-CG 3.4Å; L30-K33 PolarHBondContact O-N 2.8Å; R31-K33 VanDerWaalsContact C-N 3.27Å; R31-K33 PolarHBondContact O-N 2.95Å; K33-T37 HydrophobicContact CB-CG2 4.49Å; K33-T37 HydrophobicContact CD-CG2 4.01Å; K33-K38 HydrophobicContact CB-CG 4.45Å; K33-K38 WeakPolarHBondContact O-CE 3.24Å; K33-M41 HydrophobicContact CD-SD 4.13Å |
| 34 | P | 88.4 | Confident | 83.2 | Confident | 90 Ų | 90 | 80.4 Ų | 80.4 | 58% | 0.584 | 41% | 0.408 | S | S | * | . | trans | -57.8 | 145.7 | 173.2 | -24.2 | 34.3 | 0 | 0 | 0 | 112.5 | K36 T37 K38 | P34-K36 PolarHBondContact O-N 3.33Å; P34-K36 VanDerWaalsContact O-N 3.09Å; P34-T37 WeakPolarHBondContact O-CA 3.3Å; P34-T37 WeakPolarHBondContact O-CB 3.41Å; P34-T37 PolarHBondContact O-N 3.48Å; P34-K38 PolarHBondContact O-N 3.32Å; P34-K38 VanDerWaalsContact O-N 3.09Å | ||
| 35 | I | 87 | Confident | 83.5 | Confident | 54 Ų | 54 | 77.1 Ų | 77.1 | 28% | 0.277 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -52.1 | -36.8 | -178.5 | -63.9 | 178.8 | 0 | 0 | 0 | 112.4 | D6 V9 T37 K38 L39 | D6-I35 HydrophobicContact CB-CD1 3.6Å; D6-I35 WeakPolarHBondContact OD2-CD1 3.21Å; V9-I35 HydrophobicContact CB-CG2 4.25Å; V9-I35 HydrophobicContact CG1-CG2 3.94Å; V9-I35 HydrophobicContact CG2-CG2 4.48Å; I35-T37 PolarHBondContact O-N 3.12Å; I35-K38 WeakPolarHBondContact O-CB 3.38Å; I35-K38 PolarHBondContact O-N 3.42Å; I35-L39 PolarHBondContact O-N 3.44Å |
| 36 | K | 86.3 | Confident | 83.3 | Confident | 148 Ų | 148 | 71.6 Ų | 71.6 | 64% | 0.643 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -58.5 | -44.9 | 174.3 | -170.7 | -172.4 | 176.7 | -157.7 | 0 | 112.5 | P34 L39 E40 | P34-K36 PolarHBondContact O-N 3.33Å; P34-K36 VanDerWaalsContact O-N 3.09Å; K36-L39 WeakPolarHBondContact O-CB 3.42Å; K36-L39 PolarHBondContact O-N 3.12Å; K36-E40 WeakPolarHBondContact CE-OE1 3.42Å; K36-E40 IonicContact NZ-OE1 3.65Å; K36-E40 WeakPolarHBondContact O-CG 3.48Å; K36-E40 PolarHBondContact O-N 3.08Å |
| 37 | T | 87.1 | Confident | 83.2 | Confident | 49 Ų | 49 | 73.7 Ų | 73.7 | 30% | 0.301 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -69.5 | -35.2 | 177.1 | -52.9 | 0 | 0 | 0 | 0 | 111.2 | K33 P34 I35 E40 M41 | K33-T37 HydrophobicContact CB-CG2 4.49Å; K33-T37 HydrophobicContact CD-CG2 4.01Å; P34-T37 WeakPolarHBondContact O-CA 3.3Å; P34-T37 WeakPolarHBondContact O-CB 3.41Å; P34-T37 PolarHBondContact O-N 3.48Å; I35-T37 PolarHBondContact O-N 3.12Å; T37-E40 PolarHBondContact O-N 2.77Å; T37-M41 HydrophobicContact CG2-SD 4.44Å; T37-M41 VanDerWaalsContact O-CG 3.32Å; T37-M41 WeakPolarHBondContact O-CG 3.03Å; T37-M41 PolarHBondContact O-N 3.25Å |
| 38 | K | 90.2 | Very high | 82.5 | Confident | 7 Ų | 7 | 79 Ų | 79 | 3% | 0.03 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 172.5 | -63.7 | -174.8 | 172 | 173.2 | 0 | 111.9 | V9 E10 F13 R31 K33 P34 I35 M41 L42 | V9-K38 HydrophobicContact CG1-CB 4.24Å; E10-K38 IonicContact OE1-NZ 3.42Å; E10-K38 PolarHBondContact OE1-NZ 2.62Å; E10-K38 WeakPolarHBondContact OE2-CD 3.43Å; E10-K38 IonicContact OE2-NZ 2.74Å; E10-K38 PolarHBondContact OE2-NZ 3.29Å; F13-K38 HydrophobicContact CB-CB 4.23Å; F13-K38 HydrophobicContact CB-CD 4.23Å; F13-K38 HydrophobicContact CD1-CB 4.37Å; F13-K38 HydrophobicContact CD1-CD 3.5Å; F13-K38 VanDerWaalsContact CD1-CD 3.5Å; F13-K38 HydrophobicContact CD1-CG 3.81Å; F13-K38 HydrophobicContact CD2-CB 3.53Å; F13-K38 HydrophobicContact CD2-CD 4.24Å; F13-K38 HydrophobicContact CD2-CG 3.73Å; F13-K38 HydrophobicContact CE1-CD 3.8Å; F13-K38 HydrophobicContact CE1-CG 3.81Å; F13-K38 HydrophobicContact CE2-CB 3.89Å; F13-K38 HydrophobicContact CE2-CG 3.74Å; F13-K38 HydrophobicContact CG-CB 3.79Å; F13-K38 HydrophobicContact CG-CD 3.73Å; F13-K38 HydrophobicContact CG-CG 3.76Å; F13-K38 HydrophobicContact CZ-CB 4.45Å; F13-K38 HydrophobicContact CZ-CD 4.31Å; F13-K38 HydrophobicContact CZ-CG 3.79Å; R31-K38 VanDerWaalsContact O-CE 3.28Å; R31-K38 WeakPolarHBondContact O-CE 3.04Å; R31-K38 PolarHBondContact O-NZ 3.47Å; K33-K38 HydrophobicContact CB-CG 4.45Å; K33-K38 WeakPolarHBondContact O-CE 3.24Å; P34-K38 PolarHBondContact O-N 3.32Å; P34-K38 VanDerWaalsContact O-N 3.09Å; I35-K38 WeakPolarHBondContact O-CB 3.38Å; I35-K38 PolarHBondContact O-N 3.42Å; K38-M41 PolarHBondContact O-N 3.19Å; K38-L42 WeakPolarHBondContact O-CB 3.46Å; K38-L42 WeakPolarHBondContact O-CG 3.41Å; K38-L42 PolarHBondContact O-N 2.76Å |
| 39 | L | 86.7 | Confident | 81.6 | Confident | 72 Ų | 72 | 78.7 Ų | 78.7 | 38% | 0.377 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 172.8 | -80.5 | 168.9 | 0 | 0 | 0 | 112.8 | V9 I35 K36 M41 L42 E43 | V9-L39 HydrophobicContact CG1-CD2 3.98Å; V9-L39 HydrophobicContact CG1-CG 3.82Å; V9-L39 HydrophobicContact CG2-CD1 4.37Å; V9-L39 HydrophobicContact CG2-CD2 3.67Å; V9-L39 HydrophobicContact CG2-CG 4.04Å; I35-L39 PolarHBondContact O-N 3.44Å; K36-L39 WeakPolarHBondContact O-CB 3.42Å; K36-L39 PolarHBondContact O-N 3.12Å; L39-M41 VanDerWaalsContact C-N 3.31Å; L39-M41 PolarHBondContact O-N 2.78Å; L39-L42 PolarHBondContact O-N 2.61Å; L39-E43 PolarHBondContact O-N 3.28Å |
| 40 | E | 85.5 | Confident | 80.3 | Confident | 93 Ų | 93 | 78.4 Ų | 78.4 | 44% | 0.435 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.8 | -38.5 | 177.4 | -71.5 | 164.8 | -178.6 | 0 | 0 | 111.7 | K36 T37 T44 | K36-E40 WeakPolarHBondContact CE-OE1 3.42Å; K36-E40 IonicContact NZ-OE1 3.65Å; K36-E40 WeakPolarHBondContact O-CG 3.48Å; K36-E40 PolarHBondContact O-N 3.08Å; T37-E40 PolarHBondContact O-N 2.77Å; E40-T44 WeakPolarHBondContact O-CB 3.45Å; E40-T44 PolarHBondContact O-N 3.48Å; E40-T44 VanDerWaalsContact O-N 3.12Å; E40-T44 PolarHBondContact O-OG1 2.87Å |
| 41 | M | 86.1 | Confident | 79.3 | Confident | 52 Ų | 52 | 79 Ų | 79 | 26% | 0.256 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.8 | -47.1 | 172.8 | -71.4 | 177 | 67.1 | 0 | 0 | 111.8 | F13 M16 L30 K33 T37 K38 L39 E43 T44 Y45 | F13-M41 HydrophobicContact CE2-CB 4.15Å; F13-M41 HydrophobicContact CE2-CE 3.94Å; F13-M41 HydrophobicContact CE2-SD 3.82Å; F13-M41 HydrophobicContact CZ-CE 4.21Å; F13-M41 HydrophobicContact CZ-SD 4.16Å; M16-M41 HydrophobicContact CE-CB 4.19Å; M16-M41 HydrophobicContact CE-CE 4.09Å; L30-M41 HydrophobicContact CD2-CE 4.44Å; K33-M41 HydrophobicContact CD-SD 4.13Å; T37-M41 HydrophobicContact CG2-SD 4.44Å; T37-M41 VanDerWaalsContact O-CG 3.32Å; T37-M41 WeakPolarHBondContact O-CG 3.03Å; T37-M41 PolarHBondContact O-N 3.25Å; K38-M41 PolarHBondContact O-N 3.19Å; L39-M41 VanDerWaalsContact C-N 3.31Å; L39-M41 PolarHBondContact O-N 2.78Å; M41-E43 PolarHBondContact O-N 2.59Å; M41-T44 PolarHBondContact O-N 3.15Å; M41-Y45 WeakPolarHBondContact O-CB 3.28Å; M41-Y45 PolarHBondContact O-N 3.39Å |
| 42 | L | 84.7 | Confident | 78.1 | Confident | 34 Ų | 34 | 78 Ų | 78 | 18% | 0.178 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60.4 | -40.5 | 176.9 | -79.1 | 167.6 | 0 | 0 | 0 | 112.9 | V9 K12 F13 M16 K38 L39 Y45 G46 | V9-L42 HydrophobicContact CG1-CD1 4.17Å; K12-L42 HydrophobicContact CB-CD1 3.99Å; K12-L42 HydrophobicContact CB-CD2 4.14Å; F13-L42 HydrophobicContact CB-CD1 4.18Å; F13-L42 HydrophobicContact CD2-CG 4.42Å; M16-L42 HydrophobicContact CB-CD2 3.8Å; M16-L42 HydrophobicContact CG-CD2 4.24Å; M16-L42 HydrophobicContact SD-CD2 3.78Å; M16-L42 HydrophobicContact SD-CG 4.19Å; K38-L42 WeakPolarHBondContact O-CB 3.46Å; K38-L42 WeakPolarHBondContact O-CG 3.41Å; K38-L42 PolarHBondContact O-N 2.76Å; L39-L42 PolarHBondContact O-N 2.61Å; L42-Y45 PolarHBondContact O-N 3.39Å; L42-G46 PolarHBondContact O-N 3.39Å |
| 43 | E | 81.1 | Confident | 77.2 | Confident | 95 Ų | 95 | 77.2 Ų | 77.2 | 44% | 0.444 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.6 | -40.9 | 176.6 | -164.6 | -169.6 | 145.9 | 0 | 0 | 111.4 | L39 M41 Y45 K47 | L39-E43 PolarHBondContact O-N 3.28Å; M41-E43 PolarHBondContact O-N 2.59Å; E43-Y45 VanDerWaalsContact C-N 3.34Å; E43-K47 HydrophobicContact CG-CD 4.4Å; E43-K47 WeakPolarHBondContact O-CB 3.41Å; E43-K47 VanDerWaalsContact O-CG 3.31Å; E43-K47 WeakPolarHBondContact O-CG 3.49Å; E43-K47 PolarHBondContact O-N 3.12Å; E43-K47 VanDerWaalsContact OE1-CE 3.31Å; E43-K47 WeakPolarHBondContact OE1-CE 3.47Å; E43-K47 IonicContact OE1-NZ 2.69Å; E43-K47 PolarHBondContact OE1-NZ 2.93Å |
| 44 | T | 79.8 | Confident | 76.4 | Confident | 89 Ų | 89 | 75.9 Ų | 75.9 | 55% | 0.546 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 175.8 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | E40 M41 K48 | E40-T44 WeakPolarHBondContact O-CB 3.45Å; E40-T44 PolarHBondContact O-N 3.48Å; E40-T44 VanDerWaalsContact O-N 3.12Å; E40-T44 PolarHBondContact O-OG1 2.87Å; M41-T44 PolarHBondContact O-N 3.15Å; T44-K48 PolarHBondContact O-N 2.58Å |
| 45 | Y | 75 | Confident | 76 | Confident | 38 Ų | 38 | 72.7 Ų | 72.7 | 15% | 0.149 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -66.1 | -49.5 | 176.7 | -171.5 | -99.2 | 0 | 0 | 0 | 111.9 | M16 D19 M20 M41 L42 E43 K47 K48 L49 | M16-Y45 HydrophobicContact CG-CD1 3.68Å; M16-Y45 HydrophobicContact CG-CD2 3.81Å; M16-Y45 HydrophobicContact CG-CE1 3.94Å; M16-Y45 HydrophobicContact CG-CE2 4.08Å; M16-Y45 HydrophobicContact CG-CG 3.61Å; M16-Y45 HydrophobicContact SD-CD1 4.27Å; M16-Y45 HydrophobicContact SD-CD2 4.17Å; M16-Y45 HydrophobicContact SD-CG 3.78Å; D19-Y45 PolarHBondContact OD2-OH 3.27Å; M20-Y45 HydrophobicContact CG-CD2 4.21Å; M20-Y45 HydrophobicContact CG-CE2 3.58Å; M20-Y45 HydrophobicContact SD-CD2 4.11Å; M20-Y45 HydrophobicContact SD-CE2 4.1Å; M41-Y45 WeakPolarHBondContact O-CB 3.28Å; M41-Y45 PolarHBondContact O-N 3.39Å; L42-Y45 PolarHBondContact O-N 3.39Å; E43-Y45 VanDerWaalsContact C-N 3.34Å; Y45-K47 VanDerWaalsContact C-N 3.29Å; Y45-K47 PolarHBondContact O-N 3.05Å; Y45-K48 WeakPolarHBondContact O-CB 3.22Å; Y45-K48 PolarHBondContact O-N 3.34Å; Y45-L49 HydrophobicContact CD1-CD1 3.68Å; Y45-L49 HydrophobicContact CD2-CD1 4.5Å; Y45-L49 HydrophobicContact CE1-CD1 3.35Å; Y45-L49 HydrophobicContact CE2-CD1 4.22Å; Y45-L49 HydrophobicContact CG-CD1 4.24Å; Y45-L49 WeakPolarHBondContact O-CD1 3.19Å; Y45-L49 PolarHBondContact O-N 3.23Å; Y45-L49 VanDerWaalsContact O-N 3.13Å |
| 46 | G | 70.3 | Confident | 75.8 | Confident | 43 Ų | 43 | 70.8 Ų | 70.8 | 44% | 0.443 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.9 | -37.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L42 K48 L49 G50 | L42-G46 PolarHBondContact O-N 3.39Å; G46-K48 VanDerWaalsContact C-N 3.33Å; G46-K48 PolarHBondContact O-N 2.82Å; G46-L49 PolarHBondContact O-N 3.01Å; G46-G50 PolarHBondContact O-N 2.91Å |
| 47 | K | 71 | Confident | 75.5 | Confident | 142 Ų | 142 | 67 Ų | 67 | 62% | 0.617 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -63.8 | -33.4 | 172.6 | -79.7 | 167.8 | 169.6 | 167.7 | 0 | 113.2 | E43 Y45 | E43-K47 HydrophobicContact CG-CD 4.4Å; E43-K47 WeakPolarHBondContact O-CB 3.41Å; E43-K47 VanDerWaalsContact O-CG 3.31Å; E43-K47 WeakPolarHBondContact O-CG 3.49Å; E43-K47 PolarHBondContact O-N 3.12Å; E43-K47 VanDerWaalsContact OE1-CE 3.31Å; E43-K47 WeakPolarHBondContact OE1-CE 3.47Å; E43-K47 IonicContact OE1-NZ 2.69Å; E43-K47 PolarHBondContact OE1-NZ 2.93Å; Y45-K47 VanDerWaalsContact C-N 3.29Å; Y45-K47 PolarHBondContact O-N 3.05Å |
| 48 | K | 65.2 | Low | 75 | Confident | 111 Ų | 111 | 69.7 Ų | 69.7 | 48% | 0.483 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67.9 | -45.6 | 173.6 | -94.2 | -175.1 | 169.4 | -171.2 | 0 | 112.1 | T44 Y45 G46 N54 | T44-K48 PolarHBondContact O-N 2.58Å; Y45-K48 WeakPolarHBondContact O-CB 3.22Å; Y45-K48 PolarHBondContact O-N 3.34Å; G46-K48 VanDerWaalsContact C-N 3.33Å; G46-K48 PolarHBondContact O-N 2.82Å; K48-N54 PolarHBondContact O-ND2 2.79Å |
| 49 | L | 60.5 | Low | 74.6 | Confident | 86 Ų | 86 | 69.6 Ų | 69.6 | 45% | 0.45 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66 | -35.7 | 178.1 | -87.1 | 89.9 | 0 | 0 | 0 | 112.8 | Y45 G46 S51 | Y45-L49 HydrophobicContact CD1-CD1 3.68Å; Y45-L49 HydrophobicContact CD2-CD1 4.5Å; Y45-L49 HydrophobicContact CE1-CD1 3.35Å; Y45-L49 HydrophobicContact CE2-CD1 4.22Å; Y45-L49 HydrophobicContact CG-CD1 4.24Å; Y45-L49 WeakPolarHBondContact O-CD1 3.19Å; Y45-L49 PolarHBondContact O-N 3.23Å; Y45-L49 VanDerWaalsContact O-N 3.13Å; G46-L49 PolarHBondContact O-N 3.01Å; L49-S51 PolarHBondContact O-N 3.45Å; L49-S51 VanDerWaalsContact O-N 3.09Å |
| 50 | G | 55.1 | Low | 74.4 | Confident | 68 Ų | 68 | 66.4 Ų | 66.4 | 70% | 0.701 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -1.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | G46 S52 | G46-G50 PolarHBondContact O-N 2.91Å; G50-S52 PolarHBondContact O-N 3.44Å |
| 51 | S | 62.5 | Low | 74.4 | Confident | 44 Ų | 44 | 68.4 Ų | 68.4 | 31% | 0.308 | 37% | 0.368 | S | S | . | . | trans | -82.4 | 112.3 | 178.8 | 177.6 | 0 | 0 | 0 | 0 | 111.4 | L49 K53 N54 A55 | L49-S51 PolarHBondContact O-N 3.45Å; L49-S51 VanDerWaalsContact O-N 3.09Å; S51-K53 PolarHBondContact O-N 3.35Å; S51-N54 WeakPolarHBondContact O-CA 3.44Å; S51-N54 PolarHBondContact O-N 3.47Å; S51-A55 PolarHBondContact O-N 2.82Å | ||
| 52 | S | 62.5 | Low | 74.6 | Confident | 92 Ų | 92 | 66.3 Ų | 66.3 | 64% | 0.643 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -20.8 | 175.1 | 167.8 | 0 | 0 | 0 | 0 | 114.2 | G50 N54 Y58 | G50-S52 PolarHBondContact O-N 3.44Å; S52-N54 VanDerWaalsContact C-N 3.35Å; S52-Y58 WeakPolarHBondContact O-CB 3.42Å |
| 53 | K | 67.5 | Low | 75 | Confident | 141 Ų | 141 | 64.9 Ų | 64.9 | 61% | 0.613 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -13.9 | 174.3 | -68.2 | -174.4 | 179.4 | -179.5 | 0 | 114.3 | S51 Y58 C59 | S51-K53 PolarHBondContact O-N 3.35Å; K53-Y58 HydrophobicContact CB-CD1 4.46Å; K53-Y58 HydrophobicContact CB-CE1 4.24Å; K53-Y58 HydrophobicContact CG-CE1 4.25Å; K53-Y58 WeakPolarHBondContact O-CD1 3.25Å; K53-C59 PolarHBondContact O-SG 3.24Å |
| 54 | N | 73 | Confident | 75.3 | Confident | 45 Ų | 45 | 65.6 Ų | 65.6 | 24% | 0.241 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -105.2 | 1.7 | 176.2 | -56.7 | -3.1 | 0 | 0 | 0 | 111.3 | K48 S51 S52 W92 | K48-N54 PolarHBondContact O-ND2 2.79Å; S51-N54 WeakPolarHBondContact O-CA 3.44Å; S51-N54 PolarHBondContact O-N 3.47Å; S52-N54 VanDerWaalsContact C-N 3.35Å; N54-W92 PolarHBondContact O-NE1 3.27Å |
| 55 | A | 79 | Confident | 75.8 | Confident | 24 Ų | 24 | 63.7 Ų | 63.7 | 20% | 0.198 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -63.9 | 136.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | S51 D57 Y58 C59 | S51-A55 PolarHBondContact O-N 2.82Å; A55-D57 VanDerWaalsContact C-N 3.3Å; A55-D57 VanDerWaalsContact CB-OD1 3.23Å; A55-D57 WeakPolarHBondContact CB-OD1 3.35Å; A55-D57 PolarHBondContact O-N 3.23Å; A55-Y58 PolarHBondContact O-N 3.37Å; A55-Y58 VanDerWaalsContact O-N 3.14Å; A55-C59 PolarHBondContact O-N 3.06Å |
| 56 | P | 82.3 | Confident | 76.6 | Confident | 13 Ų | 13 | 62.1 Ų | 62.1 | 8% | 0.084 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -55.4 | -40.9 | -175.1 | -29.4 | 36.4 | 0 | 0 | 0 | 114.5 | C59 A60 W92 E95 F96 | P56-C59 PolarHBondContact O-N 2.9Å; P56-A60 WeakPolarHBondContact O-CB 3.29Å; P56-A60 PolarHBondContact O-N 3.22Å; P56-W92 HydrophobicContact CB-CH2 4.39Å; P56-W92 HydrophobicContact CB-CZ2 4.15Å; P56-W92 HydrophobicContact CG-CD2 3.97Å; P56-W92 HydrophobicContact CG-CG 4.19Å; P56-W92 HydrophobicContact CG-CZ2 3.98Å; P56-E95 HydrophobicContact CB-CG 4.27Å; P56-E95 HydrophobicContact CG-CB 4.04Å; P56-E95 HydrophobicContact CG-CG 3.74Å; P56-F96 HydrophobicContact CB-CB 3.89Å; P56-F96 HydrophobicContact CB-CD2 4.26Å |
| 57 | D | 79.8 | Confident | 77.6 | Confident | 68 Ų | 68 | 66 Ų | 66 | 36% | 0.364 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 177.3 | 75.9 | -57.3 | 0 | 0 | 0 | 112.3 | A55 A60 R61 N101 | A55-D57 VanDerWaalsContact C-N 3.3Å; A55-D57 VanDerWaalsContact CB-OD1 3.23Å; A55-D57 WeakPolarHBondContact CB-OD1 3.35Å; A55-D57 PolarHBondContact O-N 3.23Å; D57-A60 PolarHBondContact O-N 2.86Å; D57-R61 PolarHBondContact O-N 3.49Å; D57-R61 VanDerWaalsContact O-N 3.14Å; D57-R61 IonicContact OD2-NH2 2.68Å; D57-N101 WeakPolarHBondContact CB-OD1 3.07Å |
| 58 | Y | 78 | Confident | 78.6 | Confident | 107 Ų | 107 | 64.8 Ų | 64.8 | 42% | 0.42 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.8 | -42.6 | 179.5 | -177.5 | -85.5 | 0 | 0 | 0 | 110.8 | S52 K53 A55 A60 R61 | S52-Y58 WeakPolarHBondContact O-CB 3.42Å; K53-Y58 HydrophobicContact CB-CD1 4.46Å; K53-Y58 HydrophobicContact CB-CE1 4.24Å; K53-Y58 HydrophobicContact CG-CE1 4.25Å; K53-Y58 WeakPolarHBondContact O-CD1 3.25Å; A55-Y58 PolarHBondContact O-N 3.37Å; A55-Y58 VanDerWaalsContact O-N 3.14Å; Y58-A60 VanDerWaalsContact C-N 3.28Å; Y58-A60 PolarHBondContact O-N 3.1Å; Y58-R61 PolarHBondContact O-N 2.83Å |
| 59 | C | 81.5 | Confident | 79.9 | Confident | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.034 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.7 | -31.8 | 176.3 | -73.5 | 0 | 0 | 0 | 0 | 112.6 | K53 A55 P56 F62 L81 W92 | K53-C59 PolarHBondContact O-SG 3.24Å; A55-C59 PolarHBondContact O-N 3.06Å; P56-C59 PolarHBondContact O-N 2.9Å; C59-F62 VanDerWaalsContact O-CD1 3.32Å; C59-F62 WeakPolarHBondContact O-CD1 3.5Å; C59-F62 WeakPolarHBondContact O-CE1 3.42Å; C59-L81 HydrophobicContact CB-CD1 4.04Å; C59-W92 HydrophobicContact CB-CH2 4.32Å; C59-W92 HydrophobicContact CB-CZ2 4.28Å |
| 60 | A | 82 | Confident | 81.3 | Confident | 4 Ų | 4 | 61.3 Ų | 61.3 | 3% | 0.033 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -82.4 | -25.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | P56 D57 Y58 F62 L63 F96 | P56-A60 WeakPolarHBondContact O-CB 3.29Å; P56-A60 PolarHBondContact O-N 3.22Å; D57-A60 PolarHBondContact O-N 2.86Å; Y58-A60 VanDerWaalsContact C-N 3.28Å; Y58-A60 PolarHBondContact O-N 3.1Å; A60-F62 PolarHBondContact O-N 3.12Å; A60-L63 VanDerWaalsContact O-CB 3.3Å; A60-L63 WeakPolarHBondContact O-CB 3.42Å; A60-L63 WeakPolarHBondContact O-CG 3.23Å; A60-L63 PolarHBondContact O-N 3.24Å; A60-F96 HydrophobicContact CB-CD2 4.49Å; A60-F96 HydrophobicContact CB-CE2 3.86Å |
| 61 | R | 85.3 | Confident | 83 | Confident | 136 Ų | 136 | 61.7 Ų | 61.7 | 51% | 0.513 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -52.2 | -31.9 | -165.1 | -173.7 | 174.7 | -64.8 | 178.4 | 2.8 | 115.9 | D57 Y58 L63 L64 | D57-R61 PolarHBondContact O-N 3.49Å; D57-R61 VanDerWaalsContact O-N 3.14Å; D57-R61 IonicContact OD2-NH2 2.68Å; Y58-R61 PolarHBondContact O-N 2.83Å; R61-L63 VanDerWaalsContact C-N 3.26Å; R61-L63 PolarHBondContact O-N 3.49Å; R61-L64 PolarHBondContact O-N 2.93Å |
| 62 | F | 91.1 | Very high | 84.4 | Confident | 8 Ų | 8 | 67 Ų | 67 | 4% | 0.035 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -68.6 | -23.9 | -179.9 | 76 | -87.4 | 0 | 0 | 0 | 113.3 | C59 A60 L64 V65 P66 Y69 L74 L78 L81 | C59-F62 VanDerWaalsContact O-CD1 3.32Å; C59-F62 WeakPolarHBondContact O-CD1 3.5Å; C59-F62 WeakPolarHBondContact O-CE1 3.42Å; A60-F62 PolarHBondContact O-N 3.12Å; F62-L64 VanDerWaalsContact C-N 3.28Å; F62-L64 PolarHBondContact O-N 3.31Å; F62-V65 CarbonylContact O-C 3.6Å; F62-V65 PolarHBondContact O-N 3.25Å; F62-P66 WeakPolarHBondContact O-CA 3.34Å; F62-P66 VanDerWaalsContact O-N 3.16Å; F62-Y69 HydrophobicContact CB-CD1 4.47Å; F62-Y69 HydrophobicContact CB-CD2 4.1Å; F62-Y69 HydrophobicContact CB-CE1 4.03Å; F62-Y69 HydrophobicContact CB-CE2 3.63Å; F62-L74 HydrophobicContact CD2-CD2 3.79Å; F62-L74 HydrophobicContact CE2-CD2 4.41Å; F62-L78 HydrophobicContact CE2-CD2 3.89Å; F62-L78 HydrophobicContact CE2-CG 3.79Å; F62-L78 HydrophobicContact CZ-CB 4.48Å; F62-L78 HydrophobicContact CZ-CD2 3.73Å; F62-L78 HydrophobicContact CZ-CG 3.81Å; F62-L81 HydrophobicContact CE1-CB 4.47Å; F62-L81 HydrophobicContact CE1-CD2 4.26Å; F62-L81 HydrophobicContact CZ-CD2 4.32Å |
| 63 | L | 92 | Very high | 85.8 | Confident | 4 Ų | 4 | 67.2 Ų | 67.2 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -67.9 | -27.5 | 177.6 | -60.4 | 170 | 0 | 0 | 0 | 112.3 | A60 R61 P66 L78 L81 N106 L107 F110 | A60-L63 VanDerWaalsContact O-CB 3.3Å; A60-L63 WeakPolarHBondContact O-CB 3.42Å; A60-L63 WeakPolarHBondContact O-CG 3.23Å; A60-L63 PolarHBondContact O-N 3.24Å; R61-L63 VanDerWaalsContact C-N 3.26Å; R61-L63 PolarHBondContact O-N 3.49Å; L63-P66 WeakPolarHBondContact O-CD 3.33Å; L63-L78 HydrophobicContact CD2-CD2 4.18Å; L63-L81 HydrophobicContact CD1-CD2 4.06Å; L63-N106 HydrophobicContact CB-CB 4.23Å; L63-N106 HydrophobicContact CD1-CB 4.1Å; L63-L107 HydrophobicContact CD1-CD2 3.8Å; L63-L107 HydrophobicContact CD1-CG 4.03Å; L63-L107 HydrophobicContact CD2-CD2 4.22Å; L63-F110 HydrophobicContact CD2-CB 3.82Å; L63-F110 HydrophobicContact CD2-CD1 3.9Å; L63-F110 HydrophobicContact CD2-CD2 4.37Å; L63-F110 HydrophobicContact CD2-CG 3.75Å |
| 64 | L | 88.9 | Confident | 87.1 | Confident | 109 Ų | 109 | 60.5 Ų | 60.5 | 57% | 0.571 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -21.9 | 179.8 | -63.3 | 174.7 | 0 | 0 | 0 | 113.4 | R61 F62 N106 | R61-L64 PolarHBondContact O-N 2.93Å; F62-L64 VanDerWaalsContact C-N 3.28Å; F62-L64 PolarHBondContact O-N 3.31Å; L64-N106 WeakPolarHBondContact CD2-OD1 3.49Å |
| 65 | V | 90.2 | Very high | 88.1 | Confident | 49 Ų | 49 | 60.5 Ų | 60.5 | 30% | 0.297 | 30% | 0.3 | S | S | . | . | trans | -139.6 | 51.9 | -177.9 | -72.4 | 0 | 0 | 0 | 0 | 111.9 | F62 Q67 N68 Y69 | F62-V65 CarbonylContact O-C 3.6Å; F62-V65 PolarHBondContact O-N 3.25Å; V65-Q67 PolarHBondContact O-N 3.48Å; V65-Q67 VanDerWaalsContact O-N 3.16Å; V65-N68 WeakPolarHBondContact O-CB 3.41Å; V65-N68 PolarHBondContact O-N 3.36Å; V65-Y69 HydrophobicContact CG2-CE2 4.24Å; V65-Y69 WeakPolarHBondContact O-CD2 3.42Å | ||
| 66 | P | 91.3 | Very high | 88.8 | Confident | 5 Ų | 5 | 64.3 Ų | 64.3 | 3% | 0.032 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -62.3 | -26.7 | -172.4 | 27.2 | -36.4 | 0 | 0 | 0 | 113.3 | F62 L63 N68 Y69 L74 F110 L113 Y119 | F62-P66 WeakPolarHBondContact O-CA 3.34Å; F62-P66 VanDerWaalsContact O-N 3.16Å; L63-P66 WeakPolarHBondContact O-CD 3.33Å; P66-N68 PolarHBondContact O-N 2.96Å; P66-N68 VanDerWaalsContact O-N 3.1Å; P66-Y69 PolarHBondContact O-N 3.03Å; P66-L74 HydrophobicContact CB-CD1 4.47Å; P66-L74 HydrophobicContact CB-CD2 3.96Å; P66-F110 HydrophobicContact CB-CD2 3.97Å; P66-F110 HydrophobicContact CB-CE2 3.58Å; P66-F110 HydrophobicContact CG-CD2 4.13Å; P66-F110 HydrophobicContact CG-CE2 4.17Å; P66-L113 HydrophobicContact CG-CD1 4.31Å; P66-Y119 HydrophobicContact CB-CE2 3.94Å; P66-Y119 HydrophobicContact CG-CE2 3.87Å |
| 67 | Q | 90.7 | Very high | 89.3 | Confident | 124 Ų | 124 | 65.2 Ų | 65.2 | 58% | 0.579 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -59.9 | -18.9 | 175.5 | 70.6 | -80 | 12.5 | 0 | 0 | 114 | V65 Y69 Y119 | V65-Q67 PolarHBondContact O-N 3.48Å; V65-Q67 VanDerWaalsContact O-N 3.16Å; Q67-Y69 VanDerWaalsContact C-N 3.29Å; Q67-Y119 PolarHBondContact N-OH 3.46Å |
| 68 | N | 92.4 | Very high | 90.1 | Very high | 117 Ų | 117 | 62 Ų | 62 | 63% | 0.626 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -85 | -0.1 | 177.2 | -66 | -17.7 | 0 | 0 | 0 | 113.3 | V65 P66 | V65-N68 WeakPolarHBondContact O-CB 3.41Å; V65-N68 PolarHBondContact O-N 3.36Å; P66-N68 PolarHBondContact O-N 2.96Å; P66-N68 VanDerWaalsContact O-N 3.1Å |
| 69 | Y | 91.8 | Very high | 90.8 | Very high | 74 Ų | 74 | 59.9 Ų | 59.9 | 29% | 0.29 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -124.6 | 139.5 | -174.5 | -63.1 | -97.9 | 0 | 0 | 0 | 110.9 | F62 V65 P66 Q67 Q73 L74 | F62-Y69 HydrophobicContact CB-CD1 4.47Å; F62-Y69 HydrophobicContact CB-CD2 4.1Å; F62-Y69 HydrophobicContact CB-CE1 4.03Å; F62-Y69 HydrophobicContact CB-CE2 3.63Å; V65-Y69 HydrophobicContact CG2-CE2 4.24Å; V65-Y69 WeakPolarHBondContact O-CD2 3.42Å; P66-Y69 PolarHBondContact O-N 3.03Å; Q67-Y69 VanDerWaalsContact C-N 3.29Å; Y69-Q73 HydrophobicContact CD1-CB 4.11Å; Y69-L74 HydrophobicContact CD2-CD2 4.44Å; Y69-L74 HydrophobicContact CG-CD2 4.19Å |
| 70 | S | 91.5 | Very high | 91.3 | Very high | 51 Ų | 51 | 63.1 Ų | 63.1 | 36% | 0.357 | 32% | 0.318 | S | S | . | . | trans | -67.9 | 155.5 | 168.7 | 64.3 | 0 | 0 | 0 | 0 | 111.2 | K72 Q73 L74 | S70-K72 PolarHBondContact O-N 3.33Å; S70-K72 VanDerWaalsContact O-N 3.08Å; S70-Q73 WeakPolarHBondContact O-CA 3.36Å; S70-Q73 WeakPolarHBondContact O-CB 3.44Å; S70-Q73 PolarHBondContact O-N 2.85Å; S70-Q73 WeakPolarHBondContact OG-CG 3.41Å; S70-Q73 PolarHBondContact OG-N 3.42Å; S70-Q73 PolarHBondContact OG-OE1 2.86Å; S70-L74 PolarHBondContact O-N 2.92Å | ||
| 71 | P | 89.2 | Confident | 91.9 | Very high | 76 Ų | 76 | 63 Ų | 63 | 49% | 0.494 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -52.1 | -36 | 177.4 | -29.5 | 35.9 | 0 | 0 | 0 | 113.9 | L74 L75 | P71-L74 PolarHBondContact O-N 2.75Å; P71-L75 VanDerWaalsContact O-CG 3.27Å; P71-L75 WeakPolarHBondContact O-CG 3.41Å; P71-L75 PolarHBondContact O-N 3.36Å |
| 72 | K | 92.3 | Very high | 92.3 | Very high | 155 Ų | 155 | 59.6 Ų | 59.6 | 67% | 0.674 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -68.4 | -36 | 175.8 | -172.1 | 174.4 | -177.9 | 176.4 | 0 | 112.9 | S70 N76 | S70-K72 PolarHBondContact O-N 3.33Å; S70-K72 VanDerWaalsContact O-N 3.08Å; K72-N76 WeakPolarHBondContact O-CB 3.14Å; K72-N76 VanDerWaalsContact O-CG 3.24Å; K72-N76 PolarHBondContact O-N 2.89Å; K72-N76 VanDerWaalsContact O-N 3.15Å; K72-N76 PolarHBondContact O-OD1 3.37Å |
| 73 | Q | 92.7 | Very high | 92.3 | Very high | 97 Ų | 97 | 62.1 Ų | 62.1 | 45% | 0.453 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -70.1 | -42.7 | 173.8 | -71.9 | 163.4 | -64.3 | 0 | 0 | 111 | Y69 S70 L75 N76 S77 | Y69-Q73 HydrophobicContact CD1-CB 4.11Å; S70-Q73 WeakPolarHBondContact O-CA 3.36Å; S70-Q73 WeakPolarHBondContact O-CB 3.44Å; S70-Q73 PolarHBondContact O-N 2.85Å; S70-Q73 WeakPolarHBondContact OG-CG 3.41Å; S70-Q73 PolarHBondContact OG-N 3.42Å; S70-Q73 PolarHBondContact OG-OE1 2.86Å; Q73-L75 PolarHBondContact O-N 3.03Å; Q73-N76 PolarHBondContact O-N 3.46Å; Q73-S77 WeakPolarHBondContact O-CB 3.43Å; Q73-S77 PolarHBondContact O-N 2.9Å; Q73-S77 PolarHBondContact O-OG 3.43Å; Q73-S77 VanDerWaalsContact O-OG 3.07Å |
| 74 | L | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.8 | -49 | 175 | -68.3 | 173.5 | 0 | 0 | 0 | 111.5 | F62 P66 Y69 S70 P71 N76 S77 L78 F110 Y119 | F62-L74 HydrophobicContact CD2-CD2 3.79Å; F62-L74 HydrophobicContact CE2-CD2 4.41Å; P66-L74 HydrophobicContact CB-CD1 4.47Å; P66-L74 HydrophobicContact CB-CD2 3.96Å; Y69-L74 HydrophobicContact CD2-CD2 4.44Å; Y69-L74 HydrophobicContact CG-CD2 4.19Å; S70-L74 PolarHBondContact O-N 2.92Å; P71-L74 PolarHBondContact O-N 2.75Å; L74-N76 PolarHBondContact O-N 2.99Å; L74-S77 PolarHBondContact O-N 2.85Å; L74-L78 WeakPolarHBondContact O-CB 3.3Å; L74-L78 VanDerWaalsContact O-CG 3.29Å; L74-L78 WeakPolarHBondContact O-CG 3.47Å; L74-L78 PolarHBondContact O-N 2.89Å; L74-F110 HydrophobicContact CD1-CZ 4.39Å; L74-F110 HydrophobicContact CD2-CE2 4.48Å; L74-Y119 HydrophobicContact CD1-CD1 3.63Å; L74-Y119 HydrophobicContact CD1-CE1 3.85Å; L74-Y119 HydrophobicContact CD1-CG 4.28Å |
| 75 | L | 94.5 | Very high | 92.3 | Very high | 45 Ų | 45 | 57.6 Ų | 57.6 | 24% | 0.236 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.7 | -46.2 | 176.5 | -71.1 | 171.4 | 0 | 0 | 0 | 112.8 | P71 Q73 S77 L78 E79 C122 H125 | P71-L75 VanDerWaalsContact O-CG 3.27Å; P71-L75 WeakPolarHBondContact O-CG 3.41Å; P71-L75 PolarHBondContact O-N 3.36Å; Q73-L75 PolarHBondContact O-N 3.03Å; L75-S77 VanDerWaalsContact C-N 3.32Å; L75-S77 PolarHBondContact O-N 3.29Å; L75-L78 PolarHBondContact O-N 3.27Å; L75-E79 WeakPolarHBondContact O-CB 3.49Å; L75-E79 PolarHBondContact O-N 3.16Å; L75-C122 HydrophobicContact CD2-CB 4.48Å; L75-H125 HydrophobicContact CD2-CB 4.26Å; L75-H125 WeakPolarHBondContact CD2-ND1 3.45Å |
| 76 | N | 92.9 | Very high | 92.2 | Very high | 104 Ų | 104 | 59 Ų | 59 | 56% | 0.556 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -64.1 | -36.5 | 176.9 | -73.1 | -1.3 | 0 | 0 | 0 | 112.4 | K72 Q73 L74 N80 | K72-N76 WeakPolarHBondContact O-CB 3.14Å; K72-N76 VanDerWaalsContact O-CG 3.24Å; K72-N76 PolarHBondContact O-N 2.89Å; K72-N76 VanDerWaalsContact O-N 3.15Å; K72-N76 PolarHBondContact O-OD1 3.37Å; Q73-N76 PolarHBondContact O-N 3.46Å; L74-N76 PolarHBondContact O-N 2.99Å; N76-N80 WeakPolarHBondContact O-CB 3.22Å; N76-N80 PolarHBondContact O-N 2.95Å |
| 77 | S | 93.5 | Very high | 91.9 | Very high | 32 Ų | 32 | 63.6 Ų | 63.6 | 22% | 0.224 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -71.7 | -40 | 178.4 | -67.8 | 0 | 0 | 0 | 0 | 112.2 | Q73 L74 L75 N80 L81 | Q73-S77 WeakPolarHBondContact O-CB 3.43Å; Q73-S77 PolarHBondContact O-N 2.9Å; Q73-S77 PolarHBondContact O-OG 3.43Å; Q73-S77 VanDerWaalsContact O-OG 3.07Å; L74-S77 PolarHBondContact O-N 2.85Å; L75-S77 VanDerWaalsContact C-N 3.32Å; L75-S77 PolarHBondContact O-N 3.29Å; S77-N80 PolarHBondContact O-N 3.01Å; S77-L81 WeakPolarHBondContact O-CB 3.41Å; S77-L81 PolarHBondContact O-N 3.18Å |
| 78 | L | 95.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.2 | -45 | 171.5 | -70.9 | 161.4 | 0 | 0 | 0 | 111.3 | F62 L63 L74 L75 N80 L81 R82 F110 C122 H125 C126 C129 | F62-L78 HydrophobicContact CE2-CD2 3.89Å; F62-L78 HydrophobicContact CE2-CG 3.79Å; F62-L78 HydrophobicContact CZ-CB 4.48Å; F62-L78 HydrophobicContact CZ-CD2 3.73Å; F62-L78 HydrophobicContact CZ-CG 3.81Å; L63-L78 HydrophobicContact CD2-CD2 4.18Å; L74-L78 WeakPolarHBondContact O-CB 3.3Å; L74-L78 VanDerWaalsContact O-CG 3.29Å; L74-L78 WeakPolarHBondContact O-CG 3.47Å; L74-L78 PolarHBondContact O-N 2.89Å; L75-L78 PolarHBondContact O-N 3.27Å; L78-N80 PolarHBondContact O-N 3.09Å; L78-L81 PolarHBondContact O-N 2.95Å; L78-R82 WeakPolarHBondContact O-CB 3.38Å; L78-R82 PolarHBondContact O-N 3.03Å; L78-F110 HydrophobicContact CD1-CE1 3.87Å; L78-F110 HydrophobicContact CD1-CZ 4.49Å; L78-F110 HydrophobicContact CD2-CD1 4.41Å; L78-F110 HydrophobicContact CD2-CE1 4.26Å; L78-C122 HydrophobicContact CD1-CB 3.79Å; L78-H125 HydrophobicContact CB-CB 3.9Å; L78-H125 HydrophobicContact CD1-CB 3.93Å; L78-C126 HydrophobicContact CD2-CB 4.19Å; L78-C129 PolarHBondContact O-SG 2.69Å |
| 79 | E | 93.4 | Very high | 91.1 | Very high | 62 Ų | 62 | 53.5 Ų | 53.5 | 29% | 0.29 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.5 | -39.3 | 178.3 | -175.8 | 58.6 | -165.4 | 0 | 0 | 111.8 | L75 R82 V83 | L75-E79 WeakPolarHBondContact O-CB 3.49Å; L75-E79 PolarHBondContact O-N 3.16Å; E79-R82 PolarHBondContact O-N 3.24Å; E79-R82 IonicContact OE1-CZ 2.78Å; E79-R82 IonicContact OE1-NE 3.77Å; E79-R82 PolarHBondContact OE1-NE 3.35Å; E79-R82 IonicContact OE1-NH2 3.8Å; E79-R82 PolarHBondContact OE1-NH2 3.32Å; E79-R82 IonicContact OE2-CZ 3.15Å; E79-R82 IonicContact OE2-NE 2.78Å; E79-R82 PolarHBondContact OE2-NE 2.86Å; E79-R82 IonicContact OE2-NH2 2.75Å; E79-V83 WeakPolarHBondContact O-CB 3.48Å; E79-V83 VanDerWaalsContact O-CG2 3.27Å; E79-V83 WeakPolarHBondContact O-CG2 3.33Å; E79-V83 PolarHBondContact O-N 3.47Å |
| 80 | N | 91.9 | Very high | 90.7 | Very high | 74 Ų | 74 | 50.4 Ų | 50.4 | 40% | 0.396 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 171.6 | -179.7 | 63.9 | 0 | 0 | 0 | 112.4 | N76 S77 L78 V83 N84 | N76-N80 WeakPolarHBondContact O-CB 3.22Å; N76-N80 PolarHBondContact O-N 2.95Å; S77-N80 PolarHBondContact O-N 3.01Å; L78-N80 PolarHBondContact O-N 3.09Å; N80-V83 PolarHBondContact O-N 3.03Å; N80-N84 PolarHBondContact O-N 3.33Å; N80-N84 PolarHBondContact O-ND2 3.43Å; N80-N84 PolarHBondContact OD1-ND2 3Å |
| 81 | L | 94.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.2 | -45.8 | 175.9 | 175 | 57.7 | 0 | 0 | 0 | 111.2 | C59 F62 L63 S77 L78 V83 N84 L85 W92 F96 L107 | C59-L81 HydrophobicContact CB-CD1 4.04Å; F62-L81 HydrophobicContact CE1-CB 4.47Å; F62-L81 HydrophobicContact CE1-CD2 4.26Å; F62-L81 HydrophobicContact CZ-CD2 4.32Å; L63-L81 HydrophobicContact CD1-CD2 4.06Å; S77-L81 WeakPolarHBondContact O-CB 3.41Å; S77-L81 PolarHBondContact O-N 3.18Å; L78-L81 PolarHBondContact O-N 2.95Å; L81-V83 VanDerWaalsContact C-N 3.34Å; L81-V83 PolarHBondContact O-N 3.13Å; L81-N84 PolarHBondContact O-N 2.74Å; L81-N84 VanDerWaalsContact O-N 3.11Å; L81-L85 HydrophobicContact CD1-CD1 4Å; L81-L85 HydrophobicContact CD1-CG 4.21Å; L81-L85 HydrophobicContact CG-CD1 3.94Å; L81-L85 PolarHBondContact O-N 2.64Å; L81-W92 HydrophobicContact CD1-CH2 3.95Å; L81-F96 HydrophobicContact CD1-CD2 4.19Å; L81-F96 HydrophobicContact CD1-CE2 3.56Å; L81-F96 HydrophobicContact CD1-CZ 4.08Å; L81-F96 HydrophobicContact CD2-CE2 4.25Å; L81-F96 HydrophobicContact CD2-CZ 4.2Å; L81-L107 HydrophobicContact CD2-CD2 3.95Å |
| 82 | R | 93.5 | Very high | 90.4 | Very high | 66 Ų | 66 | 47.6 Ų | 47.6 | 25% | 0.249 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -55.6 | -47 | 173.7 | -171.8 | -177 | 78.6 | 95.1 | 0.1 | 111.7 | L78 E79 N84 L85 L86 A132 | L78-R82 WeakPolarHBondContact O-CB 3.38Å; L78-R82 PolarHBondContact O-N 3.03Å; E79-R82 PolarHBondContact O-N 3.24Å; E79-R82 IonicContact OE1-CZ 2.78Å; E79-R82 IonicContact OE1-NE 3.77Å; E79-R82 PolarHBondContact OE1-NE 3.35Å; E79-R82 IonicContact OE1-NH2 3.8Å; E79-R82 PolarHBondContact OE1-NH2 3.32Å; E79-R82 IonicContact OE2-CZ 3.15Å; E79-R82 IonicContact OE2-NE 2.78Å; E79-R82 PolarHBondContact OE2-NE 2.86Å; E79-R82 IonicContact OE2-NH2 2.75Å; R82-N84 VanDerWaalsContact C-N 3.31Å; R82-N84 PolarHBondContact O-N 3.44Å; R82-L85 PolarHBondContact O-N 3.12Å; R82-L86 HydrophobicContact CG-CD1 4.05Å; R82-L86 WeakPolarHBondContact O-CB 3.33Å; R82-L86 WeakPolarHBondContact O-CG 3.46Å; R82-L86 PolarHBondContact O-N 3.5Å; R82-A132 HydrophobicContact CG-CB 4.25Å |
| 83 | V | 90.1 | Very high | 90.3 | Very high | 61 Ų | 61 | 40.4 Ų | 40.4 | 37% | 0.37 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.7 | -36.8 | 177.4 | 167.4 | 0 | 0 | 0 | 0 | 111.5 | E79 N80 L81 N87 | E79-V83 WeakPolarHBondContact O-CB 3.48Å; E79-V83 VanDerWaalsContact O-CG2 3.27Å; E79-V83 WeakPolarHBondContact O-CG2 3.33Å; E79-V83 PolarHBondContact O-N 3.47Å; N80-V83 PolarHBondContact O-N 3.03Å; L81-V83 VanDerWaalsContact C-N 3.34Å; L81-V83 PolarHBondContact O-N 3.13Å; V83-N87 VanDerWaalsContact O-CB 3.31Å; V83-N87 WeakPolarHBondContact O-CB 3.21Å; V83-N87 PolarHBondContact O-N 2.97Å; V83-N87 VanDerWaalsContact O-N 3.13Å; V83-N87 PolarHBondContact O-ND2 3.13Å |
| 84 | N | 90.2 | Very high | 90.2 | Very high | 11 Ų | 11 | 40.1 Ų | 40.1 | 6% | 0.059 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.5 | -41.7 | 174.4 | -80.8 | -81.7 | 0 | 0 | 0 | 112.5 | N80 L81 R82 L86 N87 N88 W92 | N80-N84 PolarHBondContact O-N 3.33Å; N80-N84 PolarHBondContact O-ND2 3.43Å; N80-N84 PolarHBondContact OD1-ND2 3Å; L81-N84 PolarHBondContact O-N 2.74Å; L81-N84 VanDerWaalsContact O-N 3.11Å; R82-N84 VanDerWaalsContact C-N 3.31Å; R82-N84 PolarHBondContact O-N 3.44Å; N84-L86 VanDerWaalsContact C-N 3.3Å; N84-L86 PolarHBondContact O-N 2.85Å; N84-N87 PolarHBondContact O-N 3.26Å; N84-N88 WeakPolarHBondContact CB-ND2 3.46Å; N84-N88 VanDerWaalsContact O-CB 3.28Å; N84-N88 WeakPolarHBondContact O-CB 3.32Å; N84-N88 PolarHBondContact O-N 3.47Å; N84-N88 PolarHBondContact O-ND2 3.37Å; N84-N88 PolarHBondContact OD1-ND2 3.19Å; N84-N88 VanDerWaalsContact OD1-ND2 3.08Å; N84-W92 HydrophobicContact CB-CH2 3.82Å; N84-W92 HydrophobicContact CB-CZ2 3.71Å; N84-W92 HydrophobicContact CB-CZ3 4.45Å |
| 85 | L | 91.9 | Very high | 90 | Very high | 7 Ų | 7 | 44.6 Ų | 44.6 | 4% | 0.037 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.6 | -34.3 | 176.1 | -75.8 | 161.9 | 0 | 0 | 0 | 112.9 | L81 R82 W92 V93 F96 C129 A132 L133 | L81-L85 HydrophobicContact CD1-CD1 4Å; L81-L85 HydrophobicContact CD1-CG 4.21Å; L81-L85 HydrophobicContact CG-CD1 3.94Å; L81-L85 PolarHBondContact O-N 2.64Å; R82-L85 PolarHBondContact O-N 3.12Å; L85-W92 HydrophobicContact CD2-CE3 4.21Å; L85-W92 HydrophobicContact CD2-CZ3 3.61Å; L85-W92 HydrophobicContact CG-CZ3 3.85Å; L85-V93 HydrophobicContact CD2-CG2 4.35Å; L85-F96 HydrophobicContact CD2-CD1 4.12Å; L85-F96 HydrophobicContact CD2-CE1 4.4Å; L85-F96 HydrophobicContact CD2-CG 4.42Å; L85-C129 HydrophobicContact CD1-CB 4.02Å; L85-C129 WeakPolarHBondContact CD1-O 3.47Å; L85-A132 HydrophobicContact CB-CB 3.62Å; L85-A132 HydrophobicContact CD1-CB 4.39Å; L85-L133 HydrophobicContact CD2-CB 4.04Å |
| 86 | L | 88 | Confident | 90 | Very high | 77 Ų | 77 | 42.4 Ų | 42.4 | 40% | 0.403 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -82.8 | -27.8 | 179 | -69.6 | 173.7 | 0 | 0 | 0 | 114.7 | R82 N84 A132 | R82-L86 HydrophobicContact CG-CD1 4.05Å; R82-L86 WeakPolarHBondContact O-CB 3.33Å; R82-L86 WeakPolarHBondContact O-CG 3.46Å; R82-L86 PolarHBondContact O-N 3.5Å; N84-L86 VanDerWaalsContact C-N 3.3Å; N84-L86 PolarHBondContact O-N 2.85Å; L86-A132 HydrophobicContact CD2-CB 3.66Å; L86-A132 HydrophobicContact CG-CB 3.7Å |
| 87 | N | 84.5 | Confident | 90 | Very high | 102 Ų | 102 | 38.7 Ų | 38.7 | 55% | 0.545 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -110.3 | -8.9 | -170.9 | -68.9 | -83.2 | 0 | 0 | 0 | 114.6 | V83 N84 | V83-N87 VanDerWaalsContact O-CB 3.31Å; V83-N87 WeakPolarHBondContact O-CB 3.21Å; V83-N87 PolarHBondContact O-N 2.97Å; V83-N87 VanDerWaalsContact O-N 3.13Å; V83-N87 PolarHBondContact O-ND2 3.13Å; N84-N87 PolarHBondContact O-N 3.26Å |
| 88 | N | 84.5 | Confident | 89.9 | Confident | 27 Ų | 27 | 38.5 Ų | 38.5 | 14% | 0.144 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -100.9 | 166 | 172.1 | -59.9 | -46.3 | 0 | 0 | 0 | 109.8 | N84 W92 | N84-N88 WeakPolarHBondContact CB-ND2 3.46Å; N84-N88 VanDerWaalsContact O-CB 3.28Å; N84-N88 WeakPolarHBondContact O-CB 3.32Å; N84-N88 PolarHBondContact O-N 3.47Å; N84-N88 PolarHBondContact O-ND2 3.37Å; N84-N88 PolarHBondContact OD1-ND2 3.19Å; N84-N88 VanDerWaalsContact OD1-ND2 3.08Å; N88-W92 HydrophobicContact CB-CB 3.52Å; N88-W92 HydrophobicContact CB-CD2 3.93Å; N88-W92 HydrophobicContact CB-CG 3.43Å; N88-W92 VanDerWaalsContact CB-CG 3.43Å; N88-W92 PolarHBondContact ND2-NE1 3.26Å |
| 89 | G | 81.5 | Confident | 89.5 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | trans | -82.8 | 177.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | D19 S91 W92 V93 | D19-G89 CarbonylContact O-C 3.59Å; D19-G89 WeakPolarHBondContact O-CA 3.34Å; D19-G89 VanDerWaalsContact OD1-C 3.29Å; D19-G89 VanDerWaalsContact OD1-CA 3.28Å; D19-G89 WeakPolarHBondContact OD1-CA 3.39Å; G89-S91 PolarHBondContact O-N 2.78Å; G89-W92 WeakPolarHBondContact O-CB 3.35Å; G89-W92 PolarHBondContact O-N 2.71Å; G89-V93 PolarHBondContact O-N 3.28Å | ||
| 90 | V | 83.9 | Confident | 89.2 | Confident | 9 Ų | 9 | 46.9 Ų | 46.9 | 6% | 0.055 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.2 | -32.9 | 175.8 | -173.2 | 0 | 0 | 0 | 0 | 111.1 | D19 N21 W92 V93 R94 C136 | D19-V90 PolarHBondContact O-N 3.01Å; D19-V90 PolarHBondContact OD1-N 3Å; D19-V90 VanDerWaalsContact OD1-N 3.11Å; N21-V90 HydrophobicContact CB-CG2 3.97Å; N21-V90 WeakPolarHBondContact ND2-CG2 3.4Å; V90-W92 VanDerWaalsContact C-N 3.3Å; V90-W92 PolarHBondContact O-N 2.88Å; V90-V93 PolarHBondContact O-N 2.93Å; V90-R94 HydrophobicContact CG1-CG 4.29Å; V90-R94 WeakPolarHBondContact O-CB 3.31Å; V90-R94 WeakPolarHBondContact O-CG 3.36Å; V90-R94 PolarHBondContact O-N 3.02Å; V90-C136 HydrophobicContact CG2-CB 4.21Å |
| 91 | S | 84.6 | Confident | 89 | Confident | 50 Ų | 50 | 44.8 Ų | 44.8 | 35% | 0.35 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.3 | -37.8 | 174.8 | 77.6 | 0 | 0 | 0 | 0 | 112.6 | D19 G89 R94 E95 | D19-S91 WeakPolarHBondContact OD1-CB 3.42Å; D19-S91 PolarHBondContact OD1-N 2.65Å; D19-S91 PolarHBondContact OD1-OG 2.96Å; D19-S91 WeakPolarHBondContact OD2-CB 3.22Å; D19-S91 PolarHBondContact OD2-OG 3.49Å; G89-S91 PolarHBondContact O-N 2.78Å; S91-R94 PolarHBondContact O-N 3.45Å; S91-E95 WeakPolarHBondContact O-CB 3.49Å; S91-E95 PolarHBondContact O-N 3.26Å |
| 92 | W | 89.3 | Confident | 88.9 | Confident | 18 Ų | 18 | 48 Ų | 48 | 7% | 0.068 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -70.3 | -38.9 | 177.5 | -166.9 | 100.8 | 0 | 0 | 0 | 111 | N54 P56 C59 L81 N84 L85 N88 G89 V90 E95 F96 | N54-W92 PolarHBondContact O-NE1 3.27Å; P56-W92 HydrophobicContact CB-CH2 4.39Å; P56-W92 HydrophobicContact CB-CZ2 4.15Å; P56-W92 HydrophobicContact CG-CD2 3.97Å; P56-W92 HydrophobicContact CG-CG 4.19Å; P56-W92 HydrophobicContact CG-CZ2 3.98Å; C59-W92 HydrophobicContact CB-CH2 4.32Å; C59-W92 HydrophobicContact CB-CZ2 4.28Å; L81-W92 HydrophobicContact CD1-CH2 3.95Å; N84-W92 HydrophobicContact CB-CH2 3.82Å; N84-W92 HydrophobicContact CB-CZ2 3.71Å; N84-W92 HydrophobicContact CB-CZ3 4.45Å; L85-W92 HydrophobicContact CD2-CE3 4.21Å; L85-W92 HydrophobicContact CD2-CZ3 3.61Å; L85-W92 HydrophobicContact CG-CZ3 3.85Å; N88-W92 HydrophobicContact CB-CB 3.52Å; N88-W92 HydrophobicContact CB-CD2 3.93Å; N88-W92 HydrophobicContact CB-CG 3.43Å; N88-W92 VanDerWaalsContact CB-CG 3.43Å; N88-W92 PolarHBondContact ND2-NE1 3.26Å; G89-W92 WeakPolarHBondContact O-CB 3.35Å; G89-W92 PolarHBondContact O-N 2.71Å; V90-W92 VanDerWaalsContact C-N 3.3Å; V90-W92 PolarHBondContact O-N 2.88Å; W92-E95 PolarHBondContact O-N 2.89Å; W92-F96 HydrophobicContact CE3-CB 4.1Å; W92-F96 HydrophobicContact CH2-CB 4.45Å; W92-F96 AromaticContact CH2-CD2 3.98Å; W92-F96 HydrophobicContact CH2-CD2 3.98Å; W92-F96 HydrophobicContact CH2-CG 4.44Å; W92-F96 HydrophobicContact CZ3-CB 3.81Å; W92-F96 AromaticContact CZ3-CD2 3.96Å; W92-F96 HydrophobicContact CZ3-CD2 3.96Å; W92-F96 AromaticContact CZ3-CG 3.97Å; W92-F96 HydrophobicContact CZ3-CG 3.97Å; W92-F96 WeakPolarHBondContact O-CB 3.49Å; W92-F96 PolarHBondContact O-N 3.34Å |
| 93 | V | 91 | Very high | 88.9 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.024 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.7 | -40.3 | 174.8 | -174.7 | 0 | 0 | 0 | 0 | 111.3 | L85 G89 V90 F96 N97 L133 Y138 | L85-V93 HydrophobicContact CD2-CG2 4.35Å; G89-V93 PolarHBondContact O-N 3.28Å; V90-V93 PolarHBondContact O-N 2.93Å; V93-F96 PolarHBondContact O-N 3.37Å; V93-N97 WeakPolarHBondContact O-CB 3.47Å; V93-N97 PolarHBondContact O-N 2.81Å; V93-L133 HydrophobicContact CG1-CG 3.97Å; V93-Y138 HydrophobicContact CG1-CD1 4.23Å |
| 94 | R | 90.7 | Very high | 89.1 | Confident | 91 Ų | 91 | 42.1 Ų | 42.1 | 34% | 0.343 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.3 | -43.4 | 172.4 | -74.6 | 176.1 | -176.1 | 170.6 | 6 | 111.8 | V90 S91 N97 N98 Y138 | V90-R94 HydrophobicContact CG1-CG 4.29Å; V90-R94 WeakPolarHBondContact O-CB 3.31Å; V90-R94 WeakPolarHBondContact O-CG 3.36Å; V90-R94 PolarHBondContact O-N 3.02Å; S91-R94 PolarHBondContact O-N 3.45Å; R94-N97 CarbonylContact O-C 3.44Å; R94-N97 PolarHBondContact O-N 3.34Å; R94-N98 WeakPolarHBondContact O-CB 3.48Å; R94-N98 PolarHBondContact O-N 3.43Å; R94-Y138 HydrophobicContact CB-CD1 4.47Å; R94-Y138 HydrophobicContact CB-CE1 4.15Å; R94-Y138 HydrophobicContact CG-CD1 3.6Å; R94-Y138 HydrophobicContact CG-CD2 3.84Å; R94-Y138 HydrophobicContact CG-CE1 3.68Å; R94-Y138 HydrophobicContact CG-CE2 3.9Å; R94-Y138 HydrophobicContact CG-CG 3.7Å |
| 95 | E | 90.5 | Very high | 89.3 | Confident | 94 Ų | 94 | 44.5 Ų | 44.5 | 44% | 0.439 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -69.3 | -41.4 | 176.4 | -178.2 | 57.6 | -155.2 | 0 | 0 | 112 | P56 S91 W92 N97 N98 N101 | P56-E95 HydrophobicContact CB-CG 4.27Å; P56-E95 HydrophobicContact CG-CB 4.04Å; P56-E95 HydrophobicContact CG-CG 3.74Å; S91-E95 WeakPolarHBondContact O-CB 3.49Å; S91-E95 PolarHBondContact O-N 3.26Å; W92-E95 PolarHBondContact O-N 2.89Å; E95-N97 VanDerWaalsContact C-N 3.28Å; E95-N97 PolarHBondContact O-N 3.44Å; E95-N98 PolarHBondContact O-N 3.14Å; E95-N98 PolarHBondContact O-ND2 3.1Å; E95-N98 PolarHBondContact OE1-ND2 3.4Å; E95-N98 PolarHBondContact OE2-ND2 3.03Å; E95-N101 PolarHBondContact O-ND2 3.2Å; E95-N101 PolarHBondContact OE1-ND2 2.87Å; E95-N101 VanDerWaalsContact OE1-ND2 3.1Å |
| 96 | F | 93.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.3 | -40.6 | 173.5 | 178.7 | -99.3 | 0 | 0 | 0 | 112.4 | P56 A60 L81 L85 W92 V93 N101 G103 L107 L133 | P56-F96 HydrophobicContact CB-CB 3.89Å; P56-F96 HydrophobicContact CB-CD2 4.26Å; A60-F96 HydrophobicContact CB-CD2 4.49Å; A60-F96 HydrophobicContact CB-CE2 3.86Å; L81-F96 HydrophobicContact CD1-CD2 4.19Å; L81-F96 HydrophobicContact CD1-CE2 3.56Å; L81-F96 HydrophobicContact CD1-CZ 4.08Å; L81-F96 HydrophobicContact CD2-CE2 4.25Å; L81-F96 HydrophobicContact CD2-CZ 4.2Å; L85-F96 HydrophobicContact CD2-CD1 4.12Å; L85-F96 HydrophobicContact CD2-CE1 4.4Å; L85-F96 HydrophobicContact CD2-CG 4.42Å; W92-F96 HydrophobicContact CE3-CB 4.1Å; W92-F96 HydrophobicContact CH2-CB 4.45Å; W92-F96 AromaticContact CH2-CD2 3.98Å; W92-F96 HydrophobicContact CH2-CD2 3.98Å; W92-F96 HydrophobicContact CH2-CG 4.44Å; W92-F96 HydrophobicContact CZ3-CB 3.81Å; W92-F96 AromaticContact CZ3-CD2 3.96Å; W92-F96 HydrophobicContact CZ3-CD2 3.96Å; W92-F96 AromaticContact CZ3-CG 3.97Å; W92-F96 HydrophobicContact CZ3-CG 3.97Å; W92-F96 WeakPolarHBondContact O-CB 3.49Å; W92-F96 PolarHBondContact O-N 3.34Å; V93-F96 PolarHBondContact O-N 3.37Å; F96-N101 WeakPolarHBondContact O-CB 3.43Å; F96-G103 VanDerWaalsContact CE1-CA 3.41Å; F96-G103 VanDerWaalsContact O-CA 3.27Å; F96-G103 WeakPolarHBondContact O-CA 3.4Å; F96-G103 PolarHBondContact O-N 2.93Å; F96-L107 HydrophobicContact CE1-CD1 3.83Å; F96-L107 HydrophobicContact CZ-CD1 3.86Å; F96-L107 HydrophobicContact CZ-CG 4.2Å; F96-L133 HydrophobicContact CD1-CD1 3.71Å; F96-L133 HydrophobicContact CE1-CD1 3.64Å |
| 97 | N | 93.3 | Very high | 89.8 | Confident | 26 Ų | 26 | 41.5 Ų | 41.5 | 14% | 0.139 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 19 | -178.2 | -158.2 | 49.5 | 0 | 0 | 0 | 114.5 | V93 R94 E95 L104 Y138 A142 | V93-N97 WeakPolarHBondContact O-CB 3.47Å; V93-N97 PolarHBondContact O-N 2.81Å; R94-N97 CarbonylContact O-C 3.44Å; R94-N97 PolarHBondContact O-N 3.34Å; E95-N97 VanDerWaalsContact C-N 3.28Å; E95-N97 PolarHBondContact O-N 3.44Å; N97-L104 WeakPolarHBondContact OD1-CB 3.38Å; N97-L104 PolarHBondContact OD1-N 3.14Å; N97-Y138 HydrophobicContact CB-CE1 4.14Å; N97-A142 WeakPolarHBondContact ND2-CB 3.48Å |
| 98 | N | 90.9 | Very high | 90.3 | Very high | 27 Ų | 27 | 36.7 Ų | 36.7 | 14% | 0.144 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -69.8 | 161.8 | 173.6 | 78 | 24.5 | 0 | 0 | 0 | 110.7 | R94 E95 S100 N101 N102 | R94-N98 WeakPolarHBondContact O-CB 3.48Å; R94-N98 PolarHBondContact O-N 3.43Å; E95-N98 PolarHBondContact O-N 3.14Å; E95-N98 PolarHBondContact O-ND2 3.1Å; E95-N98 PolarHBondContact OE1-ND2 3.4Å; E95-N98 PolarHBondContact OE2-ND2 3.03Å; N98-S100 PolarHBondContact O-N 2.9Å; N98-S100 WeakPolarHBondContact OD1-CA 3.26Å; N98-S100 WeakPolarHBondContact OD1-CB 3.46Å; N98-S100 PolarHBondContact OD1-N 3.2Å; N98-N101 PolarHBondContact ND2-ND2 3.4Å; N98-N101 PolarHBondContact O-N 3.47Å; N98-N101 WeakPolarHBondContact OD1-CB 3.3Å; N98-N101 PolarHBondContact OD1-N 3.5Å; N98-N102 PolarHBondContact O-N 3.23Å |
| 99 | P | 87.1 | Confident | 90.7 | Very high | 128 Ų | 128 | 39 Ų | 39 | 83% | 0.831 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -19.9 | -178.1 | -27.3 | 36.3 | 0 | 0 | 0 | 115.5 | ||
| 100 | S | 86.8 | Confident | 91.3 | Very high | 111 Ų | 111 | 39 Ų | 39 | 78% | 0.776 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -40.1 | 179.2 | -54.2 | 0 | 0 | 0 | 0 | 112.5 | N98 | N98-S100 PolarHBondContact O-N 2.9Å; N98-S100 WeakPolarHBondContact OD1-CA 3.26Å; N98-S100 WeakPolarHBondContact OD1-CB 3.46Å; N98-S100 PolarHBondContact OD1-N 3.2Å |
| 101 | N | 89.1 | Confident | 91.9 | Very high | 29 Ų | 29 | 38.5 Ų | 38.5 | 16% | 0.155 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -29 | -177.5 | -67.5 | -30.3 | 0 | 0 | 0 | 112 | D57 E95 F96 N98 G103 N106 | D57-N101 WeakPolarHBondContact CB-OD1 3.07Å; E95-N101 PolarHBondContact O-ND2 3.2Å; E95-N101 PolarHBondContact OE1-ND2 2.87Å; E95-N101 VanDerWaalsContact OE1-ND2 3.1Å; F96-N101 WeakPolarHBondContact O-CB 3.43Å; N98-N101 PolarHBondContact ND2-ND2 3.4Å; N98-N101 PolarHBondContact O-N 3.47Å; N98-N101 WeakPolarHBondContact OD1-CB 3.3Å; N98-N101 PolarHBondContact OD1-N 3.5Å; N101-G103 PolarHBondContact O-N 3.44Å; N101-G103 VanDerWaalsContact O-N 3.14Å; N101-N106 PolarHBondContact O-ND2 3.33Å |
| 102 | N | 91.2 | Very high | 92.3 | Very high | 68 Ų | 68 | 36.3 Ų | 36.3 | 36% | 0.364 | 20% | 0.196 | S | C | . | . | trans | 49.8 | 37.9 | 173.3 | -158 | 17 | 0 | 0 | 0 | 114.1 | N98 L104 N105 N106 | N98-N102 PolarHBondContact O-N 3.23Å; N102-L104 PolarHBondContact O-N 2.94Å; N102-N105 PolarHBondContact ND2-ND2 3.43Å; N102-N105 PolarHBondContact O-N 3.42Å; N102-N105 VanDerWaalsContact OD1-CB 3.24Å; N102-N105 WeakPolarHBondContact OD1-CB 3.34Å; N102-N106 VanDerWaalsContact O-CG 3.26Å; N102-N106 PolarHBondContact O-N 2.9Å; N102-N106 PolarHBondContact O-ND2 2.91Å | ||
| 103 | G | 93.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.9 | -39 | -164.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | F96 N101 N106 L107 | F96-G103 VanDerWaalsContact CE1-CA 3.41Å; F96-G103 VanDerWaalsContact O-CA 3.27Å; F96-G103 WeakPolarHBondContact O-CA 3.4Å; F96-G103 PolarHBondContact O-N 2.93Å; N101-G103 PolarHBondContact O-N 3.44Å; N101-G103 VanDerWaalsContact O-N 3.14Å; G103-N106 PolarHBondContact O-N 3.41Å; G103-L107 WeakPolarHBondContact O-CG 3.34Å; G103-L107 PolarHBondContact O-N 2.92Å |
| 104 | L | 95.2 | Very high | 92.5 | Very high | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.5 | -47.2 | 176.3 | 175.9 | 56.9 | 0 | 0 | 0 | 111.5 | N97 N102 N106 L107 L108 L133 A142 L143 H146 | N97-L104 WeakPolarHBondContact OD1-CB 3.38Å; N97-L104 PolarHBondContact OD1-N 3.14Å; N102-L104 PolarHBondContact O-N 2.94Å; L104-N106 VanDerWaalsContact C-N 3.3Å; L104-N106 PolarHBondContact O-N 3.48Å; L104-L107 WeakPolarHBondContact O-CB 3.46Å; L104-L107 PolarHBondContact O-N 3.5Å; L104-L107 VanDerWaalsContact O-N 3.13Å; L104-L108 HydrophobicContact CD1-CD1 3.88Å; L104-L108 HydrophobicContact CD1-CG 4.01Å; L104-L108 HydrophobicContact CG-CD1 3.86Å; L104-L108 HydrophobicContact CG-CG 4.42Å; L104-L108 WeakPolarHBondContact O-CG 3.27Å; L104-L108 PolarHBondContact O-N 3.47Å; L104-L133 HydrophobicContact CB-CD1 4.23Å; L104-L133 HydrophobicContact CD1-CD2 4.38Å; L104-A142 HydrophobicContact CD2-CB 4.07Å; L104-A142 WeakPolarHBondContact CD2-O 3.18Å; L104-L143 HydrophobicContact CD1-CD2 3.63Å; L104-L143 HydrophobicContact CD1-CG 4.44Å; L104-L143 HydrophobicContact CD2-CD2 4.09Å; L104-L143 HydrophobicContact CD2-CG 4.37Å; L104-H146 HydrophobicContact CD2-CB 4.18Å |
| 105 | N | 93.7 | Very high | 92.5 | Very high | 62 Ų | 62 | 35.4 Ų | 35.4 | 33% | 0.332 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.9 | -39.6 | 178.5 | -173.7 | 75.1 | 0 | 0 | 0 | 111.4 | N102 L107 L108 H109 H146 | N102-N105 PolarHBondContact ND2-ND2 3.43Å; N102-N105 PolarHBondContact O-N 3.42Å; N102-N105 VanDerWaalsContact OD1-CB 3.24Å; N102-N105 WeakPolarHBondContact OD1-CB 3.34Å; N105-L107 VanDerWaalsContact C-N 3.33Å; N105-L107 PolarHBondContact O-N 3.46Å; N105-L108 PolarHBondContact O-N 2.87Å; N105-H109 WeakPolarHBondContact O-CB 3.44Å; N105-H109 PolarHBondContact O-N 2.91Å; N105-H146 PolarHBondContact OD1-NE2 3.29Å |
| 106 | N | 94.4 | Very high | 92.4 | Very high | 20 Ų | 20 | 32.9 Ų | 32.9 | 11% | 0.107 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.3 | -37.4 | 175 | -66.2 | -24.6 | 0 | 0 | 0 | 112.5 | L63 L64 N101 N102 G103 L104 F110 | L63-N106 HydrophobicContact CB-CB 4.23Å; L63-N106 HydrophobicContact CD1-CB 4.1Å; L64-N106 WeakPolarHBondContact CD2-OD1 3.49Å; N101-N106 PolarHBondContact O-ND2 3.33Å; N102-N106 VanDerWaalsContact O-CG 3.26Å; N102-N106 PolarHBondContact O-N 2.9Å; N102-N106 PolarHBondContact O-ND2 2.91Å; G103-N106 PolarHBondContact O-N 3.41Å; L104-N106 VanDerWaalsContact C-N 3.3Å; L104-N106 PolarHBondContact O-N 3.48Å; N106-F110 WeakPolarHBondContact O-CB 3.34Å; N106-F110 PolarHBondContact O-N 2.98Å; N106-F110 VanDerWaalsContact O-N 3.1Å |
| 107 | L | 96.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.9 | -41.6 | 172.7 | -77.5 | 171.6 | 0 | 0 | 0 | 112.1 | L63 L81 F96 G103 L104 N105 F110 L111 C126 C129 I130 | L63-L107 HydrophobicContact CD1-CD2 3.8Å; L63-L107 HydrophobicContact CD1-CG 4.03Å; L63-L107 HydrophobicContact CD2-CD2 4.22Å; L81-L107 HydrophobicContact CD2-CD2 3.95Å; F96-L107 HydrophobicContact CE1-CD1 3.83Å; F96-L107 HydrophobicContact CZ-CD1 3.86Å; F96-L107 HydrophobicContact CZ-CG 4.2Å; G103-L107 WeakPolarHBondContact O-CG 3.34Å; G103-L107 PolarHBondContact O-N 2.92Å; L104-L107 WeakPolarHBondContact O-CB 3.46Å; L104-L107 PolarHBondContact O-N 3.5Å; L104-L107 VanDerWaalsContact O-N 3.13Å; N105-L107 VanDerWaalsContact C-N 3.33Å; N105-L107 PolarHBondContact O-N 3.46Å; L107-F110 PolarHBondContact O-N 3.33Å; L107-L111 WeakPolarHBondContact O-CB 3.26Å; L107-L111 PolarHBondContact O-N 2.94Å; L107-C126 PolarHBondContact O-SG 3.44Å; L107-C129 HydrophobicContact CD1-CB 4.01Å; L107-C129 HydrophobicContact CD2-CB 3.69Å; L107-I130 HydrophobicContact CB-CD1 4.22Å; L107-I130 HydrophobicContact CB-CG1 3.85Å; L107-I130 HydrophobicContact CD1-CG1 4.12Å; L107-I130 HydrophobicContact CG-CG1 4.49Å |
| 108 | L | 95.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.9 | -43.2 | 179.7 | -70.3 | 169.4 | 0 | 0 | 0 | 112.2 | L104 N105 L111 A112 I130 H146 A149 F152 | L104-L108 HydrophobicContact CD1-CD1 3.88Å; L104-L108 HydrophobicContact CD1-CG 4.01Å; L104-L108 HydrophobicContact CG-CD1 3.86Å; L104-L108 HydrophobicContact CG-CG 4.42Å; L104-L108 WeakPolarHBondContact O-CG 3.27Å; L104-L108 PolarHBondContact O-N 3.47Å; N105-L108 PolarHBondContact O-N 2.87Å; L108-L111 WeakPolarHBondContact O-CB 3.46Å; L108-L111 PolarHBondContact O-N 3.42Å; L108-A112 PolarHBondContact O-N 3.36Å; L108-I130 HydrophobicContact CD2-CD1 3.94Å; L108-H146 VanDerWaalsContact CD1-CE1 3.44Å; L108-H146 WeakPolarHBondContact CD1-CE1 3.36Å; L108-H146 WeakPolarHBondContact CD1-NE2 3.31Å; L108-A149 HydrophobicContact CD1-CB 3.72Å; L108-A149 HydrophobicContact CD2-CB 4.23Å; L108-F152 HydrophobicContact CB-CD2 4.19Å; L108-F152 HydrophobicContact CD2-CB 4.37Å; L108-F152 HydrophobicContact CD2-CD2 4.3Å |
| 109 | H | 92.6 | Very high | 91.7 | Very high | 77 Ų | 77 | 45.8 Ų | 45.8 | 36% | 0.356 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.5 | -44.4 | 173.4 | -175.7 | 83.1 | 0 | 0 | 0 | 111.3 | N105 L111 A112 L113 A1021 | N105-H109 WeakPolarHBondContact O-CB 3.44Å; N105-H109 PolarHBondContact O-N 2.91Å; H109-L111 VanDerWaalsContact C-N 3.35Å; H109-L111 PolarHBondContact O-N 3.02Å; H109-A112 WeakPolarHBondContact O-CB 3.39Å; H109-A112 PolarHBondContact O-N 2.67Å; H109-L113 WeakPolarHBondContact O-CG 3.43Å; H109-L113 PolarHBondContact O-N 2.89Å; H109-A1021 PolarHBondContact ND1-O 2.9Å |
| 110 | F | 95 | Very high | 91.6 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.9 | -37.1 | 174.3 | -175.1 | -98.8 | 0 | 0 | 0 | 112.3 | L63 P66 L74 L78 N106 L107 A112 L113 T114 Y119 C122 C126 | L63-F110 HydrophobicContact CD2-CB 3.82Å; L63-F110 HydrophobicContact CD2-CD1 3.9Å; L63-F110 HydrophobicContact CD2-CD2 4.37Å; L63-F110 HydrophobicContact CD2-CG 3.75Å; P66-F110 HydrophobicContact CB-CD2 3.97Å; P66-F110 HydrophobicContact CB-CE2 3.58Å; P66-F110 HydrophobicContact CG-CD2 4.13Å; P66-F110 HydrophobicContact CG-CE2 4.17Å; L74-F110 HydrophobicContact CD1-CZ 4.39Å; L74-F110 HydrophobicContact CD2-CE2 4.48Å; L78-F110 HydrophobicContact CD1-CE1 3.87Å; L78-F110 HydrophobicContact CD1-CZ 4.49Å; L78-F110 HydrophobicContact CD2-CD1 4.41Å; L78-F110 HydrophobicContact CD2-CE1 4.26Å; N106-F110 WeakPolarHBondContact O-CB 3.34Å; N106-F110 PolarHBondContact O-N 2.98Å; N106-F110 VanDerWaalsContact O-N 3.1Å; L107-F110 PolarHBondContact O-N 3.33Å; F110-A112 PolarHBondContact O-N 3.2Å; F110-L113 WeakPolarHBondContact O-CB 3.38Å; F110-L113 PolarHBondContact O-N 3.23Å; F110-T114 HydrophobicContact CD1-CG2 4.14Å; F110-T114 HydrophobicContact CE1-CG2 3.8Å; F110-T114 HydrophobicContact CZ-CG2 4.28Å; F110-T114 VanDerWaalsContact O-CG2 3.26Å; F110-T114 WeakPolarHBondContact O-CG2 3.34Å; F110-T114 PolarHBondContact O-N 2.91Å; F110-Y119 HydrophobicContact CD2-CD2 4.46Å; F110-Y119 AromaticContact CE2-CD2 3.71Å; F110-Y119 HydrophobicContact CE2-CD2 3.71Å; F110-Y119 HydrophobicContact CE2-CE2 4.15Å; F110-Y119 HydrophobicContact CE2-CG 4.15Å; F110-Y119 HydrophobicContact CZ-CD2 4.22Å; F110-Y119 HydrophobicContact CZ-CG 4.26Å; F110-C122 HydrophobicContact CE1-CB 3.84Å; F110-C122 HydrophobicContact CZ-CB 3.95Å; F110-C126 HydrophobicContact CD1-CB 4.07Å; F110-C126 HydrophobicContact CE1-CB 4.34Å |
| 111 | L | 95.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.5 | -44.9 | 172.5 | -176.2 | 66.9 | 0 | 0 | 0 | 110.9 | L107 L108 H109 L113 T114 L115 C126 L127 I130 F152 | L107-L111 WeakPolarHBondContact O-CB 3.26Å; L107-L111 PolarHBondContact O-N 2.94Å; L108-L111 WeakPolarHBondContact O-CB 3.46Å; L108-L111 PolarHBondContact O-N 3.42Å; H109-L111 VanDerWaalsContact C-N 3.35Å; H109-L111 PolarHBondContact O-N 3.02Å; L111-L113 VanDerWaalsContact C-N 3.31Å; L111-L113 PolarHBondContact O-N 3.02Å; L111-T114 WeakPolarHBondContact O-CA 3.41Å; L111-T114 WeakPolarHBondContact O-CB 3.18Å; L111-T114 PolarHBondContact O-N 3.05Å; L111-T114 PolarHBondContact O-OG1 3.35Å; L111-L115 HydrophobicContact CG-CD1 4.07Å; L111-L115 WeakPolarHBondContact O-CG 3.47Å; L111-L115 PolarHBondContact O-N 2.97Å; L111-C126 HydrophobicContact CD1-CB 4.31Å; L111-L127 HydrophobicContact CD1-CB 4.46Å; L111-L127 HydrophobicContact CD2-CD1 4.04Å; L111-I130 HydrophobicContact CB-CD1 4.41Å; L111-I130 HydrophobicContact CD2-CD1 3.84Å; L111-F152 HydrophobicContact CD2-CB 4.03Å |
| 112 | A | 92.5 | Very high | 92.1 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 3% | 0.025 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60 | -37.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L108 H109 F110 T114 L115 T116 F152 V1017 A1021 | L108-A112 PolarHBondContact O-N 3.36Å; H109-A112 WeakPolarHBondContact O-CB 3.39Å; H109-A112 PolarHBondContact O-N 2.67Å; F110-A112 PolarHBondContact O-N 3.2Å; A112-T114 VanDerWaalsContact C-N 3.32Å; A112-T114 PolarHBondContact O-N 2.89Å; A112-L115 PolarHBondContact O-N 3.37Å; A112-T116 WeakPolarHBondContact O-CB 3.48Å; A112-T116 WeakPolarHBondContact O-CG2 3.39Å; A112-T116 PolarHBondContact O-N 2.91Å; A112-T116 PolarHBondContact O-OG1 3.29Å; A112-F152 HydrophobicContact CB-CD1 4.05Å; A112-F152 HydrophobicContact CB-CE1 3.75Å; A112-F152 HydrophobicContact CB-CZ 4.19Å; A112-V1017 HydrophobicContact CB-CG1 4.48Å; A112-A1021 HydrophobicContact CB-CB 3.44Å; A112-A1021 VanDerWaalsContact CB-CB 3.44Å |
| 113 | L | 92.4 | Very high | 92.3 | Very high | 39 Ų | 39 | 35.7 Ų | 35.7 | 20% | 0.204 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.3 | -32 | 171 | -64.4 | 174.6 | 0 | 0 | 0 | 112.9 | P66 H109 F110 L111 T116 Y118 Y119 | P66-L113 HydrophobicContact CG-CD1 4.31Å; H109-L113 WeakPolarHBondContact O-CG 3.43Å; H109-L113 PolarHBondContact O-N 2.89Å; F110-L113 WeakPolarHBondContact O-CB 3.38Å; F110-L113 PolarHBondContact O-N 3.23Å; L111-L113 VanDerWaalsContact C-N 3.31Å; L111-L113 PolarHBondContact O-N 3.02Å; L113-T116 WeakPolarHBondContact CA-OG1 3.38Å; L113-T116 PolarHBondContact O-OG1 3.33Å; L113-Y118 HydrophobicContact CD2-CD2 4.14Å; L113-Y118 HydrophobicContact CD2-CE2 4.49Å; L113-Y118 WeakPolarHBondContact O-CB 3.32Å; L113-Y118 PolarHBondContact O-N 3.18Å; L113-Y118 VanDerWaalsContact O-N 3.11Å; L113-Y119 HydrophobicContact CB-CD2 3.98Å; L113-Y119 HydrophobicContact CB-CE2 4.25Å; L113-Y119 HydrophobicContact CD1-CE2 4.3Å; L113-Y119 PolarHBondContact O-N 3.02Å |
| 114 | T | 93.1 | Very high | 92.4 | Very high | 5 Ų | 5 | 36.7 Ų | 36.7 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70.3 | -39.3 | 172.4 | 77.5 | 0 | 0 | 0 | 0 | 112.1 | F110 L111 A112 N117 Y119 C122 A123 | F110-T114 HydrophobicContact CD1-CG2 4.14Å; F110-T114 HydrophobicContact CE1-CG2 3.8Å; F110-T114 HydrophobicContact CZ-CG2 4.28Å; F110-T114 VanDerWaalsContact O-CG2 3.26Å; F110-T114 WeakPolarHBondContact O-CG2 3.34Å; F110-T114 PolarHBondContact O-N 2.91Å; L111-T114 WeakPolarHBondContact O-CA 3.41Å; L111-T114 WeakPolarHBondContact O-CB 3.18Å; L111-T114 PolarHBondContact O-N 3.05Å; L111-T114 PolarHBondContact O-OG1 3.35Å; A112-T114 VanDerWaalsContact C-N 3.32Å; A112-T114 PolarHBondContact O-N 2.89Å; T114-N117 PolarHBondContact O-N 3.32Å; T114-Y119 WeakPolarHBondContact CB-O 3.37Å; T114-Y119 WeakPolarHBondContact CG2-O 3.48Å; T114-C122 HydrophobicContact CG2-CB 4Å; T114-A123 WeakPolarHBondContact OG1-CA 3.29Å; T114-A123 WeakPolarHBondContact OG1-CB 2.87Å |
| 115 | L | 90.7 | Very high | 92.5 | Very high | 50 Ų | 50 | 39 Ų | 39 | 26% | 0.262 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -73.7 | -28.2 | -179.3 | -67 | 166.9 | 0 | 0 | 0 | 112.8 | L111 A112 N117 K155 | L111-L115 HydrophobicContact CG-CD1 4.07Å; L111-L115 WeakPolarHBondContact O-CG 3.47Å; L111-L115 PolarHBondContact O-N 2.97Å; A112-L115 PolarHBondContact O-N 3.37Å; L115-N117 PolarHBondContact O-N 2.82Å; L115-K155 HydrophobicContact CD1-CB 3.95Å; L115-K155 HydrophobicContact CD1-CG 4.01Å; L115-K155 HydrophobicContact CD2-CG 4.28Å |
| 116 | T | 87.8 | Confident | 92.6 | Very high | 41 Ų | 41 | 36 Ų | 36 | 25% | 0.252 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 14.4 | 170.1 | 49.9 | 0 | 0 | 0 | 0 | 113.3 | A112 L113 Y118 V1017 V1018 | A112-T116 WeakPolarHBondContact O-CB 3.48Å; A112-T116 WeakPolarHBondContact O-CG2 3.39Å; A112-T116 PolarHBondContact O-N 2.91Å; A112-T116 PolarHBondContact O-OG1 3.29Å; L113-T116 WeakPolarHBondContact CA-OG1 3.38Å; L113-T116 PolarHBondContact O-OG1 3.33Å; T116-Y118 VanDerWaalsContact C-N 3.32Å; T116-Y118 PolarHBondContact O-N 2.94Å; T116-Y118 WeakPolarHBondContact OG1-CD2 3.33Å; T116-V1017 HydrophobicContact CG2-CB 3.79Å; T116-V1017 HydrophobicContact CG2-CG1 3.78Å; T116-V1018 HydrophobicContact CG2-CG2 4Å |
| 117 | N | 84.1 | Confident | 92.8 | Very high | 124 Ų | 124 | 35 Ų | 35 | 66% | 0.663 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | 17.1 | 170.7 | -151.9 | 17.3 | 0 | 0 | 0 | 115.8 | T114 L115 P120 | T114-N117 PolarHBondContact O-N 3.32Å; L115-N117 PolarHBondContact O-N 2.82Å; N117-P120 WeakPolarHBondContact OD1-CB 3.35Å; N117-P120 VanDerWaalsContact OD1-CG 3.3Å; N117-P120 WeakPolarHBondContact OD1-CG 3.48Å |
| 118 | Y | 87.4 | Confident | 92.9 | Very high | 158 Ų | 158 | 39.4 Ų | 39.4 | 62% | 0.62 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -74.1 | -41.2 | 168.8 | -69.7 | -85.5 | 0 | 0 | 0 | 111.9 | L113 T116 | L113-Y118 HydrophobicContact CD2-CD2 4.14Å; L113-Y118 HydrophobicContact CD2-CE2 4.49Å; L113-Y118 WeakPolarHBondContact O-CB 3.32Å; L113-Y118 PolarHBondContact O-N 3.18Å; L113-Y118 VanDerWaalsContact O-N 3.11Å; T116-Y118 VanDerWaalsContact C-N 3.32Å; T116-Y118 PolarHBondContact O-N 2.94Å; T116-Y118 WeakPolarHBondContact OG1-CD2 3.33Å |
| 119 | Y | 91.5 | Very high | 93 | Very high | 43 Ų | 43 | 39.3 Ų | 39.3 | 17% | 0.169 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -133 | 53.8 | -178.2 | -50 | -72.4 | 0 | 0 | 0 | 112.6 | P66 Q67 L74 F110 L113 T114 S121 C122 | P66-Y119 HydrophobicContact CB-CE2 3.94Å; P66-Y119 HydrophobicContact CG-CE2 3.87Å; Q67-Y119 PolarHBondContact N-OH 3.46Å; L74-Y119 HydrophobicContact CD1-CD1 3.63Å; L74-Y119 HydrophobicContact CD1-CE1 3.85Å; L74-Y119 HydrophobicContact CD1-CG 4.28Å; F110-Y119 HydrophobicContact CD2-CD2 4.46Å; F110-Y119 AromaticContact CE2-CD2 3.71Å; F110-Y119 HydrophobicContact CE2-CD2 3.71Å; F110-Y119 HydrophobicContact CE2-CE2 4.15Å; F110-Y119 HydrophobicContact CE2-CG 4.15Å; F110-Y119 HydrophobicContact CZ-CD2 4.22Å; F110-Y119 HydrophobicContact CZ-CG 4.26Å; L113-Y119 HydrophobicContact CB-CD2 3.98Å; L113-Y119 HydrophobicContact CB-CE2 4.25Å; L113-Y119 HydrophobicContact CD1-CE2 4.3Å; L113-Y119 PolarHBondContact O-N 3.02Å; T114-Y119 WeakPolarHBondContact CB-O 3.37Å; T114-Y119 WeakPolarHBondContact CG2-O 3.48Å; Y119-S121 VanDerWaalsContact C-N 3.28Å; Y119-S121 PolarHBondContact O-N 3.3Å; Y119-S121 VanDerWaalsContact O-N 3.17Å; Y119-C122 WeakPolarHBondContact O-CB 3.48Å; Y119-C122 PolarHBondContact O-N 3.06Å |
| 120 | P | 86.2 | Confident | 93.2 | Very high | 59 Ų | 59 | 35.7 Ų | 35.7 | 38% | 0.383 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -60.8 | -31.9 | -168.4 | 26.5 | -37.7 | 0 | 0 | 0 | 113.9 | N117 C122 A123 | N117-P120 WeakPolarHBondContact OD1-CB 3.35Å; N117-P120 VanDerWaalsContact OD1-CG 3.3Å; N117-P120 WeakPolarHBondContact OD1-CG 3.48Å; P120-C122 PolarHBondContact O-N 3.06Å; P120-A123 PolarHBondContact O-N 3.17Å |
| 121 | S | 90.3 | Very high | 93.3 | Very high | 60 Ų | 60 | 37.7 Ų | 37.7 | 42% | 0.42 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -65.5 | -18.3 | 176.2 | 55.6 | 0 | 0 | 0 | 0 | 113.9 | Y119 | Y119-S121 VanDerWaalsContact C-N 3.28Å; Y119-S121 PolarHBondContact O-N 3.3Å; Y119-S121 VanDerWaalsContact O-N 3.17Å |
| 122 | C | 94.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -92.5 | -12.1 | -174.8 | -63.5 | 0 | 0 | 0 | 0 | 113.6 | L75 L78 F110 T114 Y119 P120 L124 H125 C126 | L75-C122 HydrophobicContact CD2-CB 4.48Å; L78-C122 HydrophobicContact CD1-CB 3.79Å; F110-C122 HydrophobicContact CE1-CB 3.84Å; F110-C122 HydrophobicContact CZ-CB 3.95Å; T114-C122 HydrophobicContact CG2-CB 4Å; Y119-C122 WeakPolarHBondContact O-CB 3.48Å; Y119-C122 PolarHBondContact O-N 3.06Å; P120-C122 PolarHBondContact O-N 3.06Å; C122-L124 PolarHBondContact O-N 3.02Å; C122-H125 PolarHBondContact O-N 3.31Å; C122-H125 VanDerWaalsContact O-N 3.08Å; C122-C126 PolarHBondContact O-N 3Å |
| 123 | A | 95.2 | Very high | 93.4 | Very high | 5 Ų | 5 | 37.8 Ų | 37.8 | 4% | 0.041 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -52 | -53.6 | -174 | 0 | 0 | 0 | 0 | 0 | 112.8 | T114 P120 H125 C126 L127 L164 | T114-A123 WeakPolarHBondContact OG1-CA 3.29Å; T114-A123 WeakPolarHBondContact OG1-CB 2.87Å; P120-A123 PolarHBondContact O-N 3.17Å; A123-H125 VanDerWaalsContact C-N 3.32Å; A123-H125 PolarHBondContact O-N 3.48Å; A123-C126 PolarHBondContact O-N 3.32Å; A123-L127 WeakPolarHBondContact O-CB 3.26Å; A123-L127 PolarHBondContact O-N 2.94Å; A123-L164 HydrophobicContact CB-CD1 4.29Å; A123-L164 HydrophobicContact CB-CD2 3.84Å |
| 124 | L | 96.7 | Very high | 93.5 | Very high | 20 Ų | 20 | 35.9 Ų | 35.9 | 11% | 0.105 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.5 | -39.1 | 178.6 | 177 | 61.3 | 0 | 0 | 0 | 113.2 | C122 R128 P163 L164 | C122-L124 PolarHBondContact O-N 3.02Å; L124-R128 HydrophobicContact CD1-CG 4.26Å; L124-R128 VanDerWaalsContact O-CB 3.29Å; L124-R128 WeakPolarHBondContact O-CB 3.45Å; L124-R128 WeakPolarHBondContact O-CG 3.5Å; L124-R128 PolarHBondContact O-N 3.11Å; L124-P163 HydrophobicContact CD1-CB 4.29Å; L124-P163 VanDerWaalsContact CD1-O 3.25Å; L124-P163 WeakPolarHBondContact CD1-O 3.2Å; L124-P163 HydrophobicContact CD2-CB 4.04Å; L124-L164 HydrophobicContact CB-CD1 4.39Å; L124-L164 HydrophobicContact CD1-CB 4.41Å |
| 125 | H | 96.4 | Very high | 93.5 | Very high | 51 Ų | 51 | 36.3 Ų | 36.3 | 24% | 0.236 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -74.8 | -34.5 | -178.4 | -65.1 | 82 | 0 | 0 | 0 | 111.2 | L75 L78 C122 A123 C129 | L75-H125 HydrophobicContact CD2-CB 4.26Å; L75-H125 WeakPolarHBondContact CD2-ND1 3.45Å; L78-H125 HydrophobicContact CB-CB 3.9Å; L78-H125 HydrophobicContact CD1-CB 3.93Å; C122-H125 PolarHBondContact O-N 3.31Å; C122-H125 VanDerWaalsContact O-N 3.08Å; A123-H125 VanDerWaalsContact C-N 3.32Å; A123-H125 PolarHBondContact O-N 3.48Å; H125-C129 PolarHBondContact O-N 3.43Å; H125-C129 VanDerWaalsContact O-N 3.16Å; H125-C129 PolarHBondContact O-SG 3.3Å |
| 126 | C | 97.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.4 | -48.2 | 171.7 | -168.9 | 0 | 0 | 0 | 0 | 112 | L78 L107 F110 L111 C122 A123 R128 C129 I130 | L78-C126 HydrophobicContact CD2-CB 4.19Å; L107-C126 PolarHBondContact O-SG 3.44Å; F110-C126 HydrophobicContact CD1-CB 4.07Å; F110-C126 HydrophobicContact CE1-CB 4.34Å; L111-C126 HydrophobicContact CD1-CB 4.31Å; C122-C126 PolarHBondContact O-N 3Å; A123-C126 PolarHBondContact O-N 3.32Å; C126-R128 VanDerWaalsContact C-N 3.26Å; C126-R128 PolarHBondContact O-N 2.82Å; C126-C129 WeakPolarHBondContact O-CA 3.5Å; C126-C129 VanDerWaalsContact O-CB 3.29Å; C126-C129 WeakPolarHBondContact O-CB 3.24Å; C126-C129 PolarHBondContact O-N 2.88Å; C126-I130 PolarHBondContact O-N 3.35Å |
| 127 | L | 97.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.3 | -35.2 | 178.1 | -166.2 | 67.3 | 0 | 0 | 0 | 111.8 | L111 A123 C129 I130 R131 I153 C156 L164 C167 A168 L171 | L111-L127 HydrophobicContact CD1-CB 4.46Å; L111-L127 HydrophobicContact CD2-CD1 4.04Å; A123-L127 WeakPolarHBondContact O-CB 3.26Å; A123-L127 PolarHBondContact O-N 2.94Å; L127-C129 VanDerWaalsContact C-N 3.33Å; L127-C129 PolarHBondContact O-N 3.47Å; L127-I130 HydrophobicContact CD1-CD1 4.4Å; L127-I130 CarbonylContact O-C 3.6Å; L127-I130 WeakPolarHBondContact O-CB 3.45Å; L127-I130 PolarHBondContact O-N 3.23Å; L127-I130 VanDerWaalsContact O-N 3.15Å; L127-R131 PolarHBondContact O-N 3.25Å; L127-I153 HydrophobicContact CD1-CG1 4.04Å; L127-I153 HydrophobicContact CD1-CG2 4.33Å; L127-C156 HydrophobicContact CD2-CB 4.19Å; L127-L164 HydrophobicContact CB-CD1 4.01Å; L127-L164 HydrophobicContact CD2-CD1 3.56Å; L127-L164 HydrophobicContact CG-CD1 4.44Å; L127-C167 HydrophobicContact CD2-CB 4.05Å; L127-A168 HydrophobicContact CD2-CB 3.83Å; L127-L171 HydrophobicContact CD1-CD1 3.56Å; L127-L171 HydrophobicContact CG-CD1 3.83Å |
| 128 | R | 97.7 | Very high | 93.8 | Very high | 91 Ų | 91 | 28.9 Ų | 28.9 | 34% | 0.343 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -67.3 | -27.1 | 171.3 | -77.2 | 174.1 | 170.7 | -177 | -2.5 | 114.3 | L124 C126 A132 | L124-R128 HydrophobicContact CD1-CG 4.26Å; L124-R128 VanDerWaalsContact O-CB 3.29Å; L124-R128 WeakPolarHBondContact O-CB 3.45Å; L124-R128 WeakPolarHBondContact O-CG 3.5Å; L124-R128 PolarHBondContact O-N 3.11Å; C126-R128 VanDerWaalsContact C-N 3.26Å; C126-R128 PolarHBondContact O-N 2.82Å; R128-A132 WeakPolarHBondContact O-CB 3.28Å; R128-A132 PolarHBondContact O-N 2.92Å |
| 129 | C | 97.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -68.9 | -42.3 | 168 | -63.3 | 0 | 0 | 0 | 0 | 110.4 | L78 L85 L107 H125 C126 L127 A132 L133 | L78-C129 PolarHBondContact O-SG 2.69Å; L85-C129 HydrophobicContact CD1-CB 4.02Å; L85-C129 WeakPolarHBondContact CD1-O 3.47Å; L107-C129 HydrophobicContact CD1-CB 4.01Å; L107-C129 HydrophobicContact CD2-CB 3.69Å; H125-C129 PolarHBondContact O-N 3.43Å; H125-C129 VanDerWaalsContact O-N 3.16Å; H125-C129 PolarHBondContact O-SG 3.3Å; C126-C129 WeakPolarHBondContact O-CA 3.5Å; C126-C129 VanDerWaalsContact O-CB 3.29Å; C126-C129 WeakPolarHBondContact O-CB 3.24Å; C126-C129 PolarHBondContact O-N 2.88Å; L127-C129 VanDerWaalsContact C-N 3.33Å; L127-C129 PolarHBondContact O-N 3.47Å; C129-A132 WeakPolarHBondContact O-CB 3.44Å; C129-A132 PolarHBondContact O-N 2.99Å; C129-L133 PolarHBondContact O-N 3.42Å |
| 130 | I | 97.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.6 | -43.3 | 176.3 | -64.8 | 165.5 | 0 | 0 | 0 | 111 | L107 L108 L111 C126 L127 A132 L133 G134 L143 I153 L171 | L107-I130 HydrophobicContact CB-CD1 4.22Å; L107-I130 HydrophobicContact CB-CG1 3.85Å; L107-I130 HydrophobicContact CD1-CG1 4.12Å; L107-I130 HydrophobicContact CG-CG1 4.49Å; L108-I130 HydrophobicContact CD2-CD1 3.94Å; L111-I130 HydrophobicContact CB-CD1 4.41Å; L111-I130 HydrophobicContact CD2-CD1 3.84Å; C126-I130 PolarHBondContact O-N 3.35Å; L127-I130 HydrophobicContact CD1-CD1 4.4Å; L127-I130 CarbonylContact O-C 3.6Å; L127-I130 WeakPolarHBondContact O-CB 3.45Å; L127-I130 PolarHBondContact O-N 3.23Å; L127-I130 VanDerWaalsContact O-N 3.15Å; I130-A132 PolarHBondContact O-N 3.2Å; I130-L133 PolarHBondContact O-N 2.73Å; I130-G134 PolarHBondContact O-N 3.36Å; I130-L143 HydrophobicContact CG2-CD1 4.25Å; I130-L143 HydrophobicContact CG2-CD2 3.7Å; I130-I153 HydrophobicContact CG2-CD1 4.4Å; I130-L171 HydrophobicContact CB-CD1 4.46Å; I130-L171 HydrophobicContact CG2-CD1 4.04Å; I130-L171 HydrophobicContact CG2-CD2 4.34Å |
| 131 | R | 96.7 | Very high | 94.7 | Very high | 42 Ų | 42 | 18.9 Ų | 18.9 | 16% | 0.158 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -58.8 | -43.7 | 170.9 | -167.9 | -151.7 | -169.6 | -88.1 | 7.2 | 112.1 | L127 G134 N135 E170 L171 I952 D953 | L127-R131 PolarHBondContact O-N 3.25Å; R131-G134 PolarHBondContact O-N 2.88Å; R131-N135 PolarHBondContact O-N 2.94Å; R131-N135 VanDerWaalsContact O-N 3.1Å; R131-E170 IonicContact CZ-OE1 3.19Å; R131-E170 IonicContact CZ-OE2 3.69Å; R131-E170 IonicContact NE-OE1 3.84Å; R131-E170 IonicContact NE-OE2 2.79Å; R131-E170 PolarHBondContact NE-OE2 3.04Å; R131-E170 IonicContact NH2-OE1 2.75Å; R131-E170 PolarHBondContact NH2-OE1 2.91Å; R131-E170 IonicContact NH2-OE2 2.63Å; R131-E170 PolarHBondContact NH2-OE2 3.36Å; R131-L171 HydrophobicContact CB-CD1 4.26Å; R131-L171 HydrophobicContact CB-CD2 4.49Å; R131-L171 HydrophobicContact CB-CG 4.3Å; R131-I952 HydrophobicContact CG-CD1 4.08Å; R131-I952 WeakPolarHBondContact O-CD1 3.47Å; R131-D953 IonicContact CZ-OD1 2.73Å; R131-D953 VanDerWaalsContact CZ-OD1 3.25Å; R131-D953 IonicContact NH1-OD1 2.74Å; R131-D953 PolarHBondContact NH1-OD1 3.02Å; R131-D953 IonicContact NH1-OD2 3.19Å; R131-D953 IonicContact NH2-OD1 2.64Å; R131-D953 PolarHBondContact NH2-OD1 3.15Å |
| 132 | A | 95.3 | Very high | 94.9 | Very high | 5 Ų | 5 | 16.9 Ų | 16.9 | 4% | 0.041 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.1 | -43.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | R82 L85 L86 R128 C129 I130 N135 | R82-A132 HydrophobicContact CG-CB 4.25Å; L85-A132 HydrophobicContact CB-CB 3.62Å; L85-A132 HydrophobicContact CD1-CB 4.39Å; L86-A132 HydrophobicContact CD2-CB 3.66Å; L86-A132 HydrophobicContact CG-CB 3.7Å; R128-A132 WeakPolarHBondContact O-CB 3.28Å; R128-A132 PolarHBondContact O-N 2.92Å; C129-A132 WeakPolarHBondContact O-CB 3.44Å; C129-A132 PolarHBondContact O-N 2.99Å; I130-A132 PolarHBondContact O-N 3.2Å; A132-N135 PolarHBondContact O-N 3.4Å |
| 133 | L | 95 | Very high | 95 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -59.6 | -48.5 | 173.1 | -179.6 | 149.8 | 0 | 0 | 0 | 111.4 | L85 V93 F96 L104 C129 I130 N135 C136 G139 L143 | L85-L133 HydrophobicContact CD2-CB 4.04Å; V93-L133 HydrophobicContact CG1-CG 3.97Å; F96-L133 HydrophobicContact CD1-CD1 3.71Å; F96-L133 HydrophobicContact CE1-CD1 3.64Å; L104-L133 HydrophobicContact CB-CD1 4.23Å; L104-L133 HydrophobicContact CD1-CD2 4.38Å; C129-L133 PolarHBondContact O-N 3.42Å; I130-L133 PolarHBondContact O-N 2.73Å; L133-N135 PolarHBondContact O-N 3.17Å; L133-C136 PolarHBondContact O-SG 3.26Å; L133-C136 VanDerWaalsContact O-SG 3.36Å; L133-G139 WeakPolarHBondContact CD2-O 3.46Å; L133-G139 WeakPolarHBondContact O-CA 3.47Å; L133-L143 HydrophobicContact CD2-CG 4.45Å |
| 134 | G | 93.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -68 | -8.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | I130 R131 C136 I952 | I130-G134 PolarHBondContact O-N 3.36Å; R131-G134 PolarHBondContact O-N 2.88Å; G134-C136 PolarHBondContact O-N 2.98Å; G134-I952 VanDerWaalsContact C-CD1 3.47Å; G134-I952 WeakPolarHBondContact O-CD1 3.36Å |
| 135 | N | 93.5 | Very high | 94.7 | Very high | 13 Ų | 13 | 20.2 Ų | 20.2 | 7% | 0.07 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 9.8 | -178.7 | -151.6 | 22.7 | 0 | 0 | 0 | 114.1 | R131 A132 L133 N950 V951 I952 D953 | R131-N135 PolarHBondContact O-N 2.94Å; R131-N135 VanDerWaalsContact O-N 3.1Å; A132-N135 PolarHBondContact O-N 3.4Å; L133-N135 PolarHBondContact O-N 3.17Å; N135-N950 WeakPolarHBondContact O-CA 3.33Å; N135-N950 PolarHBondContact O-N 2.9Å; N135-N950 VanDerWaalsContact OD1-CA 3.32Å; N135-N950 WeakPolarHBondContact OD1-CA 3.48Å; N135-V951 PolarHBondContact O-N 3.21Å; N135-V951 VanDerWaalsContact O-N 3.16Å; N135-V951 PolarHBondContact OD1-N 2.9Å; N135-V951 VanDerWaalsContact OD1-N 3.11Å; N135-I952 WeakPolarHBondContact OD1-CB 3.45Å; N135-I952 PolarHBondContact OD1-N 3.25Å; N135-D953 PolarHBondContact ND2-OD2 3.39Å; N135-D953 PolarHBondContact OD1-N 3.15Å; N135-D953 PolarHBondContact OD1-OD2 2.95Å |
| 136 | C | 89.8 | Confident | 94.6 | Very high | 8 Ų | 8 | 19.7 Ų | 19.7 | 5% | 0.054 | 9% | 0.091 | C | C | . | . | B | Isolated β-bridge | trans | -124.1 | 153.7 | 166.3 | 69.5 | 0 | 0 | 0 | 0 | 109.8 | V90 L133 G134 Y138 G139 L140 E948 | V90-C136 HydrophobicContact CG2-CB 4.21Å; L133-C136 PolarHBondContact O-SG 3.26Å; L133-C136 VanDerWaalsContact O-SG 3.36Å; G134-C136 PolarHBondContact O-N 2.98Å; C136-Y138 PolarHBondContact O-N 3.44Å; C136-G139 PolarHBondContact O-N 3.01Å; C136-G139 PolarHBondContact SG-N 3.33Å; C136-G139 VanDerWaalsContact SG-N 3.45Å; C136-L140 PolarHBondContact O-N 2.95Å; C136-E948 CarbonylContact C-O 3.09Å; C136-E948 WeakPolarHBondContact CA-O 3.33Å |
| 137 | G | 88.5 | Confident | 94.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.3 | -51 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G139 L140 Y141 T945 E948 | G137-G139 VanDerWaalsContact C-N 3.28Å; G137-G139 PolarHBondContact O-N 3.5Å; G137-L140 PolarHBondContact O-N 3.43Å; G137-L140 VanDerWaalsContact O-N 3.13Å; G137-Y141 WeakPolarHBondContact O-CD2 3.37Å; G137-Y141 PolarHBondContact O-N 3.37Å; G137-T945 WeakPolarHBondContact CA-O 3.26Å; G137-E948 PolarHBondContact N-O 3.14Å |
| 138 | Y | 91.2 | Very high | 93.8 | Very high | 51 Ų | 51 | 29.3 Ų | 29.3 | 20% | 0.2 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -51.9 | -44 | 174.1 | 170.6 | -94.5 | 0 | 0 | 0 | 113 | V93 R94 N97 C136 A142 E946 | V93-Y138 HydrophobicContact CG1-CD1 4.23Å; R94-Y138 HydrophobicContact CB-CD1 4.47Å; R94-Y138 HydrophobicContact CB-CE1 4.15Å; R94-Y138 HydrophobicContact CG-CD1 3.6Å; R94-Y138 HydrophobicContact CG-CD2 3.84Å; R94-Y138 HydrophobicContact CG-CE1 3.68Å; R94-Y138 HydrophobicContact CG-CE2 3.9Å; R94-Y138 HydrophobicContact CG-CG 3.7Å; N97-Y138 HydrophobicContact CB-CE1 4.14Å; C136-Y138 PolarHBondContact O-N 3.44Å; Y138-A142 WeakPolarHBondContact O-CB 3.4Å; Y138-A142 PolarHBondContact O-N 3.36Å; Y138-E946 PolarHBondContact N-O 3.4Å |
| 139 | G | 93.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -71.5 | -33 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L133 C136 G137 A142 L143 | L133-G139 WeakPolarHBondContact CD2-O 3.46Å; L133-G139 WeakPolarHBondContact O-CA 3.47Å; C136-G139 PolarHBondContact O-N 3.01Å; C136-G139 PolarHBondContact SG-N 3.33Å; C136-G139 VanDerWaalsContact SG-N 3.45Å; G137-G139 VanDerWaalsContact C-N 3.28Å; G137-G139 PolarHBondContact O-N 3.5Å; G139-A142 PolarHBondContact O-N 2.9Å; G139-L143 WeakPolarHBondContact O-CG 3.46Å; G139-L143 PolarHBondContact O-N 2.9Å; G139-L143 VanDerWaalsContact O-N 3.12Å |
| 140 | L | 94.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -69.2 | -41.9 | 174.1 | -173 | 59.5 | 0 | 0 | 0 | 111.5 | C136 G137 L143 V144 I175 C178 P944 V951 L955 | C136-L140 PolarHBondContact O-N 2.95Å; G137-L140 PolarHBondContact O-N 3.43Å; G137-L140 VanDerWaalsContact O-N 3.13Å; L140-L143 WeakPolarHBondContact O-CB 3.35Å; L140-L143 PolarHBondContact O-N 3.44Å; L140-V144 WeakPolarHBondContact O-CG2 3.34Å; L140-V144 PolarHBondContact O-N 3.04Å; L140-I175 HydrophobicContact CD1-CG1 4.11Å; L140-C178 HydrophobicContact CD2-CB 4.04Å; L140-C178 HydrophobicContact CG-CB 4.25Å; L140-P944 HydrophobicContact CD2-CG 4.04Å; L140-V951 HydrophobicContact CD2-CG1 3.98Å; L140-L955 HydrophobicContact CD2-CD1 4.06Å |
| 141 | Y | 94.5 | Very high | 93.5 | Very high | 50 Ų | 50 | 25.4 Ų | 25.4 | 20% | 0.196 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.4 | -40.2 | 172.4 | -74.4 | -66.5 | 0 | 0 | 0 | 112 | G137 L143 V144 D145 P944 E946 | G137-Y141 WeakPolarHBondContact O-CD2 3.37Å; G137-Y141 PolarHBondContact O-N 3.37Å; Y141-L143 PolarHBondContact O-N 3.28Å; Y141-V144 CarbonylContact O-C 3.42Å; Y141-V144 PolarHBondContact O-N 3.39Å; Y141-D145 WeakPolarHBondContact O-CB 3.24Å; Y141-D145 PolarHBondContact O-N 3.01Å; Y141-P944 WeakPolarHBondContact CE2-O 3.38Å; Y141-P944 VanDerWaalsContact CZ-O 3.31Å; Y141-P944 PolarHBondContact OH-O 3.45Å; Y141-E946 HydrophobicContact CD2-CG 4Å; Y141-E946 HydrophobicContact CE2-CG 4.38Å |
| 142 | A | 94.9 | Very high | 93.4 | Very high | 19 Ų | 19 | 23.8 Ų | 23.8 | 16% | 0.157 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.3 | -32.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | N97 L104 Y138 G139 H146 | N97-A142 WeakPolarHBondContact ND2-CB 3.48Å; L104-A142 HydrophobicContact CD2-CB 4.07Å; L104-A142 WeakPolarHBondContact CD2-O 3.18Å; Y138-A142 WeakPolarHBondContact O-CB 3.4Å; Y138-A142 PolarHBondContact O-N 3.36Å; G139-A142 PolarHBondContact O-N 2.9Å; A142-H146 VanDerWaalsContact O-CB 3.31Å; A142-H146 WeakPolarHBondContact O-CB 3.43Å; A142-H146 PolarHBondContact O-N 3.47Å |
| 143 | L | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -73.4 | -40.1 | 172.3 | -75.1 | 166.3 | 0 | 0 | 0 | 113.2 | L104 I130 L133 G139 L140 Y141 D145 A149 I153 L171 I175 | L104-L143 HydrophobicContact CD1-CD2 3.63Å; L104-L143 HydrophobicContact CD1-CG 4.44Å; L104-L143 HydrophobicContact CD2-CD2 4.09Å; L104-L143 HydrophobicContact CD2-CG 4.37Å; I130-L143 HydrophobicContact CG2-CD1 4.25Å; I130-L143 HydrophobicContact CG2-CD2 3.7Å; L133-L143 HydrophobicContact CD2-CG 4.45Å; G139-L143 WeakPolarHBondContact O-CG 3.46Å; G139-L143 PolarHBondContact O-N 2.9Å; G139-L143 VanDerWaalsContact O-N 3.12Å; L140-L143 WeakPolarHBondContact O-CB 3.35Å; L140-L143 PolarHBondContact O-N 3.44Å; Y141-L143 PolarHBondContact O-N 3.28Å; L143-D145 VanDerWaalsContact C-N 3.31Å; L143-A149 HydrophobicContact CD2-CB 4.24Å; L143-I153 HydrophobicContact CD2-CD1 4.32Å; L143-L171 HydrophobicContact CD1-CD2 3.94Å; L143-I175 HydrophobicContact CB-CD1 4.1Å; L143-I175 HydrophobicContact CB-CG1 4.27Å |
| 144 | V | 93.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64 | -37.2 | 174.8 | 169.8 | 0 | 0 | 0 | 0 | 111.4 | L140 Y141 I175 C178 K181 N185 | L140-V144 WeakPolarHBondContact O-CG2 3.34Å; L140-V144 PolarHBondContact O-N 3.04Å; Y141-V144 CarbonylContact O-C 3.42Å; Y141-V144 PolarHBondContact O-N 3.39Å; V144-I175 HydrophobicContact CG2-CG2 3.95Å; V144-C178 HydrophobicContact CG2-CB 4.05Å; V144-K181 HydrophobicContact CG1-CB 4.15Å; V144-K181 HydrophobicContact CG1-CD 4.04Å; V144-K181 HydrophobicContact CG1-CG 3.97Å; V144-N185 PolarHBondContact O-ND2 3.26Å |
| 145 | D | 93.1 | Very high | 93.7 | Very high | 95 Ų | 95 | 25.1 Ų | 25.1 | 51% | 0.508 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -84.4 | -15.1 | -175.1 | -72.2 | -31.3 | 0 | 0 | 0 | 114.3 | Y141 L143 K181 | Y141-D145 WeakPolarHBondContact O-CB 3.24Å; Y141-D145 PolarHBondContact O-N 3.01Å; L143-D145 VanDerWaalsContact C-N 3.31Å; D145-K181 IonicContact OD1-NZ 3.31Å; D145-K181 PolarHBondContact OD1-NZ 3.02Å |
| 146 | H | 94.2 | Very high | 93.8 | Very high | 40 Ų | 40 | 24.5 Ų | 24.5 | 19% | 0.185 | 12% | 0.121 | C | C | . | . | trans | -84.2 | 116.1 | -177.4 | -172 | -59.7 | 0 | 0 | 0 | 112.7 | L104 N105 L108 A142 S148 A149 | L104-H146 HydrophobicContact CD2-CB 4.18Å; N105-H146 PolarHBondContact OD1-NE2 3.29Å; L108-H146 VanDerWaalsContact CD1-CE1 3.44Å; L108-H146 WeakPolarHBondContact CD1-CE1 3.36Å; L108-H146 WeakPolarHBondContact CD1-NE2 3.31Å; A142-H146 VanDerWaalsContact O-CB 3.31Å; A142-H146 WeakPolarHBondContact O-CB 3.43Å; A142-H146 PolarHBondContact O-N 3.47Å; H146-S148 PolarHBondContact ND1-N 2.9Å; H146-S148 PolarHBondContact O-N 3.36Å; H146-S148 VanDerWaalsContact O-N 3.11Å; H146-A149 HydrophobicContact CB-CB 3.85Å; H146-A149 PolarHBondContact ND1-N 3.08Å; H146-A149 PolarHBondContact O-N 3.44Å; H146-A149 VanDerWaalsContact O-N 3.13Å | ||
| 147 | E | 88.1 | Confident | 94.2 | Very high | 175 Ų | 175 | 24.6 Ų | 24.6 | 82% | 0.818 | 12% | 0.121 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -46.6 | -46.3 | -170.9 | -170.1 | 174.7 | 172.6 | 0 | 0 | 115 | ||
| 148 | S | 89.8 | Confident | 94.3 | Very high | 26 Ų | 26 | 27.6 Ų | 27.6 | 18% | 0.182 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 4.6 | -175.3 | -39.7 | 0 | 0 | 0 | 0 | 115.3 | H146 T150 T151 F152 | H146-S148 PolarHBondContact ND1-N 2.9Å; H146-S148 PolarHBondContact O-N 3.36Å; H146-S148 VanDerWaalsContact O-N 3.11Å; S148-T150 PolarHBondContact O-N 3.5Å; S148-T151 PolarHBondContact O-N 3.06Å; S148-F152 WeakPolarHBondContact O-CD2 3.47Å; S148-F152 PolarHBondContact O-N 3.38Å |
| 149 | A | 96 | Very high | 94.3 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.2 | -46.3 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L108 L143 H146 T151 F152 I153 | L108-A149 HydrophobicContact CD1-CB 3.72Å; L108-A149 HydrophobicContact CD2-CB 4.23Å; L143-A149 HydrophobicContact CD2-CB 4.24Å; H146-A149 HydrophobicContact CB-CB 3.85Å; H146-A149 PolarHBondContact ND1-N 3.08Å; H146-A149 PolarHBondContact O-N 3.44Å; H146-A149 VanDerWaalsContact O-N 3.13Å; A149-T151 VanDerWaalsContact C-N 3.31Å; A149-T151 PolarHBondContact O-N 3.17Å; A149-F152 PolarHBondContact O-N 2.7Å; A149-I153 WeakPolarHBondContact O-CD1 3.14Å; A149-I153 VanDerWaalsContact O-CG1 3.24Å; A149-I153 WeakPolarHBondContact O-CG1 3.42Å; A149-I153 PolarHBondContact O-N 3.26Å; A149-I153 VanDerWaalsContact O-N 3.08Å |
| 150 | T | 96.8 | Very high | 94.1 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.2 | -35.2 | 177.6 | 49.6 | 0 | 0 | 0 | 0 | 112.3 | S148 I153 A154 I175 N185 V186 | S148-T150 PolarHBondContact O-N 3.5Å; T150-I153 PolarHBondContact O-N 2.95Å; T150-A154 WeakPolarHBondContact O-CB 3.32Å; T150-A154 PolarHBondContact O-N 2.82Å; T150-I175 HydrophobicContact CG2-CD1 4.25Å; T150-I175 HydrophobicContact CG2-CG2 3.94Å; T150-N185 WeakPolarHBondContact CB-O 3.28Å; T150-N185 HydrophobicContact CG2-CB 4.06Å; T150-N185 PolarHBondContact OG1-O 3.31Å; T150-V186 HydrophobicContact CG2-CG2 3.81Å |
| 151 | T | 94.2 | Very high | 94 | Very high | 8 Ų | 8 | 39 Ų | 39 | 5% | 0.049 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.2 | -47.2 | 175.7 | -52.8 | 0 | 0 | 0 | 0 | 112.1 | S148 A149 A154 K155 F192 L196 | S148-T151 PolarHBondContact O-N 3.06Å; A149-T151 VanDerWaalsContact C-N 3.31Å; A149-T151 PolarHBondContact O-N 3.17Å; T151-A154 PolarHBondContact O-N 2.87Å; T151-K155 WeakPolarHBondContact O-CB 3.48Å; T151-K155 PolarHBondContact O-N 3.24Å; T151-F192 HydrophobicContact CG2-CB 3.73Å; T151-L196 HydrophobicContact CG2-CD1 3.94Å |
| 152 | F | 94.8 | Very high | 94.1 | Very high | 7 Ų | 7 | 38.1 Ų | 38.1 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.2 | -33.3 | 178.4 | -62.7 | -54.5 | 0 | 0 | 0 | 113.1 | L108 L111 A112 S148 A149 C156 V1017 V1020 A1021 | L108-F152 HydrophobicContact CB-CD2 4.19Å; L108-F152 HydrophobicContact CD2-CB 4.37Å; L108-F152 HydrophobicContact CD2-CD2 4.3Å; L111-F152 HydrophobicContact CD2-CB 4.03Å; A112-F152 HydrophobicContact CB-CD1 4.05Å; A112-F152 HydrophobicContact CB-CE1 3.75Å; A112-F152 HydrophobicContact CB-CZ 4.19Å; S148-F152 WeakPolarHBondContact O-CD2 3.47Å; S148-F152 PolarHBondContact O-N 3.38Å; A149-F152 PolarHBondContact O-N 2.7Å; F152-C156 PolarHBondContact O-SG 2.71Å; F152-V1017 HydrophobicContact CE1-CG1 4.32Å; F152-V1020 HydrophobicContact CE1-CG1 4.23Å; F152-V1020 HydrophobicContact CZ-CB 4.4Å; F152-V1020 HydrophobicContact CZ-CG1 3.92Å; F152-V1020 WeakPolarHBondContact CZ-O 3.05Å; F152-A1021 HydrophobicContact CE1-CB 4.04Å; F152-A1021 HydrophobicContact CZ-CB 3.65Å |
| 153 | I | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.7 | -43.3 | 174 | -60.9 | 164.2 | 0 | 0 | 0 | 110.1 | L127 I130 L143 A149 T150 K155 C156 A168 L171 L172 I175 | L127-I153 HydrophobicContact CD1-CG1 4.04Å; L127-I153 HydrophobicContact CD1-CG2 4.33Å; I130-I153 HydrophobicContact CG2-CD1 4.4Å; L143-I153 HydrophobicContact CD2-CD1 4.32Å; A149-I153 WeakPolarHBondContact O-CD1 3.14Å; A149-I153 VanDerWaalsContact O-CG1 3.24Å; A149-I153 WeakPolarHBondContact O-CG1 3.42Å; A149-I153 PolarHBondContact O-N 3.26Å; A149-I153 VanDerWaalsContact O-N 3.08Å; T150-I153 PolarHBondContact O-N 2.95Å; I153-K155 VanDerWaalsContact C-N 3.3Å; I153-K155 PolarHBondContact O-N 3.38Å; I153-C156 VanDerWaalsContact O-CB 3.24Å; I153-C156 WeakPolarHBondContact O-CB 3.15Å; I153-C156 PolarHBondContact O-N 3.01Å; I153-C156 VanDerWaalsContact O-N 3.08Å; I153-A168 HydrophobicContact CG2-CB 4.13Å; I153-L171 HydrophobicContact CD1-CB 4.42Å; I153-L171 HydrophobicContact CD1-CD1 4.33Å; I153-L171 HydrophobicContact CG2-CB 3.88Å; I153-L171 HydrophobicContact CG2-CD1 4.34Å; I153-L172 HydrophobicContact CB-CD2 4.06Å; I153-L172 HydrophobicContact CB-CG 4.44Å; I153-L172 HydrophobicContact CG2-CD1 4.24Å; I153-L172 HydrophobicContact CG2-CD2 3.83Å; I153-L172 HydrophobicContact CG2-CG 3.66Å; I153-I175 HydrophobicContact CD1-CD1 3.91Å |
| 154 | A | 97.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.5 | -37.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T150 T151 C156 L157 L172 G189 L190 | T150-A154 WeakPolarHBondContact O-CB 3.32Å; T150-A154 PolarHBondContact O-N 2.82Å; T151-A154 PolarHBondContact O-N 2.87Å; A154-C156 PolarHBondContact O-N 2.86Å; A154-C156 VanDerWaalsContact O-N 3.17Å; A154-L157 VanDerWaalsContact O-CB 3.23Å; A154-L157 WeakPolarHBondContact O-CB 3.38Å; A154-L157 VanDerWaalsContact O-CG 3.28Å; A154-L157 WeakPolarHBondContact O-CG 3.34Å; A154-L157 PolarHBondContact O-N 3.22Å; A154-L172 HydrophobicContact CB-CD1 4.36Å; A154-G189 WeakPolarHBondContact CB-O 3.26Å; A154-L190 HydrophobicContact CB-CD2 4.07Å; A154-L190 HydrophobicContact CB-CG 4.41Å |
| 155 | K | 94.8 | Very high | 94.4 | Very high | 34 Ų | 34 | 40.9 Ų | 40.9 | 15% | 0.148 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.8 | -22.4 | 175.2 | -165.8 | 74.7 | -160.3 | 83.9 | 0 | 113.6 | L115 T151 I153 L157 D158 S193 N197 | L115-K155 HydrophobicContact CD1-CB 3.95Å; L115-K155 HydrophobicContact CD1-CG 4.01Å; L115-K155 HydrophobicContact CD2-CG 4.28Å; T151-K155 WeakPolarHBondContact O-CB 3.48Å; T151-K155 PolarHBondContact O-N 3.24Å; I153-K155 VanDerWaalsContact C-N 3.3Å; I153-K155 PolarHBondContact O-N 3.38Å; K155-L157 VanDerWaalsContact C-N 3.25Å; K155-L157 PolarHBondContact O-N 2.91Å; K155-D158 IonicContact NZ-OD2 3.21Å; K155-D158 PolarHBondContact NZ-OD2 3.42Å; K155-S193 VanDerWaalsContact CA-OG 3.27Å; K155-S193 WeakPolarHBondContact CA-OG 3.39Å; K155-S193 PolarHBondContact N-OG 2.82Å; K155-N197 VanDerWaalsContact CE-OD1 3.23Å; K155-N197 WeakPolarHBondContact CE-OD1 3.36Å; K155-N197 PolarHBondContact NZ-OD1 3.09Å |
| 156 | C | 96.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -71.5 | -17.6 | 174.2 | -62.4 | 0 | 0 | 0 | 0 | 113.4 | L127 F152 I153 A154 D158 S159 L164 A168 | L127-C156 HydrophobicContact CD2-CB 4.19Å; F152-C156 PolarHBondContact O-SG 2.71Å; I153-C156 VanDerWaalsContact O-CB 3.24Å; I153-C156 WeakPolarHBondContact O-CB 3.15Å; I153-C156 PolarHBondContact O-N 3.01Å; I153-C156 VanDerWaalsContact O-N 3.08Å; A154-C156 PolarHBondContact O-N 2.86Å; A154-C156 VanDerWaalsContact O-N 3.17Å; C156-D158 PolarHBondContact O-N 3.34Å; C156-S159 WeakPolarHBondContact O-CB 3.45Å; C156-S159 PolarHBondContact O-N 2.92Å; C156-L164 HydrophobicContact CB-CD1 4.17Å; C156-L164 HydrophobicContact CB-CD2 4.42Å; C156-L164 HydrophobicContact CB-CG 4.07Å; C156-A168 HydrophobicContact CB-CB 3.8Å |
| 157 | L | 96.9 | Very high | 94.7 | Very high | 9 Ų | 9 | 37.3 Ų | 37.3 | 5% | 0.047 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -69.7 | -20 | 179 | -59.5 | 174.2 | 0 | 0 | 0 | 113.3 | A154 K155 S159 V165 A168 I169 L172 L190 P206 L207 | A154-L157 VanDerWaalsContact O-CB 3.23Å; A154-L157 WeakPolarHBondContact O-CB 3.38Å; A154-L157 VanDerWaalsContact O-CG 3.28Å; A154-L157 WeakPolarHBondContact O-CG 3.34Å; A154-L157 PolarHBondContact O-N 3.22Å; K155-L157 VanDerWaalsContact C-N 3.25Å; K155-L157 PolarHBondContact O-N 2.91Å; L157-S159 PolarHBondContact O-N 3.48Å; L157-V165 HydrophobicContact CD2-CG1 4.2Å; L157-A168 HydrophobicContact CD2-CB 3.82Å; L157-A168 HydrophobicContact CG-CB 4.43Å; L157-I169 HydrophobicContact CD2-CD1 4.33Å; L157-I169 HydrophobicContact CD2-CG1 3.54Å; L157-L172 HydrophobicContact CD1-CD1 3.77Å; L157-L172 HydrophobicContact CD2-CD1 4.38Å; L157-L172 HydrophobicContact CG-CD1 4.23Å; L157-L190 HydrophobicContact CD1-CD2 3.62Å; L157-P206 HydrophobicContact CB-CB 3.64Å; L157-P206 HydrophobicContact CB-CG 4.47Å; L157-P206 HydrophobicContact CD1-CB 4.49Å; L157-L207 HydrophobicContact CD1-CD2 3.89Å; L157-L207 HydrophobicContact CD2-CD2 4.29Å |
| 158 | D | 91.2 | Very high | 95.2 | Very high | 63 Ų | 63 | 29 Ų | 29 | 34% | 0.337 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | -79.8 | 6.5 | 178.1 | -60.7 | -55.8 | 0 | 0 | 0 | 113.7 | K155 C156 N197 P206 | K155-D158 IonicContact NZ-OD2 3.21Å; K155-D158 PolarHBondContact NZ-OD2 3.42Å; C156-D158 PolarHBondContact O-N 3.34Å; D158-N197 VanDerWaalsContact CG-ND2 3.26Å; D158-N197 PolarHBondContact OD1-ND2 3.19Å; D158-N197 PolarHBondContact OD2-ND2 3.42Å; D158-P206 WeakPolarHBondContact OD1-CG 3.37Å |
| 159 | S | 90.8 | Very high | 95.6 | Very high | 39 Ų | 39 | 27.8 Ų | 27.8 | 27% | 0.273 | 15% | 0.154 | S | C | . | . | trans | -88.5 | 139.8 | -174.1 | -169.1 | 0 | 0 | 0 | 0 | 113.4 | C156 L157 Q161 V165 | C156-S159 WeakPolarHBondContact O-CB 3.45Å; C156-S159 PolarHBondContact O-N 2.92Å; L157-S159 PolarHBondContact O-N 3.48Å; S159-Q161 PolarHBondContact O-N 2.97Å; S159-Q161 VanDerWaalsContact O-N 3.16Å; S159-Q161 PolarHBondContact OG-N 3.47Å; S159-V165 WeakPolarHBondContact O-CG2 3.33Å | ||
| 160 | D | 89 | Confident | 95.6 | Very high | 167 Ų | 167 | 29.4 Ų | 29.4 | 89% | 0.893 | 16% | 0.162 | S | C | * | . | S | Bend | trans | -66 | -10 | 168.1 | -56 | -53.4 | 0 | 0 | 0 | 113.4 | S162 | D160-S162 PolarHBondContact O-N 3.49Š|
| 161 | Q | 93.1 | Very high | 95.7 | Very high | 84 Ų | 84 | 29.3 Ų | 29.3 | 39% | 0.393 | 16% | 0.161 | S | C | . | . | trans | -84.7 | 96.4 | 177.8 | -65.6 | -176.8 | 27.4 | 0 | 0 | 110.8 | S159 P163 L164 V165 | S159-Q161 PolarHBondContact O-N 2.97Å; S159-Q161 VanDerWaalsContact O-N 3.16Å; S159-Q161 PolarHBondContact OG-N 3.47Å; Q161-P163 VanDerWaalsContact C-N 3.28Å; Q161-P163 VanDerWaalsContact O-N 3.11Å; Q161-L164 HydrophobicContact CB-CB 3.94Å; Q161-L164 WeakPolarHBondContact O-CA 3.49Å; Q161-L164 WeakPolarHBondContact O-CB 3.31Å; Q161-L164 PolarHBondContact O-N 2.95Å; Q161-V165 PolarHBondContact O-N 2.71Å; Q161-V165 VanDerWaalsContact O-N 3.14Å | ||
| 162 | S | 96.4 | Very high | 95.8 | Very high | 32 Ų | 32 | 29 Ų | 29 | 22% | 0.224 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -46.8 | -42 | 176.7 | -34.3 | 0 | 0 | 0 | 0 | 113.9 | D160 L164 V165 D166 V216 | D160-S162 PolarHBondContact O-N 3.49Å; S162-L164 VanDerWaalsContact C-N 3.29Å; S162-L164 PolarHBondContact O-N 2.93Å; S162-V165 PolarHBondContact O-N 2.71Å; S162-D166 WeakPolarHBondContact O-CB 3.4Å; S162-D166 PolarHBondContact O-N 3.17Å; S162-V216 WeakPolarHBondContact O-CG1 3.44Å |
| 163 | P | 96.8 | Very high | 95.9 | Very high | 66 Ų | 66 | 28.6 Ų | 28.6 | 43% | 0.429 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -67.5 | -22.1 | 177.1 | -21.5 | 34.6 | 0 | 0 | 0 | 115.4 | L124 Q161 C167 | L124-P163 HydrophobicContact CD1-CB 4.29Å; L124-P163 VanDerWaalsContact CD1-O 3.25Å; L124-P163 WeakPolarHBondContact CD1-O 3.2Å; L124-P163 HydrophobicContact CD2-CB 4.04Å; Q161-P163 VanDerWaalsContact C-N 3.28Å; Q161-P163 VanDerWaalsContact O-N 3.11Å; P163-C167 WeakPolarHBondContact O-CB 3.45Å; P163-C167 PolarHBondContact O-N 3.27Å |
| 164 | L | 96.8 | Very high | 95.7 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.016 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -79.3 | -43.3 | 173.7 | 177.9 | 64 | 0 | 0 | 0 | 110.2 | A123 L124 L127 C156 Q161 S162 C167 A168 | A123-L164 HydrophobicContact CB-CD1 4.29Å; A123-L164 HydrophobicContact CB-CD2 3.84Å; L124-L164 HydrophobicContact CB-CD1 4.39Å; L124-L164 HydrophobicContact CD1-CB 4.41Å; L127-L164 HydrophobicContact CB-CD1 4.01Å; L127-L164 HydrophobicContact CD2-CD1 3.56Å; L127-L164 HydrophobicContact CG-CD1 4.44Å; C156-L164 HydrophobicContact CB-CD1 4.17Å; C156-L164 HydrophobicContact CB-CD2 4.42Å; C156-L164 HydrophobicContact CB-CG 4.07Å; Q161-L164 HydrophobicContact CB-CB 3.94Å; Q161-L164 WeakPolarHBondContact O-CA 3.49Å; Q161-L164 WeakPolarHBondContact O-CB 3.31Å; Q161-L164 PolarHBondContact O-N 2.95Å; S162-L164 VanDerWaalsContact C-N 3.29Å; S162-L164 PolarHBondContact O-N 2.93Å; L164-C167 PolarHBondContact O-N 2.94Å; L164-A168 WeakPolarHBondContact O-CB 3.38Å; L164-A168 PolarHBondContact O-N 3.19Å |
| 165 | V | 97.6 | Very high | 95.6 | Very high | 9 Ų | 9 | 28.6 Ų | 28.6 | 6% | 0.055 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.7 | -47 | 174.8 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | L157 S159 Q161 S162 C167 A168 I169 A210 | L157-V165 HydrophobicContact CD2-CG1 4.2Å; S159-V165 WeakPolarHBondContact O-CG2 3.33Å; Q161-V165 PolarHBondContact O-N 2.71Å; Q161-V165 VanDerWaalsContact O-N 3.14Å; S162-V165 PolarHBondContact O-N 2.71Å; V165-C167 PolarHBondContact O-N 2.97Å; V165-A168 WeakPolarHBondContact O-CB 3.47Å; V165-A168 PolarHBondContact O-N 3.32Å; V165-I169 HydrophobicContact CG1-CD1 3.77Å; V165-I169 HydrophobicContact CG1-CG1 4.4Å; V165-I169 VanDerWaalsContact O-CG1 3.28Å; V165-I169 WeakPolarHBondContact O-CG1 3.36Å; V165-I169 PolarHBondContact O-N 3.36Å; V165-A210 HydrophobicContact CG1-CB 4.47Å |
| 166 | D | 97.2 | Very high | 95.5 | Very high | 55 Ų | 55 | 27 Ų | 27 | 29% | 0.294 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -54.4 | -52.8 | 176.1 | -165.5 | 52.2 | 0 | 0 | 0 | 112 | S162 A168 I169 E170 V216 | S162-D166 WeakPolarHBondContact O-CB 3.4Å; S162-D166 PolarHBondContact O-N 3.17Å; D166-A168 VanDerWaalsContact C-N 3.28Å; D166-A168 PolarHBondContact O-N 3.02Å; D166-I169 PolarHBondContact O-N 3Å; D166-I169 VanDerWaalsContact O-N 3.15Å; D166-E170 PolarHBondContact O-N 3.18Å; D166-V216 HydrophobicContact CB-CG1 3.86Å |
| 167 | C | 97.6 | Very high | 95.2 | Very high | 5 Ų | 5 | 27.5 Ų | 27.5 | 3% | 0.034 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.1 | -28.9 | 179.1 | -172.6 | 0 | 0 | 0 | 0 | 113.2 | L127 P163 L164 V165 L171 | L127-C167 HydrophobicContact CD2-CB 4.05Å; P163-C167 WeakPolarHBondContact O-CB 3.45Å; P163-C167 PolarHBondContact O-N 3.27Å; L164-C167 PolarHBondContact O-N 2.94Å; V165-C167 PolarHBondContact O-N 2.97Å; C167-L171 PolarHBondContact O-N 3.45Å |
| 168 | A | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -72.9 | -40.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L127 I153 C156 L157 L164 V165 D166 L171 L172 | L127-A168 HydrophobicContact CD2-CB 3.83Å; I153-A168 HydrophobicContact CG2-CB 4.13Å; C156-A168 HydrophobicContact CB-CB 3.8Å; L157-A168 HydrophobicContact CD2-CB 3.82Å; L157-A168 HydrophobicContact CG-CB 4.43Å; L164-A168 WeakPolarHBondContact O-CB 3.38Å; L164-A168 PolarHBondContact O-N 3.19Å; V165-A168 WeakPolarHBondContact O-CB 3.47Å; V165-A168 PolarHBondContact O-N 3.32Å; D166-A168 VanDerWaalsContact C-N 3.28Å; D166-A168 PolarHBondContact O-N 3.02Å; A168-L171 PolarHBondContact O-N 3.15Å; A168-L172 VanDerWaalsContact O-CG 3.32Å; A168-L172 WeakPolarHBondContact O-CG 3.34Å; A168-L172 PolarHBondContact O-N 3.27Å |
| 169 | I | 98 | Very high | 94.5 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.3 | -44.3 | 175.9 | -69.1 | 169.8 | 0 | 0 | 0 | 111.2 | L157 V165 D166 L171 L172 S173 L207 A219 F223 | L157-I169 HydrophobicContact CD2-CD1 4.33Å; L157-I169 HydrophobicContact CD2-CG1 3.54Å; V165-I169 HydrophobicContact CG1-CD1 3.77Å; V165-I169 HydrophobicContact CG1-CG1 4.4Å; V165-I169 VanDerWaalsContact O-CG1 3.28Å; V165-I169 WeakPolarHBondContact O-CG1 3.36Å; V165-I169 PolarHBondContact O-N 3.36Å; D166-I169 PolarHBondContact O-N 3Å; D166-I169 VanDerWaalsContact O-N 3.15Å; I169-L171 VanDerWaalsContact C-N 3.33Å; I169-L171 PolarHBondContact O-N 3.12Å; I169-L172 PolarHBondContact O-N 3.38Å; I169-S173 WeakPolarHBondContact O-CB 3.41Å; I169-S173 PolarHBondContact O-N 2.73Å; I169-S173 PolarHBondContact O-OG 3.08Å; I169-L207 HydrophobicContact CD1-CD2 4.43Å; I169-L207 HydrophobicContact CG1-CD2 4.26Å; I169-A219 HydrophobicContact CB-CB 4.45Å; I169-A219 HydrophobicContact CD1-CB 4.42Å; I169-A219 HydrophobicContact CG2-CB 3.89Å; I169-A219 VanDerWaalsContact CG2-O 3.3Å; I169-A219 WeakPolarHBondContact CG2-O 3.32Å; I169-F223 HydrophobicContact CG2-CB 3.64Å; I169-F223 HydrophobicContact CG2-CD1 4.21Å; I169-F223 HydrophobicContact CG2-CG 4.17Å |
| 170 | E | 96.2 | Very high | 94.2 | Very high | 35 Ų | 35 | 27 Ų | 27 | 16% | 0.164 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.8 | -46.1 | 174.9 | -71.1 | -171.1 | 129.8 | 0 | 0 | 111.9 | R131 D166 S174 M956 | R131-E170 IonicContact CZ-OE1 3.19Å; R131-E170 IonicContact CZ-OE2 3.69Å; R131-E170 IonicContact NE-OE1 3.84Å; R131-E170 IonicContact NE-OE2 2.79Å; R131-E170 PolarHBondContact NE-OE2 3.04Å; R131-E170 IonicContact NH2-OE1 2.75Å; R131-E170 PolarHBondContact NH2-OE1 2.91Å; R131-E170 IonicContact NH2-OE2 2.63Å; R131-E170 PolarHBondContact NH2-OE2 3.36Å; D166-E170 PolarHBondContact O-N 3.18Å; E170-S174 WeakPolarHBondContact O-CB 3.37Å; E170-S174 PolarHBondContact O-N 3.31Å; E170-S174 PolarHBondContact O-OG 3.41Å; E170-M956 HydrophobicContact CB-CG 4.49Å; E170-M956 HydrophobicContact CB-SD 4.19Å; E170-M956 HydrophobicContact CG-CE 4.04Å; E170-M956 HydrophobicContact CG-CG 4.38Å; E170-M956 HydrophobicContact CG-SD 4.2Å |
| 171 | L | 97.9 | Very high | 94 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.5 | -50.5 | 179.5 | -90.1 | 167.6 | 0 | 0 | 0 | 112 | L127 I130 R131 L143 I153 C167 A168 I169 S173 S174 I175 I952 | L127-L171 HydrophobicContact CD1-CD1 3.56Å; L127-L171 HydrophobicContact CG-CD1 3.83Å; I130-L171 HydrophobicContact CB-CD1 4.46Å; I130-L171 HydrophobicContact CG2-CD1 4.04Å; I130-L171 HydrophobicContact CG2-CD2 4.34Å; R131-L171 HydrophobicContact CB-CD1 4.26Å; R131-L171 HydrophobicContact CB-CD2 4.49Å; R131-L171 HydrophobicContact CB-CG 4.3Å; L143-L171 HydrophobicContact CD1-CD2 3.94Å; I153-L171 HydrophobicContact CD1-CB 4.42Å; I153-L171 HydrophobicContact CD1-CD1 4.33Å; I153-L171 HydrophobicContact CG2-CB 3.88Å; I153-L171 HydrophobicContact CG2-CD1 4.34Å; C167-L171 PolarHBondContact O-N 3.45Å; A168-L171 PolarHBondContact O-N 3.15Å; I169-L171 VanDerWaalsContact C-N 3.33Å; I169-L171 PolarHBondContact O-N 3.12Å; L171-S173 VanDerWaalsContact C-N 3.34Å; L171-S173 PolarHBondContact O-N 3.15Å; L171-S174 PolarHBondContact O-N 3.33Å; L171-I175 VanDerWaalsContact O-CG1 3.27Å; L171-I175 WeakPolarHBondContact O-CG1 3.04Å; L171-I175 PolarHBondContact O-N 3.24Å; L171-I952 HydrophobicContact CD2-CD1 4.03Å |
| 172 | L | 97.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.1 | -38.6 | 179.8 | -65.2 | 168 | 0 | 0 | 0 | 111.7 | I153 A154 L157 A168 I169 S174 I175 A176 V186 F223 | I153-L172 HydrophobicContact CB-CD2 4.06Å; I153-L172 HydrophobicContact CB-CG 4.44Å; I153-L172 HydrophobicContact CG2-CD1 4.24Å; I153-L172 HydrophobicContact CG2-CD2 3.83Å; I153-L172 HydrophobicContact CG2-CG 3.66Å; A154-L172 HydrophobicContact CB-CD1 4.36Å; L157-L172 HydrophobicContact CD1-CD1 3.77Å; L157-L172 HydrophobicContact CD2-CD1 4.38Å; L157-L172 HydrophobicContact CG-CD1 4.23Å; A168-L172 VanDerWaalsContact O-CG 3.32Å; A168-L172 WeakPolarHBondContact O-CG 3.34Å; A168-L172 PolarHBondContact O-N 3.27Å; I169-L172 PolarHBondContact O-N 3.38Å; L172-S174 VanDerWaalsContact C-N 3.33Å; L172-S174 PolarHBondContact O-N 3.03Å; L172-I175 PolarHBondContact O-N 2.99Å; L172-A176 VanDerWaalsContact O-CB 3.22Å; L172-A176 WeakPolarHBondContact O-CB 3.47Å; L172-A176 PolarHBondContact O-N 3.45Å; L172-V186 HydrophobicContact CB-CG1 4.27Å; L172-V186 HydrophobicContact CB-CG2 4.47Å; L172-V186 HydrophobicContact CD2-CG1 4.34Å; L172-V186 HydrophobicContact CD2-CG2 4.06Å; L172-F223 HydrophobicContact CB-CE1 3.87Å; L172-F223 HydrophobicContact CB-CE2 3.92Å; L172-F223 HydrophobicContact CB-CZ 3.46Å; L172-F223 VanDerWaalsContact CB-CZ 3.46Å; L172-F223 HydrophobicContact CD1-CE1 4.02Å; L172-F223 HydrophobicContact CD1-CZ 4.23Å; L172-F223 HydrophobicContact CG-CZ 4.43Å |
| 173 | S | 95.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60 | -44.6 | 173.4 | -59.3 | 0 | 0 | 0 | 0 | 111.2 | I169 L171 A176 L177 F223 | I169-S173 WeakPolarHBondContact O-CB 3.41Å; I169-S173 PolarHBondContact O-N 2.73Å; I169-S173 PolarHBondContact O-OG 3.08Å; L171-S173 VanDerWaalsContact C-N 3.34Å; L171-S173 PolarHBondContact O-N 3.15Å; S173-A176 PolarHBondContact O-N 2.91Å; S173-L177 VanDerWaalsContact O-CB 3.28Å; S173-L177 WeakPolarHBondContact O-CB 3.49Å; S173-L177 VanDerWaalsContact O-CG 3.23Å; S173-L177 WeakPolarHBondContact O-CG 3.15Å; S173-L177 PolarHBondContact O-N 3.35Å; S173-F223 WeakPolarHBondContact OG-CB 3.27Å; S173-F223 VanDerWaalsContact OG-CD2 3.26Å; S173-F223 WeakPolarHBondContact OG-CD2 3.34Å; S173-F223 WeakPolarHBondContact OG-CG 3.42Å |
| 174 | S | 94.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67.9 | -42.1 | -179.7 | -58.5 | 0 | 0 | 0 | 0 | 112.6 | E170 L171 L172 L177 C178 | E170-S174 WeakPolarHBondContact O-CB 3.37Å; E170-S174 PolarHBondContact O-N 3.31Å; E170-S174 PolarHBondContact O-OG 3.41Å; L171-S174 PolarHBondContact O-N 3.33Å; L172-S174 VanDerWaalsContact C-N 3.33Å; L172-S174 PolarHBondContact O-N 3.03Å; S174-L177 PolarHBondContact O-N 3.01Å; S174-C178 WeakPolarHBondContact O-CB 3.44Å; S174-C178 PolarHBondContact O-N 2.96Å |
| 175 | I | 95 | Very high | 93 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64 | -44.9 | 175.2 | -65.7 | 165.7 | 0 | 0 | 0 | 110 | L140 L143 V144 T150 I153 L171 L172 L177 C178 G182 V186 | L140-I175 HydrophobicContact CD1-CG1 4.11Å; L143-I175 HydrophobicContact CB-CD1 4.1Å; L143-I175 HydrophobicContact CB-CG1 4.27Å; V144-I175 HydrophobicContact CG2-CG2 3.95Å; T150-I175 HydrophobicContact CG2-CD1 4.25Å; T150-I175 HydrophobicContact CG2-CG2 3.94Å; I153-I175 HydrophobicContact CD1-CD1 3.91Å; L171-I175 VanDerWaalsContact O-CG1 3.27Å; L171-I175 WeakPolarHBondContact O-CG1 3.04Å; L171-I175 PolarHBondContact O-N 3.24Å; L172-I175 PolarHBondContact O-N 2.99Å; I175-L177 VanDerWaalsContact C-N 3.33Å; I175-L177 PolarHBondContact O-N 3.33Å; I175-C178 WeakPolarHBondContact O-CB 3.45Å; I175-C178 PolarHBondContact O-N 3.45Å; I175-G182 CarbonylContact O-C 3.57Å; I175-G182 WeakPolarHBondContact O-CA 3.26Å; I175-V186 HydrophobicContact CB-CG2 3.86Å; I175-V186 HydrophobicContact CG2-CG2 3.6Å |
| 176 | A | 92.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.5 | -33.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | L172 S173 Y183 V186 F223 V226 R230 | L172-A176 VanDerWaalsContact O-CB 3.22Å; L172-A176 WeakPolarHBondContact O-CB 3.47Å; L172-A176 PolarHBondContact O-N 3.45Å; S173-A176 PolarHBondContact O-N 2.91Å; A176-Y183 HydrophobicContact CB-CD2 4.33Å; A176-V186 HydrophobicContact CB-CB 4.3Å; A176-V186 HydrophobicContact CB-CG1 4.3Å; A176-V186 HydrophobicContact CB-CG2 4.17Å; A176-F223 HydrophobicContact CB-CE2 4.43Å; A176-V226 HydrophobicContact CB-CG1 3.88Å; A176-R230 PolarHBondContact O-NE 3.33Å; A176-R230 PolarHBondContact O-NH2 3.48Å |
| 177 | L | 89.6 | Confident | 92.7 | Very high | 11 Ų | 11 | 15.7 Ų | 15.7 | 6% | 0.058 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -78.5 | -23.2 | 176.5 | -74 | 172.8 | 0 | 0 | 0 | 113.6 | S173 S174 I175 V226 R230 L955 L959 | S173-L177 VanDerWaalsContact O-CB 3.28Å; S173-L177 WeakPolarHBondContact O-CB 3.49Å; S173-L177 VanDerWaalsContact O-CG 3.23Å; S173-L177 WeakPolarHBondContact O-CG 3.15Å; S173-L177 PolarHBondContact O-N 3.35Å; S174-L177 PolarHBondContact O-N 3.01Å; I175-L177 VanDerWaalsContact C-N 3.33Å; I175-L177 PolarHBondContact O-N 3.33Å; L177-V226 HydrophobicContact CD1-CG2 4.18Å; L177-V226 HydrophobicContact CD2-CG1 3.91Å; L177-V226 HydrophobicContact CD2-CG2 4.18Å; L177-V226 HydrophobicContact CG-CG1 3.95Å; L177-V226 HydrophobicContact CG-CG2 4.15Å; L177-R230 VanDerWaalsContact C-NH2 3.27Å; L177-R230 VanDerWaalsContact O-CZ 3.25Å; L177-R230 PolarHBondContact O-NH1 2.91Å; L177-R230 PolarHBondContact O-NH2 3.12Å; L177-L955 HydrophobicContact CB-CD2 4.19Å; L177-L959 HydrophobicContact CD1-CB 4.39Å; L177-L959 HydrophobicContact CD1-CD2 4.3Å |
| 178 | C | 88.7 | Confident | 92.4 | Very high | 4 Ų | 4 | 17.9 Ų | 17.9 | 3% | 0.027 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -58 | -61.5 | -176.4 | -177.9 | 0 | 0 | 0 | 0 | 113.2 | L140 V144 S174 I175 | L140-C178 HydrophobicContact CD2-CB 4.04Å; L140-C178 HydrophobicContact CG-CB 4.25Å; V144-C178 HydrophobicContact CG2-CB 4.05Å; S174-C178 WeakPolarHBondContact O-CB 3.44Å; S174-C178 PolarHBondContact O-N 2.96Å; I175-C178 WeakPolarHBondContact O-CB 3.45Å; I175-C178 PolarHBondContact O-N 3.45Å |
| 179 | N | 85.2 | Confident | 92.1 | Very high | 46 Ų | 46 | 17.9 Ų | 17.9 | 25% | 0.246 | 9% | 0.093 | C | C | . | . | trans | -154.9 | -174.8 | 178.1 | 65.5 | 20.4 | 0 | 0 | 0 | 111.2 | K181 G182 Y183 R230 | N179-K181 PolarHBondContact OD1-N 2.89Å; N179-G182 PolarHBondContact OD1-N 3.5Å; N179-Y183 PolarHBondContact O-N 3.12Å; N179-R230 VanDerWaalsContact C-NH2 3.31Å; N179-R230 PolarHBondContact O-NH2 3.48Å; N179-R230 VanDerWaalsContact O-NH2 3.09Å | ||
| 180 | A | 84.2 | Confident | 92 | Very high | 51 Ų | 51 | 18 Ų | 18 | 42% | 0.421 | 9% | 0.094 | S | C | . | . | H | α-helix | trans | -68.5 | -36.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | Y183 K184 C232 | A180-Y183 PolarHBondContact O-N 3.32Å; A180-K184 PolarHBondContact O-N 3.04Å; A180-C232 HydrophobicContact CB-CB 4.19Å |
| 181 | K | 85.8 | Confident | 91.7 | Very high | 93 Ų | 93 | 16.5 Ų | 16.5 | 40% | 0.404 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -61.8 | -46.8 | 175.2 | 179.1 | 179.6 | 174.1 | -178.1 | 0 | 111.3 | V144 D145 N179 Y183 K184 N185 | V144-K181 HydrophobicContact CG1-CB 4.15Å; V144-K181 HydrophobicContact CG1-CD 4.04Å; V144-K181 HydrophobicContact CG1-CG 3.97Å; D145-K181 IonicContact OD1-NZ 3.31Å; D145-K181 PolarHBondContact OD1-NZ 3.02Å; N179-K181 PolarHBondContact OD1-N 2.89Å; K181-Y183 VanDerWaalsContact C-N 3.34Å; K181-Y183 PolarHBondContact O-N 3.44Å; K181-K184 PolarHBondContact O-N 3.39Å; K181-N185 WeakPolarHBondContact O-CB 3.23Å; K181-N185 VanDerWaalsContact O-CG 3.23Å; K181-N185 PolarHBondContact O-N 3.19Å; K181-N185 PolarHBondContact O-OD1 3.38Å; K181-N185 VanDerWaalsContact O-OD1 3.11Å |
| 182 | G | 90.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.6 | -41.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I175 N179 N185 V186 | I175-G182 CarbonylContact O-C 3.57Å; I175-G182 WeakPolarHBondContact O-CA 3.26Å; N179-G182 PolarHBondContact OD1-N 3.5Å; G182-N185 PolarHBondContact O-N 3.36Å; G182-V186 WeakPolarHBondContact O-CB 3.4Å; G182-V186 VanDerWaalsContact O-CG2 3.27Å; G182-V186 WeakPolarHBondContact O-CG2 3.49Å; G182-V186 PolarHBondContact O-N 3.27Å |
| 183 | Y | 91.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.2 | -50 | 172.9 | -179.9 | -86.1 | 0 | 0 | 0 | 112.1 | A176 N179 A180 K181 V186 L187 L227 R230 C232 Y242 L246 | A176-Y183 HydrophobicContact CB-CD2 4.33Å; N179-Y183 PolarHBondContact O-N 3.12Å; A180-Y183 PolarHBondContact O-N 3.32Å; K181-Y183 VanDerWaalsContact C-N 3.34Å; K181-Y183 PolarHBondContact O-N 3.44Å; Y183-V186 PolarHBondContact O-N 3.16Å; Y183-L187 HydrophobicContact CD1-CD1 4.02Å; Y183-L187 HydrophobicContact CE1-CD1 3.39Å; Y183-L187 HydrophobicContact CE1-CG 4.36Å; Y183-L187 PolarHBondContact O-N 2.99Å; Y183-L227 PolarHBondContact OH-O 2.84Å; Y183-R230 HydrophobicContact CD2-CB 4.2Å; Y183-R230 HydrophobicContact CD2-CG 4.02Å; Y183-R230 HydrophobicContact CE2-CB 3.91Å; Y183-R230 HydrophobicContact CE2-CG 4.19Å; Y183-R230 PolarHBondContact OH-O 3.09Å; Y183-C232 HydrophobicContact CD1-CB 3.84Å; Y183-C232 HydrophobicContact CE1-CB 4.39Å; Y183-Y242 HydrophobicContact CE1-CE1 4.02Å; Y183-L246 WeakPolarHBondContact OH-CD1 3.23Å |
| 184 | K | 88.4 | Confident | 90.8 | Very high | 63 Ų | 63 | 21.7 Ų | 21.7 | 27% | 0.274 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -59.7 | -48.7 | 176.6 | 177.1 | 163.5 | 178.4 | 153.4 | 0 | 112 | A180 K181 V186 L187 E188 | A180-K184 PolarHBondContact O-N 3.04Å; K181-K184 PolarHBondContact O-N 3.39Å; K184-V186 PolarHBondContact O-N 3.23Å; K184-L187 PolarHBondContact O-N 2.99Å; K184-L187 VanDerWaalsContact O-N 3.13Å; K184-E188 WeakPolarHBondContact CE-OE1 3.23Å; K184-E188 HydrophobicContact CG-CG 4.5Å; K184-E188 IonicContact NZ-OE1 3.6Å; K184-E188 PolarHBondContact O-N 3.45Å |
| 185 | N | 91.8 | Very high | 90.4 | Very high | 21 Ų | 21 | 24.4 Ų | 24.4 | 11% | 0.112 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.8 | -31.1 | 179.8 | -70.3 | 17.4 | 0 | 0 | 0 | 112.3 | V144 T150 K181 G182 G189 | V144-N185 PolarHBondContact O-ND2 3.26Å; T150-N185 WeakPolarHBondContact CB-O 3.28Å; T150-N185 HydrophobicContact CG2-CB 4.06Å; T150-N185 PolarHBondContact OG1-O 3.31Å; K181-N185 WeakPolarHBondContact O-CB 3.23Å; K181-N185 VanDerWaalsContact O-CG 3.23Å; K181-N185 PolarHBondContact O-N 3.19Å; K181-N185 PolarHBondContact O-OD1 3.38Å; K181-N185 VanDerWaalsContact O-OD1 3.11Å; G182-N185 PolarHBondContact O-N 3.36Å; N185-G189 PolarHBondContact O-N 3.3Å |
| 186 | V | 95.1 | Very high | 90 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -69.5 | -42.2 | 175 | 163.2 | 0 | 0 | 0 | 0 | 111.6 | T150 L172 I175 A176 G182 Y183 K184 G189 L190 F223 L227 | T150-V186 HydrophobicContact CG2-CG2 3.81Å; L172-V186 HydrophobicContact CB-CG1 4.27Å; L172-V186 HydrophobicContact CB-CG2 4.47Å; L172-V186 HydrophobicContact CD2-CG1 4.34Å; L172-V186 HydrophobicContact CD2-CG2 4.06Å; I175-V186 HydrophobicContact CB-CG2 3.86Å; I175-V186 HydrophobicContact CG2-CG2 3.6Å; A176-V186 HydrophobicContact CB-CB 4.3Å; A176-V186 HydrophobicContact CB-CG1 4.3Å; A176-V186 HydrophobicContact CB-CG2 4.17Å; G182-V186 WeakPolarHBondContact O-CB 3.4Å; G182-V186 VanDerWaalsContact O-CG2 3.27Å; G182-V186 WeakPolarHBondContact O-CG2 3.49Å; G182-V186 PolarHBondContact O-N 3.27Å; Y183-V186 PolarHBondContact O-N 3.16Å; K184-V186 PolarHBondContact O-N 3.23Å; V186-G189 PolarHBondContact O-N 2.98Å; V186-L190 HydrophobicContact CG1-CD1 4.09Å; V186-L190 VanDerWaalsContact O-CG 3.32Å; V186-L190 WeakPolarHBondContact O-CG 3.1Å; V186-L190 PolarHBondContact O-N 3.2Å; V186-F223 HydrophobicContact CG1-CE2 3.98Å; V186-F223 HydrophobicContact CG1-CZ 3.61Å; V186-L227 HydrophobicContact CG1-CD2 4.17Å |
| 187 | L | 92.7 | Very high | 89.6 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.9 | -39.9 | 175.6 | -70 | 175.3 | 0 | 0 | 0 | 112.5 | Y183 K184 L190 T191 F204 L227 Y242 P363 | Y183-L187 HydrophobicContact CD1-CD1 4.02Å; Y183-L187 HydrophobicContact CE1-CD1 3.39Å; Y183-L187 HydrophobicContact CE1-CG 4.36Å; Y183-L187 PolarHBondContact O-N 2.99Å; K184-L187 PolarHBondContact O-N 2.99Å; K184-L187 VanDerWaalsContact O-N 3.13Å; L187-L190 PolarHBondContact O-N 2.9Å; L187-T191 WeakPolarHBondContact O-CB 3.21Å; L187-T191 PolarHBondContact O-N 3.42Å; L187-T191 PolarHBondContact O-OG1 3.2Å; L187-F204 HydrophobicContact CD2-CE1 3.75Å; L187-F204 HydrophobicContact CD2-CZ 3.72Å; L187-L227 HydrophobicContact CD2-CD2 3.92Å; L187-L227 HydrophobicContact CG-CD2 4.49Å; L187-Y242 WeakPolarHBondContact CD1-OH 3.1Å; L187-P363 HydrophobicContact CB-CG 4.09Å |
| 188 | E | 90.4 | Very high | 89.2 | Confident | 50 Ų | 50 | 31.1 Ų | 31.1 | 23% | 0.234 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.5 | -47.7 | 170.2 | -76.7 | 174.5 | -177.1 | 0 | 0 | 110.5 | K184 L190 T191 F192 P363 | K184-E188 WeakPolarHBondContact CE-OE1 3.23Å; K184-E188 HydrophobicContact CG-CG 4.5Å; K184-E188 IonicContact NZ-OE1 3.6Å; K184-E188 PolarHBondContact O-N 3.45Å; E188-L190 PolarHBondContact O-N 3.45Å; E188-T191 PolarHBondContact O-N 3.02Å; E188-T191 VanDerWaalsContact O-N 3.16Å; E188-F192 HydrophobicContact CB-CD2 4.3Å; E188-F192 HydrophobicContact CB-CE2 4.16Å; E188-F192 WeakPolarHBondContact O-CD2 3.49Å; E188-F192 PolarHBondContact O-N 3.5Å; E188-P363 HydrophobicContact CB-CB 4.45Å; E188-P363 HydrophobicContact CG-CB 3.56Å; E188-P363 HydrophobicContact CG-CG 3.96Å |
| 189 | G | 92.8 | Very high | 89 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61 | -40.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | A154 N185 V186 S193 | A154-G189 WeakPolarHBondContact CB-O 3.26Å; N185-G189 PolarHBondContact O-N 3.3Å; V186-G189 PolarHBondContact O-N 2.98Å; G189-S193 VanDerWaalsContact O-CB 3.22Å; G189-S193 WeakPolarHBondContact O-CB 3.49Å; G189-S193 PolarHBondContact O-N 2.86Å |
| 190 | L | 95.4 | Very high | 88.6 | Confident | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.8 | -43 | 173 | -73.2 | 165.6 | 0 | 0 | 0 | 111.5 | A154 L157 V186 L187 E188 S193 A194 F204 F223 L227 | A154-L190 HydrophobicContact CB-CD2 4.07Å; A154-L190 HydrophobicContact CB-CG 4.41Å; L157-L190 HydrophobicContact CD1-CD2 3.62Å; V186-L190 HydrophobicContact CG1-CD1 4.09Å; V186-L190 VanDerWaalsContact O-CG 3.32Å; V186-L190 WeakPolarHBondContact O-CG 3.1Å; V186-L190 PolarHBondContact O-N 3.2Å; L187-L190 PolarHBondContact O-N 2.9Å; E188-L190 PolarHBondContact O-N 3.45Å; L190-S193 PolarHBondContact O-N 2.86Å; L190-A194 WeakPolarHBondContact O-CB 3.49Å; L190-A194 PolarHBondContact O-N 3.32Å; L190-A194 VanDerWaalsContact O-N 3.1Å; L190-F204 HydrophobicContact CD1-CD1 4.07Å; L190-F204 HydrophobicContact CD1-CE1 3.85Å; L190-F223 HydrophobicContact CD1-CE1 4.37Å; L190-F223 HydrophobicContact CD1-CZ 4.15Å; L190-L227 HydrophobicContact CD1-CD1 4.01Å |
| 191 | T | 91 | Very high | 88.2 | Confident | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.018 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.2 | -50.2 | 178.1 | -54.1 | 0 | 0 | 0 | 0 | 110.9 | L187 E188 S193 A194 E195 R203 H364 | L187-T191 WeakPolarHBondContact O-CB 3.21Å; L187-T191 PolarHBondContact O-N 3.42Å; L187-T191 PolarHBondContact O-OG1 3.2Å; E188-T191 PolarHBondContact O-N 3.02Å; E188-T191 VanDerWaalsContact O-N 3.16Å; T191-S193 PolarHBondContact O-N 3.33Å; T191-A194 PolarHBondContact O-N 2.91Å; T191-E195 PolarHBondContact O-N 3Å; T191-R203 VanDerWaalsContact OG1-CD 3.28Å; T191-R203 WeakPolarHBondContact OG1-CD 3.29Å; T191-R203 PolarHBondContact OG1-NH1 3.08Å; T191-H364 HydrophobicContact CG2-CB 4.35Å |
| 192 | F | 90 | Very high | 88.3 | Confident | 101 Ų | 101 | 30.3 Ų | 30.3 | 44% | 0.443 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -64 | -36.6 | 176.5 | -72.3 | -56.6 | 0 | 0 | 0 | 113.2 | T151 E188 A194 E195 L196 | T151-F192 HydrophobicContact CG2-CB 3.73Å; E188-F192 HydrophobicContact CB-CD2 4.3Å; E188-F192 HydrophobicContact CB-CE2 4.16Å; E188-F192 WeakPolarHBondContact O-CD2 3.49Å; E188-F192 PolarHBondContact O-N 3.5Å; F192-A194 VanDerWaalsContact C-N 3.3Å; F192-A194 PolarHBondContact O-N 3.03Å; F192-E195 PolarHBondContact O-N 3.34Å; F192-L196 VanDerWaalsContact O-CG 3.29Å; F192-L196 WeakPolarHBondContact O-CG 3.49Å; F192-L196 PolarHBondContact O-N 3.48Å |
| 193 | S | 92 | Very high | 88.4 | Confident | 4 Ų | 4 | 30.4 Ų | 30.4 | 3% | 0.028 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.8 | -42.6 | 173.5 | -176.5 | 0 | 0 | 0 | 0 | 111.7 | K155 G189 L190 T191 L196 N197 | K155-S193 VanDerWaalsContact CA-OG 3.27Å; K155-S193 WeakPolarHBondContact CA-OG 3.39Å; K155-S193 PolarHBondContact N-OG 2.82Å; G189-S193 VanDerWaalsContact O-CB 3.22Å; G189-S193 WeakPolarHBondContact O-CB 3.49Å; G189-S193 PolarHBondContact O-N 2.86Å; L190-S193 PolarHBondContact O-N 2.86Å; T191-S193 PolarHBondContact O-N 3.33Å; S193-L196 PolarHBondContact O-N 3.02Å; S193-N197 PolarHBondContact O-N 2.83Å; S193-N197 PolarHBondContact O-ND2 3.25Å |
| 194 | A | 90.4 | Very high | 88.6 | Confident | 4 Ų | 4 | 30.4 Ų | 30.4 | 3% | 0.033 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -71.9 | -32.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L190 T191 F192 N197 G198 T199 R203 | L190-A194 WeakPolarHBondContact O-CB 3.49Å; L190-A194 PolarHBondContact O-N 3.32Å; L190-A194 VanDerWaalsContact O-N 3.1Å; T191-A194 PolarHBondContact O-N 2.91Å; F192-A194 VanDerWaalsContact C-N 3.3Å; F192-A194 PolarHBondContact O-N 3.03Å; A194-N197 PolarHBondContact O-N 2.77Å; A194-G198 PolarHBondContact O-N 3.41Å; A194-T199 WeakPolarHBondContact CB-O 3.44Å; A194-T199 CarbonylContact O-C 3.59Å; A194-T199 PolarHBondContact O-N 2.93Å; A194-R203 HydrophobicContact CB-CB 4.02Å |
| 195 | E | 85.6 | Confident | 89 | Confident | 56 Ų | 56 | 29 Ų | 29 | 26% | 0.262 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -62.1 | -44.4 | 167.8 | -73.8 | -164 | -176.2 | 0 | 0 | 112.7 | T191 F192 N197 G198 P200 R1008 | T191-E195 PolarHBondContact O-N 3Å; F192-E195 PolarHBondContact O-N 3.34Å; E195-N197 PolarHBondContact O-N 3.45Å; E195-G198 PolarHBondContact O-N 3.49Å; E195-P200 HydrophobicContact CG-CB 4.02Å; E195-R1008 IonicContact OE1-CZ 2.88Å; E195-R1008 IonicContact OE1-NH1 2.77Å; E195-R1008 IonicContact OE1-NH2 3.44Å; E195-R1008 PolarHBondContact OE1-NH2 3.34Å; E195-R1008 IonicContact OE2-CZ 2.7Å; E195-R1008 IonicContact OE2-NH1 3.82Å; E195-R1008 PolarHBondContact OE2-NH1 2.93Å; E195-R1008 IonicContact OE2-NH2 3.4Å; E195-R1008 PolarHBondContact OE2-NH2 3.17Å |
| 196 | L | 85.5 | Confident | 89.2 | Confident | 45 Ų | 45 | 28.9 Ų | 28.9 | 24% | 0.236 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.3 | -25.5 | 176.2 | -70.5 | 165.5 | 0 | 0 | 0 | 112.4 | T151 F192 S193 R1015 V1017 V1020 | T151-L196 HydrophobicContact CG2-CD1 3.94Å; F192-L196 VanDerWaalsContact O-CG 3.29Å; F192-L196 WeakPolarHBondContact O-CG 3.49Å; F192-L196 PolarHBondContact O-N 3.48Å; S193-L196 PolarHBondContact O-N 3.02Å; L196-R1015 WeakPolarHBondContact CD2-O 3.35Å; L196-V1017 HydrophobicContact CD1-CG2 4.36Å; L196-V1017 HydrophobicContact CD2-CG2 4.12Å; L196-V1020 HydrophobicContact CD2-CG2 4.44Å |
| 197 | N | 85.3 | Confident | 89.4 | Confident | 63 Ų | 63 | 28.9 Ų | 28.9 | 34% | 0.337 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -9.3 | 171.5 | -69.6 | -29.7 | 0 | 0 | 0 | 114 | K155 D158 S193 A194 E195 T199 | K155-N197 VanDerWaalsContact CE-OD1 3.23Å; K155-N197 WeakPolarHBondContact CE-OD1 3.36Å; K155-N197 PolarHBondContact NZ-OD1 3.09Å; D158-N197 VanDerWaalsContact CG-ND2 3.26Å; D158-N197 PolarHBondContact OD1-ND2 3.19Å; D158-N197 PolarHBondContact OD2-ND2 3.42Å; S193-N197 PolarHBondContact O-N 2.83Å; S193-N197 PolarHBondContact O-ND2 3.25Å; A194-N197 PolarHBondContact O-N 2.77Å; E195-N197 PolarHBondContact O-N 3.45Å; N197-T199 VanDerWaalsContact C-N 3.34Å |
| 198 | G | 82.2 | Confident | 89.6 | Confident | 45 Ų | 45 | 28.9 Ų | 28.9 | 46% | 0.464 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 19.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | A194 E195 | A194-G198 PolarHBondContact O-N 3.41Å; E195-G198 PolarHBondContact O-N 3.49Å |
| 199 | T | 84.5 | Confident | 89.8 | Confident | 39 Ų | 39 | 32.3 Ų | 32.3 | 24% | 0.239 | 17% | 0.173 | C | C | . | . | trans | -132.8 | 57.6 | -176.2 | 59.6 | 0 | 0 | 0 | 0 | 111.9 | A194 N197 D201 E202 | A194-T199 WeakPolarHBondContact CB-O 3.44Å; A194-T199 CarbonylContact O-C 3.59Å; A194-T199 PolarHBondContact O-N 2.93Å; N197-T199 VanDerWaalsContact C-N 3.34Å; T199-D201 VanDerWaalsContact C-N 3.27Å; T199-D201 PolarHBondContact O-N 3.18Å; T199-D201 VanDerWaalsContact O-N 3.16Å; T199-E202 WeakPolarHBondContact O-CB 3.33Å; T199-E202 PolarHBondContact O-N 3.11Å | ||
| 200 | P | 76.7 | Confident | 90 | Very high | 29 Ų | 29 | 32.6 Ų | 32.6 | 19% | 0.188 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -55.4 | -34.1 | -174 | 18.6 | -31.6 | 0 | 0 | 0 | 115.1 | E195 E202 | E195-P200 HydrophobicContact CG-CB 4.02Å; P200-E202 PolarHBondContact O-N 3.26Å |
| 201 | D | 75.6 | Confident | 90.1 | Very high | 47 Ų | 47 | 32.6 Ų | 32.6 | 25% | 0.251 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -70.5 | -8 | 177.3 | -50 | -29.8 | 0 | 0 | 0 | 113.5 | T199 H364 R1004 | T199-D201 VanDerWaalsContact C-N 3.27Å; T199-D201 PolarHBondContact O-N 3.18Å; T199-D201 VanDerWaalsContact O-N 3.16Å; D201-H364 IonicContact OD1-CE1 3.54Å; D201-H364 IonicContact OD1-NE2 3.43Å; D201-H364 PolarHBondContact OD1-NE2 3.46Å; D201-R1004 IonicContact OD1-CZ 3.9Å; D201-R1004 IonicContact OD1-NH1 2.67Å; D201-R1004 PolarHBondContact OD1-NH1 2.74Å; D201-R1004 IonicContact OD1-NH2 2.69Å; D201-R1004 PolarHBondContact OD1-NH2 2.82Å; D201-R1004 IonicContact OD2-CZ 2.66Å; D201-R1004 IonicContact OD2-NH1 3.64Å; D201-R1004 PolarHBondContact OD2-NH1 2.84Å; D201-R1004 IonicContact OD2-NH2 3.43Å |
| 202 | E | 87.8 | Confident | 90.3 | Very high | 61 Ų | 61 | 36.6 Ų | 36.6 | 29% | 0.285 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -107.7 | 26.7 | -176.6 | -71.2 | -167.8 | -163.1 | 0 | 0 | 111.5 | T199 P200 F204 M205 P206 L253 | T199-E202 WeakPolarHBondContact O-CB 3.33Å; T199-E202 PolarHBondContact O-N 3.11Å; P200-E202 PolarHBondContact O-N 3.26Å; E202-F204 PolarHBondContact O-N 2.56Å; E202-F204 VanDerWaalsContact O-N 3.08Å; E202-M205 HydrophobicContact CB-CB 3.61Å; E202-M205 HydrophobicContact CB-CG 4.33Å; E202-M205 HydrophobicContact CG-CB 4.2Å; E202-M205 HydrophobicContact CG-CE 3.98Å; E202-M205 WeakPolarHBondContact O-CB 3.4Å; E202-M205 PolarHBondContact O-N 2.82Å; E202-M205 WeakPolarHBondContact OE2-CG 3.09Å; E202-P206 WeakPolarHBondContact O-CD 3.03Å; E202-L253 HydrophobicContact CG-CD2 4.47Å |
| 203 | R | 91.8 | Very high | 90.5 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.008 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -29.3 | -177.1 | 65.8 | 173.6 | 177.6 | -168.5 | -5.9 | 115.4 | T191 A194 E249 D362 | T191-R203 VanDerWaalsContact OG1-CD 3.28Å; T191-R203 WeakPolarHBondContact OG1-CD 3.29Å; T191-R203 PolarHBondContact OG1-NH1 3.08Å; A194-R203 HydrophobicContact CB-CB 4.02Å; R203-E249 VanDerWaalsContact CG-OE1 3.27Å; R203-E249 WeakPolarHBondContact CG-OE1 3.3Å; R203-E249 IonicContact CZ-OE1 2.75Å; R203-E249 IonicContact CZ-OE2 3.83Å; R203-E249 VanDerWaalsContact CZ-OE2 3.29Å; R203-E249 VanDerWaalsContact NE-CD 3.33Å; R203-E249 IonicContact NE-OE1 3.17Å; R203-E249 PolarHBondContact NE-OE1 3.43Å; R203-E249 IonicContact NE-OE2 3.89Å; R203-E249 PolarHBondContact NE-OE2 2.75Å; R203-E249 IonicContact NH2-OE1 3.35Å; R203-E249 IonicContact NH2-OE2 2.8Å; R203-E249 PolarHBondContact NH2-OE2 3.49Å; R203-D362 IonicContact CZ-OD1 2.76Å; R203-D362 VanDerWaalsContact CZ-OD1 3.28Å; R203-D362 IonicContact CZ-OD2 2.72Å; R203-D362 IonicContact NH1-OD1 2.72Å; R203-D362 PolarHBondContact NH1-OD1 2.68Å; R203-D362 IonicContact NH1-OD2 2.93Å; R203-D362 VanDerWaalsContact NH2-CG 3.27Å; R203-D362 IonicContact NH2-OD1 3.19Å; R203-D362 PolarHBondContact NH2-OD1 3.48Å; R203-D362 IonicContact NH2-OD2 3.14Å; R203-D362 PolarHBondContact NH2-OD2 3.09Å |
| 204 | F | 96.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -1.3 | 174.6 | -55.1 | -40.4 | 0 | 0 | 0 | 114.2 | L187 L190 E202 P206 L207 V208 L227 L246 E249 F250 L253 | L187-F204 HydrophobicContact CD2-CE1 3.75Å; L187-F204 HydrophobicContact CD2-CZ 3.72Å; L190-F204 HydrophobicContact CD1-CD1 4.07Å; L190-F204 HydrophobicContact CD1-CE1 3.85Å; E202-F204 PolarHBondContact O-N 2.56Å; E202-F204 VanDerWaalsContact O-N 3.08Å; F204-P206 VanDerWaalsContact C-CD 3.46Å; F204-L207 WeakPolarHBondContact O-CB 3.42Å; F204-L207 PolarHBondContact O-N 3.21Å; F204-V208 PolarHBondContact O-N 3.38Å; F204-L227 HydrophobicContact CD1-CD1 4.24Å; F204-L227 HydrophobicContact CE1-CD1 4.02Å; F204-L246 HydrophobicContact CE2-CD2 3.97Å; F204-L246 HydrophobicContact CZ-CD2 3.95Å; F204-E249 HydrophobicContact CD2-CG 4.23Å; F204-E249 HydrophobicContact CE2-CB 4.5Å; F204-E249 HydrophobicContact CE2-CG 4.39Å; F204-E249 WeakPolarHBondContact CE2-OE2 3.36Å; F204-F250 HydrophobicContact CB-CD1 4.03Å; F204-F250 HydrophobicContact CB-CE1 3.46Å; F204-F250 VanDerWaalsContact CB-CE1 3.46Å; F204-F250 HydrophobicContact CB-CE2 4.4Å; F204-F250 HydrophobicContact CB-CZ 3.66Å; F204-F250 HydrophobicContact CD1-CE2 4.43Å; F204-F250 AromaticContact CD1-CZ 3.97Å; F204-F250 HydrophobicContact CD1-CZ 3.97Å; F204-F250 HydrophobicContact CD2-CD1 4.42Å; F204-F250 AromaticContact CD2-CD2 3.91Å; F204-F250 HydrophobicContact CD2-CD2 3.91Å; F204-F250 HydrophobicContact CD2-CE1 4.13Å; F204-F250 AromaticContact CD2-CE2 3.55Å; F204-F250 HydrophobicContact CD2-CE2 3.55Å; F204-F250 HydrophobicContact CD2-CG 4.32Å; F204-F250 AromaticContact CD2-CZ 3.67Å; F204-F250 HydrophobicContact CD2-CZ 3.67Å; F204-F250 HydrophobicContact CE2-CD2 4.26Å; F204-F250 AromaticContact CE2-CE2 3.81Å; F204-F250 HydrophobicContact CE2-CE2 3.81Å; F204-F250 HydrophobicContact CE2-CZ 4.27Å; F204-F250 HydrophobicContact CG-CD1 4.5Å; F204-F250 AromaticContact CG-CE1 3.86Å; F204-F250 HydrophobicContact CG-CE1 3.86Å; F204-F250 AromaticContact CG-CE2 3.89Å; F204-F250 HydrophobicContact CG-CE2 3.89Å; F204-F250 AromaticContact CG-CZ 3.5Å; F204-F250 HydrophobicContact CG-CZ 3.5Å; F204-F250 VanDerWaalsContact CG-CZ 3.5Å; F204-F250 HydrophobicContact CZ-CE2 4.38Å; F204-L253 HydrophobicContact CB-CD1 3.79Å |
| 205 | M | 96.1 | Very high | 90.6 | Very high | 33 Ų | 33 | 43.6 Ų | 43.6 | 16% | 0.163 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.2 | -36.8 | -179.4 | -176.7 | 67.5 | 80.6 | 0 | 0 | 113.7 | E202 L207 V208 K209 L253 | E202-M205 HydrophobicContact CB-CB 3.61Å; E202-M205 HydrophobicContact CB-CG 4.33Å; E202-M205 HydrophobicContact CG-CB 4.2Å; E202-M205 HydrophobicContact CG-CE 3.98Å; E202-M205 WeakPolarHBondContact O-CB 3.4Å; E202-M205 PolarHBondContact O-N 2.82Å; E202-M205 WeakPolarHBondContact OE2-CG 3.09Å; M205-L207 PolarHBondContact O-N 3.47Å; M205-V208 PolarHBondContact O-N 2.95Å; M205-K209 HydrophobicContact CG-CD 3.87Å; M205-K209 HydrophobicContact CG-CG 4.19Å; M205-K209 WeakPolarHBondContact O-CB 3.31Å; M205-K209 WeakPolarHBondContact O-CG 3.13Å; M205-K209 PolarHBondContact O-N 2.97Å; M205-K209 HydrophobicContact SD-CD 4.34Å; M205-K209 HydrophobicContact SD-CG 4.13Å; M205-L253 HydrophobicContact CB-CD1 4.4Å; M205-L253 HydrophobicContact CE-CD2 3.88Å |
| 206 | P | 96.7 | Very high | 91.1 | Very high | 19 Ų | 19 | 41.1 Ų | 41.1 | 12% | 0.123 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.8 | -38.5 | 173.6 | -26.1 | 36.4 | 0 | 0 | 0 | 112.4 | L157 D158 E202 F204 A210 | L157-P206 HydrophobicContact CB-CB 3.64Å; L157-P206 HydrophobicContact CB-CG 4.47Å; L157-P206 HydrophobicContact CD1-CB 4.49Å; D158-P206 WeakPolarHBondContact OD1-CG 3.37Å; E202-P206 WeakPolarHBondContact O-CD 3.03Å; F204-P206 VanDerWaalsContact C-CD 3.46Å; P206-A210 WeakPolarHBondContact O-CB 3.3Å; P206-A210 PolarHBondContact O-N 3.2Å |
| 207 | L | 97.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.7 | -45 | 176.9 | -55 | -179.6 | 0 | 0 | 0 | 111.5 | L157 I169 F204 M205 K209 A210 L211 S220 F223 I224 L227 F250 | L157-L207 HydrophobicContact CD1-CD2 3.89Å; L157-L207 HydrophobicContact CD2-CD2 4.29Å; I169-L207 HydrophobicContact CD1-CD2 4.43Å; I169-L207 HydrophobicContact CG1-CD2 4.26Å; F204-L207 WeakPolarHBondContact O-CB 3.42Å; F204-L207 PolarHBondContact O-N 3.21Å; M205-L207 PolarHBondContact O-N 3.47Å; L207-K209 VanDerWaalsContact C-N 3.32Å; L207-K209 PolarHBondContact O-N 3.29Å; L207-A210 WeakPolarHBondContact O-CB 3.1Å; L207-A210 PolarHBondContact O-N 2.99Å; L207-A210 VanDerWaalsContact O-N 3.15Å; L207-L211 PolarHBondContact O-N 2.95Å; L207-S220 WeakPolarHBondContact CA-OG 3.47Å; L207-S220 PolarHBondContact O-OG 2.92Å; L207-F223 HydrophobicContact CD1-CD1 3.66Å; L207-F223 HydrophobicContact CD1-CE1 3.7Å; L207-F223 HydrophobicContact CD2-CD1 3.64Å; L207-F223 HydrophobicContact CD2-CE1 3.96Å; L207-F223 HydrophobicContact CG-CD1 4.31Å; L207-F223 HydrophobicContact CG-CE1 4.45Å; L207-I224 HydrophobicContact CB-CD1 4.09Å; L207-I224 HydrophobicContact CB-CG1 4.08Å; L207-I224 HydrophobicContact CD1-CG1 4.2Å; L207-L227 HydrophobicContact CD1-CD1 3.8Å; L207-F250 HydrophobicContact CD1-CZ 4.4Å |
| 208 | V | 97.2 | Very high | 92.1 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.3 | -34.8 | 178.6 | -179.4 | 0 | 0 | 0 | 0 | 112 | F204 M205 L211 F250 L253 K258 | F204-V208 PolarHBondContact O-N 3.38Å; M205-V208 PolarHBondContact O-N 2.95Å; V208-L211 WeakPolarHBondContact O-CB 3.45Å; V208-L211 PolarHBondContact O-N 2.94Å; V208-F250 HydrophobicContact CG2-CD1 3.78Å; V208-F250 HydrophobicContact CG2-CE1 4.13Å; V208-L253 HydrophobicContact CG2-CB 4.08Å; V208-L253 HydrophobicContact CG2-CD1 4.37Å; V208-K258 HydrophobicContact CG1-CG 3.96Å |
| 209 | K | 95.5 | Very high | 92.7 | Very high | 122 Ų | 122 | 37.4 Ų | 37.4 | 53% | 0.53 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -67.8 | -40.8 | 170.6 | -74.1 | 170.6 | -179.8 | 159 | 0 | 111.8 | M205 L207 L211 D212 | M205-K209 HydrophobicContact CG-CD 3.87Å; M205-K209 HydrophobicContact CG-CG 4.19Å; M205-K209 WeakPolarHBondContact O-CB 3.31Å; M205-K209 WeakPolarHBondContact O-CG 3.13Å; M205-K209 PolarHBondContact O-N 2.97Å; M205-K209 HydrophobicContact SD-CD 4.34Å; M205-K209 HydrophobicContact SD-CG 4.13Å; L207-K209 VanDerWaalsContact C-N 3.32Å; L207-K209 PolarHBondContact O-N 3.29Å; K209-L211 PolarHBondContact O-N 2.77Å; K209-L211 VanDerWaalsContact O-N 3.15Å; K209-D212 PolarHBondContact O-N 2.89Å |
| 210 | A | 96.6 | Very high | 93.4 | Very high | 7 Ų | 7 | 35.5 Ų | 35.5 | 6% | 0.058 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.3 | -21.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | V165 P206 L207 D212 C213 V216 A217 | V165-A210 HydrophobicContact CG1-CB 4.47Å; P206-A210 WeakPolarHBondContact O-CB 3.3Å; P206-A210 PolarHBondContact O-N 3.2Å; L207-A210 WeakPolarHBondContact O-CB 3.1Å; L207-A210 PolarHBondContact O-N 2.99Å; L207-A210 VanDerWaalsContact O-N 3.15Å; A210-D212 VanDerWaalsContact C-N 3.27Å; A210-D212 PolarHBondContact O-N 3.38Å; A210-C213 PolarHBondContact O-N 2.99Å; A210-C213 VanDerWaalsContact O-N 3.15Å; A210-V216 HydrophobicContact CB-CG2 3.9Å; A210-A217 WeakPolarHBondContact O-CA 3.12Å; A210-A217 PolarHBondContact O-N 3.25Å |
| 211 | L | 97.3 | Very high | 94.3 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -22.4 | 172.2 | -63.6 | 176.5 | 0 | 0 | 0 | 114 | L207 V208 K209 C213 L221 I224 I255 K258 L262 | L207-L211 PolarHBondContact O-N 2.95Å; V208-L211 WeakPolarHBondContact O-CB 3.45Å; V208-L211 PolarHBondContact O-N 2.94Å; K209-L211 PolarHBondContact O-N 2.77Å; K209-L211 VanDerWaalsContact O-N 3.15Å; L211-C213 VanDerWaalsContact C-N 3.33Å; L211-L221 HydrophobicContact CD2-CB 3.82Å; L211-L221 HydrophobicContact CD2-CD1 4.43Å; L211-I224 HydrophobicContact CD1-CD1 3.96Å; L211-I224 HydrophobicContact CD2-CD1 4.29Å; L211-I224 HydrophobicContact CG-CD1 4.27Å; L211-I255 HydrophobicContact CD1-CD1 4.31Å; L211-I255 HydrophobicContact CD1-CG1 3.83Å; L211-K258 HydrophobicContact CB-CB 3.88Å; L211-K258 HydrophobicContact CB-CG 4.26Å; L211-K258 HydrophobicContact CD1-CB 3.75Å; L211-K258 HydrophobicContact CD1-CG 4.21Å; L211-K258 HydrophobicContact CG-CB 4.49Å; L211-L262 HydrophobicContact CB-CD1 4.08Å; L211-L262 HydrophobicContact CD2-CD1 3.96Å |
| 212 | D | 94.5 | Very high | 95.3 | Very high | 86 Ų | 86 | 32.2 Ų | 32.2 | 46% | 0.46 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -12.2 | 173.1 | -67.2 | -49.2 | 0 | 0 | 0 | 112.7 | K209 A210 P214 K258 | K209-D212 PolarHBondContact O-N 2.89Å; A210-D212 VanDerWaalsContact C-N 3.27Å; A210-D212 PolarHBondContact O-N 3.38Å; D212-P214 WeakPolarHBondContact O-CD 3.04Å; D212-K258 VanDerWaalsContact CG-NZ 3.3Å; D212-K258 WeakPolarHBondContact OD1-CD 3.39Å; D212-K258 IonicContact OD1-NZ 2.63Å; D212-K258 PolarHBondContact OD1-NZ 2.95Å; D212-K258 WeakPolarHBondContact OD2-CE 3.39Å; D212-K258 IonicContact OD2-NZ 2.72Å; D212-K258 PolarHBondContact OD2-NZ 3.11Å |
| 213 | C | 94.4 | Very high | 95.7 | Very high | 36 Ų | 36 | 29.3 Ų | 29.3 | 24% | 0.243 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -99.7 | 107.5 | -175.6 | -170.4 | 0 | 0 | 0 | 0 | 110.3 | A210 L211 E215 V216 A217 | A210-C213 PolarHBondContact O-N 2.99Å; A210-C213 VanDerWaalsContact O-N 3.15Å; L211-C213 VanDerWaalsContact C-N 3.33Å; C213-E215 PolarHBondContact O-N 2.86Å; C213-E215 PolarHBondContact SG-OE2 3.41Å; C213-V216 HydrophobicContact CB-CG2 3.65Å; C213-V216 PolarHBondContact O-N 2.84Å; C213-A217 WeakPolarHBondContact O-CB 3.15Å; C213-A217 PolarHBondContact O-N 2.5Å |
| 214 | P | 92.6 | Very high | 95.9 | Very high | 101 Ų | 101 | 29.2 Ų | 29.2 | 66% | 0.656 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -30 | -171 | -27.6 | 36.2 | 0 | 0 | 0 | 115.2 | D212 V216 | D212-P214 WeakPolarHBondContact O-CD 3.04Å; P214-V216 VanDerWaalsContact C-N 3.35Å |
| 215 | E | 93.6 | Very high | 95.9 | Very high | 119 Ų | 119 | 29.2 Ų | 29.2 | 56% | 0.556 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -35 | 179.5 | -63 | 77.5 | -173.4 | 0 | 0 | 112.7 | C213 | C213-E215 PolarHBondContact O-N 2.86Å; C213-E215 PolarHBondContact SG-OE2 3.41Å |
| 216 | V | 95.7 | Very high | 95.8 | Very high | 4 Ų | 4 | 27.7 Ų | 27.7 | 2% | 0.024 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120 | -7.8 | -172.8 | -66.3 | 0 | 0 | 0 | 0 | 114.4 | S162 D166 A210 C213 P214 R218 A219 S220 | S162-V216 WeakPolarHBondContact O-CG1 3.44Å; D166-V216 HydrophobicContact CB-CG1 3.86Å; A210-V216 HydrophobicContact CB-CG2 3.9Å; C213-V216 HydrophobicContact CB-CG2 3.65Å; C213-V216 PolarHBondContact O-N 2.84Å; P214-V216 VanDerWaalsContact C-N 3.35Å; V216-R218 PolarHBondContact O-N 2.99Å; V216-R218 VanDerWaalsContact O-N 3.16Å; V216-A219 PolarHBondContact O-N 2.93Å; V216-S220 PolarHBondContact O-N 3.02Å |
| 217 | A | 96.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -54.3 | -38.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A210 C213 L221 L262 | A210-A217 WeakPolarHBondContact O-CA 3.12Å; A210-A217 PolarHBondContact O-N 3.25Å; C213-A217 WeakPolarHBondContact O-CB 3.15Å; C213-A217 PolarHBondContact O-N 2.5Å; A217-L221 VanDerWaalsContact O-CB 3.3Å; A217-L221 WeakPolarHBondContact O-CB 3.39Å; A217-L221 PolarHBondContact O-N 2.97Å; A217-L262 HydrophobicContact CB-CD1 4.37Å; A217-L262 HydrophobicContact CB-CD2 4.06Å |
| 218 | R | 95.4 | Very high | 95.4 | Very high | 70 Ų | 70 | 26.8 Ų | 26.8 | 26% | 0.264 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -63.9 | -49.5 | 175.2 | -169.7 | -159.6 | -47.4 | 91.1 | 15 | 112.2 | V216 L221 Q222 D267 D269 I270 | V216-R218 PolarHBondContact O-N 2.99Å; V216-R218 VanDerWaalsContact O-N 3.16Å; R218-L221 PolarHBondContact O-N 2.72Å; R218-Q222 WeakPolarHBondContact O-CB 3.26Å; R218-Q222 WeakPolarHBondContact O-CG 3.33Å; R218-Q222 PolarHBondContact O-N 2.89Å; R218-D267 IonicContact CZ-OD2 2.82Å; R218-D267 IonicContact NE-OD1 2.84Å; R218-D267 IonicContact NE-OD2 3.75Å; R218-D267 PolarHBondContact NE-OD2 3.35Å; R218-D267 IonicContact NH2-OD2 3.82Å; R218-D267 PolarHBondContact NH2-OD2 2.79Å; R218-D269 HydrophobicContact CG-CB 4.2Å; R218-I270 HydrophobicContact CB-CD1 4.05Å; R218-I270 HydrophobicContact CB-CG1 3.76Å; R218-I270 HydrophobicContact CG-CG1 3.92Å |
| 219 | A | 95.6 | Very high | 94.9 | Very high | 5 Ų | 5 | 28 Ų | 28 | 4% | 0.041 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.2 | -43.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | I169 V216 Q222 F223 | I169-A219 HydrophobicContact CB-CB 4.45Å; I169-A219 HydrophobicContact CD1-CB 4.42Å; I169-A219 HydrophobicContact CG2-CB 3.89Å; I169-A219 VanDerWaalsContact CG2-O 3.3Å; I169-A219 WeakPolarHBondContact CG2-O 3.32Å; V216-A219 PolarHBondContact O-N 2.93Å; A219-Q222 WeakPolarHBondContact O-CB 3.48Å; A219-Q222 PolarHBondContact O-N 3.5Å; A219-F223 PolarHBondContact O-N 3.23Å |
| 220 | S | 97.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59 | -49.4 | 174.5 | -177 | 0 | 0 | 0 | 0 | 111.4 | L207 V216 Q222 F223 I224 | L207-S220 WeakPolarHBondContact CA-OG 3.47Å; L207-S220 PolarHBondContact O-OG 2.92Å; V216-S220 PolarHBondContact O-N 3.02Å; S220-Q222 VanDerWaalsContact C-N 3.31Å; S220-Q222 PolarHBondContact O-N 3.37Å; S220-F223 PolarHBondContact O-N 3.12Å; S220-I224 VanDerWaalsContact O-CG1 3.23Å; S220-I224 WeakPolarHBondContact O-CG1 3.35Å; S220-I224 PolarHBondContact O-N 3.42Å |
| 221 | L | 97.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.4 | -32.7 | 179.3 | -172.2 | 60.3 | 0 | 0 | 0 | 113.3 | L211 A217 R218 N225 L259 I270 H273 I274 | L211-L221 HydrophobicContact CD2-CB 3.82Å; L211-L221 HydrophobicContact CD2-CD1 4.43Å; A217-L221 VanDerWaalsContact O-CB 3.3Å; A217-L221 WeakPolarHBondContact O-CB 3.39Å; A217-L221 PolarHBondContact O-N 2.97Å; R218-L221 PolarHBondContact O-N 2.72Å; L221-N225 WeakPolarHBondContact O-CB 3.35Å; L221-N225 PolarHBondContact O-N 3.37Å; L221-N225 VanDerWaalsContact O-N 3.12Å; L221-N225 PolarHBondContact O-ND2 3.12Å; L221-L259 HydrophobicContact CD1-CD2 3.5Å; L221-L259 VanDerWaalsContact CD1-CD2 3.5Å; L221-L259 HydrophobicContact CD2-CD2 4.39Å; L221-I270 HydrophobicContact CD2-CG2 4.23Å; L221-H273 HydrophobicContact CD2-CB 3.74Å; L221-H273 HydrophobicContact CG-CB 3.82Å; L221-I274 HydrophobicContact CD2-CG1 3.73Å |
| 222 | Q | 95 | Very high | 91.1 | Very high | 7 Ų | 7 | 26.8 Ų | 26.8 | 3% | 0.033 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.1 | -50.8 | 170.5 | -84.9 | 164 | -1.8 | 0 | 0 | 111.3 | R218 A219 S220 N225 V226 H273 L959 | R218-Q222 WeakPolarHBondContact O-CB 3.26Å; R218-Q222 WeakPolarHBondContact O-CG 3.33Å; R218-Q222 PolarHBondContact O-N 2.89Å; A219-Q222 WeakPolarHBondContact O-CB 3.48Å; A219-Q222 PolarHBondContact O-N 3.5Å; S220-Q222 VanDerWaalsContact C-N 3.31Å; S220-Q222 PolarHBondContact O-N 3.37Å; Q222-N225 WeakPolarHBondContact O-CB 3.2Å; Q222-N225 PolarHBondContact O-N 2.8Å; Q222-V226 PolarHBondContact O-N 2.97Å; Q222-H273 VanDerWaalsContact CG-CD2 3.5Å; Q222-H273 WeakPolarHBondContact CG-CD2 3.35Å; Q222-H273 WeakPolarHBondContact CG-NE2 3.34Å; Q222-H273 PolarHBondContact NE2-NE2 3.19Å; Q222-L959 HydrophobicContact CB-CD1 4.32Å; Q222-L959 HydrophobicContact CB-CD2 4.04Å; Q222-L959 HydrophobicContact CB-CG 4Å; Q222-L959 HydrophobicContact CG-CG 4.23Å |
| 223 | F | 97 | Very high | 89.2 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.6 | -39.2 | -178.9 | -178.4 | -141.6 | 0 | 0 | 0 | 112.8 | I169 L172 S173 A176 V186 L190 L207 A219 S220 N225 V226 L227 | I169-F223 HydrophobicContact CG2-CB 3.64Å; I169-F223 HydrophobicContact CG2-CD1 4.21Å; I169-F223 HydrophobicContact CG2-CG 4.17Å; L172-F223 HydrophobicContact CB-CE1 3.87Å; L172-F223 HydrophobicContact CB-CE2 3.92Å; L172-F223 HydrophobicContact CB-CZ 3.46Å; L172-F223 VanDerWaalsContact CB-CZ 3.46Å; L172-F223 HydrophobicContact CD1-CE1 4.02Å; L172-F223 HydrophobicContact CD1-CZ 4.23Å; L172-F223 HydrophobicContact CG-CZ 4.43Å; S173-F223 WeakPolarHBondContact OG-CB 3.27Å; S173-F223 VanDerWaalsContact OG-CD2 3.26Å; S173-F223 WeakPolarHBondContact OG-CD2 3.34Å; S173-F223 WeakPolarHBondContact OG-CG 3.42Å; A176-F223 HydrophobicContact CB-CE2 4.43Å; V186-F223 HydrophobicContact CG1-CE2 3.98Å; V186-F223 HydrophobicContact CG1-CZ 3.61Å; L190-F223 HydrophobicContact CD1-CE1 4.37Å; L190-F223 HydrophobicContact CD1-CZ 4.15Å; L207-F223 HydrophobicContact CD1-CD1 3.66Å; L207-F223 HydrophobicContact CD1-CE1 3.7Å; L207-F223 HydrophobicContact CD2-CD1 3.64Å; L207-F223 HydrophobicContact CD2-CE1 3.96Å; L207-F223 HydrophobicContact CG-CD1 4.31Å; L207-F223 HydrophobicContact CG-CE1 4.45Å; A219-F223 PolarHBondContact O-N 3.23Å; S220-F223 PolarHBondContact O-N 3.12Å; F223-N225 VanDerWaalsContact C-N 3.25Å; F223-N225 PolarHBondContact O-N 3.49Å; F223-V226 HydrophobicContact CD2-CB 4.32Å; F223-V226 WeakPolarHBondContact O-CA 3.4Å; F223-V226 WeakPolarHBondContact O-CB 3.39Å; F223-V226 PolarHBondContact O-N 3.12Å; F223-L227 HydrophobicContact CD2-CG 4.2Å; F223-L227 HydrophobicContact CE1-CD1 4.16Å; F223-L227 HydrophobicContact CE2-CD1 4.16Å; F223-L227 HydrophobicContact CE2-CD2 3.74Å; F223-L227 HydrophobicContact CE2-CG 3.86Å; F223-L227 HydrophobicContact CZ-CD1 3.93Å; F223-L227 HydrophobicContact CZ-CD2 3.99Å; F223-L227 HydrophobicContact CZ-CG 4.12Å; F223-L227 WeakPolarHBondContact O-CG 3.49Å; F223-L227 PolarHBondContact O-N 3.25Å |
| 224 | I | 97.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -55.9 | -43.9 | 170.8 | -67.6 | 169 | 0 | 0 | 0 | 110.2 | L207 L211 S220 V226 L227 V228 F250 I255 Y277 | L207-I224 HydrophobicContact CB-CD1 4.09Å; L207-I224 HydrophobicContact CB-CG1 4.08Å; L207-I224 HydrophobicContact CD1-CG1 4.2Å; L211-I224 HydrophobicContact CD1-CD1 3.96Å; L211-I224 HydrophobicContact CD2-CD1 4.29Å; L211-I224 HydrophobicContact CG-CD1 4.27Å; S220-I224 VanDerWaalsContact O-CG1 3.23Å; S220-I224 WeakPolarHBondContact O-CG1 3.35Å; S220-I224 PolarHBondContact O-N 3.42Å; I224-V226 VanDerWaalsContact C-N 3.33Å; I224-V226 PolarHBondContact O-N 2.98Å; I224-L227 PolarHBondContact O-N 3.33Å; I224-L227 VanDerWaalsContact O-N 3.16Å; I224-V228 HydrophobicContact CG2-CG1 4.38Å; I224-V228 WeakPolarHBondContact O-CG2 3.29Å; I224-V228 PolarHBondContact O-N 2.84Å; I224-F250 HydrophobicContact CB-CE1 4.34Å; I224-F250 HydrophobicContact CB-CZ 4.26Å; I224-F250 HydrophobicContact CD1-CD1 4.45Å; I224-F250 HydrophobicContact CD1-CE1 3.89Å; I224-F250 HydrophobicContact CG1-CD1 4.49Å; I224-F250 HydrophobicContact CG1-CE1 3.61Å; I224-F250 HydrophobicContact CG1-CZ 3.82Å; I224-F250 HydrophobicContact CG2-CD1 4.24Å; I224-F250 HydrophobicContact CG2-CD2 4.4Å; I224-F250 HydrophobicContact CG2-CE1 3.93Å; I224-F250 HydrophobicContact CG2-CE2 4.14Å; I224-F250 HydrophobicContact CG2-CG 4.47Å; I224-F250 HydrophobicContact CG2-CZ 3.89Å; I224-I255 HydrophobicContact CD1-CD1 3.99Å; I224-I255 HydrophobicContact CG2-CD1 3.82Å; I224-Y277 HydrophobicContact CG2-CD2 4.15Å; I224-Y277 HydrophobicContact CG2-CE2 3.94Å |
| 225 | N | 94.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.9 | -31.3 | 174.5 | -84.1 | -62.7 | 0 | 0 | 0 | 113.5 | L221 Q222 F223 N229 H273 Y277 F965 | L221-N225 WeakPolarHBondContact O-CB 3.35Å; L221-N225 PolarHBondContact O-N 3.37Å; L221-N225 VanDerWaalsContact O-N 3.12Å; L221-N225 PolarHBondContact O-ND2 3.12Å; Q222-N225 WeakPolarHBondContact O-CB 3.2Å; Q222-N225 PolarHBondContact O-N 2.8Å; F223-N225 VanDerWaalsContact C-N 3.25Å; F223-N225 PolarHBondContact O-N 3.49Å; N225-N229 VanDerWaalsContact O-CB 3.25Å; N225-N229 WeakPolarHBondContact O-CB 3.38Å; N225-N229 PolarHBondContact O-N 2.95Å; N225-N229 PolarHBondContact O-ND2 3.26Å; N225-N229 PolarHBondContact OD1-ND2 3.44Å; N225-H273 PolarHBondContact ND2-O 3.27Å; N225-Y277 VanDerWaalsContact OD1-CA 3.27Å; N225-Y277 WeakPolarHBondContact OD1-CA 3.46Å; N225-Y277 WeakPolarHBondContact OD1-CB 3.42Å; N225-Y277 PolarHBondContact OD1-N 2.67Å; N225-F965 HydrophobicContact CB-CE1 4.17Å; N225-F965 HydrophobicContact CB-CE2 3.94Å; N225-F965 HydrophobicContact CB-CZ 3.6Å; N225-F965 WeakPolarHBondContact O-CE1 3.42Å |
| 226 | V | 93.5 | Very high | 83.7 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.9 | -47.6 | 169.5 | 177.1 | 0 | 0 | 0 | 0 | 110.1 | A176 L177 Q222 F223 I224 R230 L959 F965 | A176-V226 HydrophobicContact CB-CG1 3.88Å; L177-V226 HydrophobicContact CD1-CG2 4.18Å; L177-V226 HydrophobicContact CD2-CG1 3.91Å; L177-V226 HydrophobicContact CD2-CG2 4.18Å; L177-V226 HydrophobicContact CG-CG1 3.95Å; L177-V226 HydrophobicContact CG-CG2 4.15Å; Q222-V226 PolarHBondContact O-N 2.97Å; F223-V226 HydrophobicContact CD2-CB 4.32Å; F223-V226 WeakPolarHBondContact O-CA 3.4Å; F223-V226 WeakPolarHBondContact O-CB 3.39Å; F223-V226 PolarHBondContact O-N 3.12Å; I224-V226 VanDerWaalsContact C-N 3.33Å; I224-V226 PolarHBondContact O-N 2.98Å; V226-R230 WeakPolarHBondContact O-CB 3.29Å; V226-R230 PolarHBondContact O-N 2.9Å; V226-L959 HydrophobicContact CG2-CD1 3.49Å; V226-L959 VanDerWaalsContact CG2-CD1 3.49Å; V226-L959 HydrophobicContact CG2-CD2 3.93Å; V226-L959 HydrophobicContact CG2-CG 4.38Å; V226-F965 HydrophobicContact CG2-CZ 4.03Å |
| 227 | L | 93.6 | Very high | 81.9 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64 | -49.8 | -177.5 | -63.7 | 176.7 | 0 | 0 | 0 | 112.2 | Y183 V186 L187 L190 F204 L207 F223 I224 F250 | Y183-L227 PolarHBondContact OH-O 2.84Å; V186-L227 HydrophobicContact CG1-CD2 4.17Å; L187-L227 HydrophobicContact CD2-CD2 3.92Å; L187-L227 HydrophobicContact CG-CD2 4.49Å; L190-L227 HydrophobicContact CD1-CD1 4.01Å; F204-L227 HydrophobicContact CD1-CD1 4.24Å; F204-L227 HydrophobicContact CE1-CD1 4.02Å; L207-L227 HydrophobicContact CD1-CD1 3.8Å; F223-L227 HydrophobicContact CD2-CG 4.2Å; F223-L227 HydrophobicContact CE1-CD1 4.16Å; F223-L227 HydrophobicContact CE2-CD1 4.16Å; F223-L227 HydrophobicContact CE2-CD2 3.74Å; F223-L227 HydrophobicContact CE2-CG 3.86Å; F223-L227 HydrophobicContact CZ-CD1 3.93Å; F223-L227 HydrophobicContact CZ-CD2 3.99Å; F223-L227 HydrophobicContact CZ-CG 4.12Å; F223-L227 WeakPolarHBondContact O-CG 3.49Å; F223-L227 PolarHBondContact O-N 3.25Å; I224-L227 PolarHBondContact O-N 3.33Å; I224-L227 VanDerWaalsContact O-N 3.16Å; L227-F250 HydrophobicContact CD1-CZ 4.18Å |
| 228 | V | 92.4 | Very high | 80.4 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -86.5 | -10.7 | -171.9 | -52.3 | 0 | 0 | 0 | 0 | 115.6 | I224 R243 L246 R247 F250 Y277 | I224-V228 HydrophobicContact CG2-CG1 4.38Å; I224-V228 WeakPolarHBondContact O-CG2 3.29Å; I224-V228 PolarHBondContact O-N 2.84Å; V228-R243 WeakPolarHBondContact O-CB 3.48Å; V228-R243 VanDerWaalsContact O-CD 3.27Å; V228-R243 WeakPolarHBondContact O-CD 3.38Å; V228-R243 VanDerWaalsContact O-CG 3.26Å; V228-R243 WeakPolarHBondContact O-CG 3.39Å; V228-L246 HydrophobicContact CG1-CB 4.3Å; V228-R247 HydrophobicContact CB-CG 3.78Å; V228-R247 HydrophobicContact CG1-CG 3.94Å; V228-R247 HydrophobicContact CG2-CG 4.19Å; V228-R247 PolarHBondContact O-NH2 2.85Å; V228-F250 HydrophobicContact CG1-CD2 3.48Å; V228-F250 VanDerWaalsContact CG1-CD2 3.48Å; V228-F250 HydrophobicContact CG1-CE2 3.55Å; V228-Y277 HydrophobicContact CG1-CE2 4.39Å; V228-Y277 HydrophobicContact CG2-CD2 3.85Å; V228-Y277 HydrophobicContact CG2-CE2 3.81Å |
| 229 | N | 88.1 | Confident | 79.3 | Confident | 27 Ų | 27 | 31.8 Ų | 31.8 | 14% | 0.144 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -113 | -14.4 | -179.2 | -55.8 | -50.3 | 0 | 0 | 0 | 113.9 | N225 R247 R280 F965 | N225-N229 VanDerWaalsContact O-CB 3.25Å; N225-N229 WeakPolarHBondContact O-CB 3.38Å; N225-N229 PolarHBondContact O-N 2.95Å; N225-N229 PolarHBondContact O-ND2 3.26Å; N225-N229 PolarHBondContact OD1-ND2 3.44Å; N229-R247 PolarHBondContact OD1-NH2 3.31Å; N229-R280 WeakPolarHBondContact OD1-CB 3.5Å; N229-F965 HydrophobicContact CB-CD1 4.06Å; N229-F965 HydrophobicContact CB-CE1 4.24Å |
| 230 | R | 79.5 | Confident | 78.7 | Confident | 53 Ų | 53 | 32.8 Ų | 32.8 | 20% | 0.2 | 18% | 0.181 | C | C | . | . | trans | -95.7 | 157.7 | 169.2 | -173 | 170.4 | 171.6 | 136 | -20.1 | 109.2 | A176 L177 N179 Y183 V226 | A176-R230 PolarHBondContact O-NE 3.33Å; A176-R230 PolarHBondContact O-NH2 3.48Å; L177-R230 VanDerWaalsContact C-NH2 3.27Å; L177-R230 VanDerWaalsContact O-CZ 3.25Å; L177-R230 PolarHBondContact O-NH1 2.91Å; L177-R230 PolarHBondContact O-NH2 3.12Å; N179-R230 VanDerWaalsContact C-NH2 3.31Å; N179-R230 PolarHBondContact O-NH2 3.48Å; N179-R230 VanDerWaalsContact O-NH2 3.09Å; Y183-R230 HydrophobicContact CD2-CB 4.2Å; Y183-R230 HydrophobicContact CD2-CG 4.02Å; Y183-R230 HydrophobicContact CE2-CB 3.91Å; Y183-R230 HydrophobicContact CE2-CG 4.19Å; Y183-R230 PolarHBondContact OH-O 3.09Å; V226-R230 WeakPolarHBondContact O-CB 3.29Å; V226-R230 PolarHBondContact O-N 2.9Å | ||
| 231 | S | 67.9 | Low | 77.9 | Confident | 22 Ų | 22 | 34.5 Ų | 34.5 | 15% | 0.154 | 19% | 0.19 | C | C | . | . | trans | -138.3 | 168.6 | 171 | -179.7 | 0 | 0 | 0 | 0 | 109.7 | L233 D239 | S231-L233 PolarHBondContact OG-N 3.34Å; S231-D239 WeakPolarHBondContact CB-OD1 3.49Å; S231-D239 WeakPolarHBondContact CB-OD2 3.41Å; S231-D239 PolarHBondContact OG-OD1 3.12Å | ||
| 232 | C | 62.8 | Low | 77.3 | Confident | 32 Ų | 32 | 34.6 Ų | 34.6 | 22% | 0.216 | 19% | 0.19 | C | C | . | . | trans | -116.1 | 4.8 | 177.3 | 62.3 | 0 | 0 | 0 | 0 | 113.6 | A180 Y183 | A180-C232 HydrophobicContact CB-CB 4.19Å; Y183-C232 HydrophobicContact CD1-CB 3.84Å; Y183-C232 HydrophobicContact CE1-CB 4.39Å | ||
| 233 | L | 54.6 | Low | 77 | Confident | 30 Ų | 30 | 35.7 Ų | 35.7 | 16% | 0.157 | 19% | 0.194 | C | C | . | . | trans | -87.4 | 142.6 | 179.9 | -54.5 | 172 | 0 | 0 | 0 | 110.5 | S231 E235 F238 D239 P361 | S231-L233 PolarHBondContact OG-N 3.34Å; L233-E235 VanDerWaalsContact C-N 3.28Å; L233-F238 HydrophobicContact CD1-CB 3.73Å; L233-D239 WeakPolarHBondContact CB-OD1 3.13Å; L233-P361 HydrophobicContact CD2-CB 4.02Å; L233-P361 HydrophobicContact CD2-CG 4.23Å | ||
| 234 | D | 53.7 | Low | 76.5 | Confident | 158 Ų | 158 | 37 Ų | 37 | 85% | 0.845 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -77.6 | -13.2 | 177 | -76.1 | -41.1 | 0 | 0 | 0 | 112.7 | ||
| 235 | E | 50.9 | Low | 76 | Confident | 90 Ų | 90 | 39.2 Ų | 39.2 | 42% | 0.421 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -111.9 | 120.1 | -175.2 | -64.8 | -161.2 | 135.7 | 0 | 0 | 113.1 | L233 S237 D239 N356 | L233-E235 VanDerWaalsContact C-N 3.28Å; E235-S237 PolarHBondContact O-N 3.36Å; E235-D239 PolarHBondContact O-N 3.43Å; E235-N356 PolarHBondContact OE2-ND2 2.88Å |
| 236 | S | 59.2 | Low | 75.9 | Confident | 100 Ų | 100 | 39.2 Ų | 39.2 | 70% | 0.699 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -13.8 | -171.4 | 60.9 | 0 | 0 | 0 | 0 | 116 | D239 | S236-D239 WeakPolarHBondContact O-CB 3.05Š|
| 237 | S | 58.5 | Low | 75.8 | Confident | 52 Ų | 52 | 39.7 Ų | 39.7 | 36% | 0.364 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -44.8 | -178.5 | 44.2 | 0 | 0 | 0 | 0 | 113.3 | E235 D239 R291 | E235-S237 PolarHBondContact O-N 3.36Å; S237-D239 VanDerWaalsContact C-N 3.32Å; S237-R291 PolarHBondContact O-NH1 2.9Å |
| 238 | F | 63.7 | Low | 75.5 | Confident | 59 Ų | 59 | 42.7 Ų | 42.7 | 26% | 0.259 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -77 | -25.2 | 177.3 | -67.7 | -79.4 | 0 | 0 | 0 | 111.9 | L233 I240 D241 Y242 N356 | L233-F238 HydrophobicContact CD1-CB 3.73Å; F238-I240 PolarHBondContact O-N 3.27Å; F238-D241 PolarHBondContact O-N 3.44Å; F238-D241 VanDerWaalsContact O-N 3.14Å; F238-Y242 WeakPolarHBondContact O-CB 3.32Å; F238-Y242 PolarHBondContact O-N 3.4Å; F238-N356 HydrophobicContact CD2-CB 4.28Å; F238-N356 WeakPolarHBondContact CD2-ND2 3.5Å; F238-N356 HydrophobicContact CE2-CB 4.44Å; F238-N356 WeakPolarHBondContact CE2-ND2 3.33Å; F238-N356 HydrophobicContact CG-CB 4.36Å |
| 239 | D | 73.5 | Confident | 75.3 | Confident | 32 Ų | 32 | 44 Ų | 44 | 17% | 0.171 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -48.2 | -41.8 | 170.9 | -124.6 | 44.5 | 0 | 0 | 0 | 113.7 | S231 L233 E235 S236 S237 R243 | S231-D239 WeakPolarHBondContact CB-OD1 3.49Å; S231-D239 WeakPolarHBondContact CB-OD2 3.41Å; S231-D239 PolarHBondContact OG-OD1 3.12Å; L233-D239 WeakPolarHBondContact CB-OD1 3.13Å; E235-D239 PolarHBondContact O-N 3.43Å; S236-D239 WeakPolarHBondContact O-CB 3.05Å; S237-D239 VanDerWaalsContact C-N 3.32Å; D239-R243 VanDerWaalsContact O-CG 3.32Å; D239-R243 WeakPolarHBondContact O-CG 3.41Å; D239-R243 PolarHBondContact O-N 3.28Å; D239-R243 PolarHBondContact O-NH1 3.33Å; D239-R243 VanDerWaalsContact O-NH1 3.12Å; D239-R243 IonicContact OD2-NH1 3.43Å; D239-R243 PolarHBondContact OD2-NH1 2.9Å; D239-R243 VanDerWaalsContact OD2-NH1 3.08Å |
| 240 | I | 81.8 | Confident | 75.7 | Confident | 26 Ų | 26 | 42.7 Ų | 42.7 | 13% | 0.133 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -72 | -47.1 | 179.3 | -59.6 | 160.1 | 0 | 0 | 0 | 109.9 | F238 Y242 R243 V244 D284 D287 V288 | F238-I240 PolarHBondContact O-N 3.27Å; I240-Y242 VanDerWaalsContact C-N 3.3Å; I240-Y242 PolarHBondContact O-N 3.02Å; I240-R243 PolarHBondContact O-N 2.81Å; I240-V244 HydrophobicContact CG2-CG2 4.41Å; I240-V244 WeakPolarHBondContact O-CG2 3.34Å; I240-V244 PolarHBondContact O-N 3.46Å; I240-D284 HydrophobicContact CG2-CB 3.98Å; I240-D284 WeakPolarHBondContact CG2-O 3.4Å; I240-D287 HydrophobicContact CD1-CB 3.96Å; I240-V288 HydrophobicContact CG2-CG2 3.64Å |
| 241 | D | 81.4 | Confident | 76.2 | Confident | 37 Ų | 37 | 43.3 Ų | 43.3 | 20% | 0.198 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.6 | -41.8 | -178.6 | -63.4 | -39.2 | 0 | 0 | 0 | 111.3 | F238 V244 H245 R291 | F238-D241 PolarHBondContact O-N 3.44Å; F238-D241 VanDerWaalsContact O-N 3.14Å; D241-V244 PolarHBondContact O-N 3.44Å; D241-H245 WeakPolarHBondContact O-CB 3.4Å; D241-H245 PolarHBondContact O-N 3.05Å; D241-R291 IonicContact OD1-CZ 3.95Å; D241-R291 IonicContact OD1-NH1 3.92Å; D241-R291 IonicContact OD1-NH2 2.6Å; D241-R291 PolarHBondContact OD1-NH2 2.95Å; D241-R291 IonicContact OD2-CZ 2.71Å; D241-R291 VanDerWaalsContact OD2-CZ 3.23Å; D241-R291 IonicContact OD2-NH1 2.9Å; D241-R291 PolarHBondContact OD2-NH1 3.06Å; D241-R291 IonicContact OD2-NH2 3.87Å; D241-R291 PolarHBondContact OD2-NH2 3.22Å |
| 242 | Y | 84.4 | Confident | 77.2 | Confident | 1 Ų | 1 | 47 Ų | 47 | 0% | 0.004 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.4 | -41.9 | 175.6 | -175.4 | -112.1 | 0 | 0 | 0 | 113.1 | Y183 L187 F238 I240 H245 L246 I354 P361 D362 | Y183-Y242 HydrophobicContact CE1-CE1 4.02Å; L187-Y242 WeakPolarHBondContact CD1-OH 3.1Å; F238-Y242 WeakPolarHBondContact O-CB 3.32Å; F238-Y242 PolarHBondContact O-N 3.4Å; I240-Y242 VanDerWaalsContact C-N 3.3Å; I240-Y242 PolarHBondContact O-N 3.02Å; Y242-H245 WeakPolarHBondContact O-CB 3.36Å; Y242-H245 PolarHBondContact O-N 2.82Å; Y242-L246 HydrophobicContact CD1-CD1 4.15Å; Y242-L246 HydrophobicContact CE1-CD1 3.66Å; Y242-L246 HydrophobicContact CE1-CG 4.29Å; Y242-L246 WeakPolarHBondContact O-CG 3.48Å; Y242-L246 PolarHBondContact O-N 3.42Å; Y242-I354 HydrophobicContact CD2-CG2 3.76Å; Y242-P361 HydrophobicContact CD2-CB 4.03Å; Y242-P361 HydrophobicContact CD2-CG 3.7Å; Y242-P361 HydrophobicContact CE2-CB 3.66Å; Y242-P361 HydrophobicContact CE2-CG 3.73Å; Y242-P361 HydrophobicContact CG-CG 4.4Å; Y242-P361 PolarHBondContact OH-O 3.43Å; Y242-D362 HydrophobicContact CE2-CB 4.39Å |
| 243 | R | 88.4 | Confident | 78.6 | Confident | 31 Ų | 31 | 46.9 Ų | 46.9 | 12% | 0.117 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.7 | -36.3 | 173.9 | -73.3 | -169.5 | -55.3 | -89.3 | 7.9 | 112.7 | V228 D239 I240 R247 D284 | V228-R243 WeakPolarHBondContact O-CB 3.48Å; V228-R243 VanDerWaalsContact O-CD 3.27Å; V228-R243 WeakPolarHBondContact O-CD 3.38Å; V228-R243 VanDerWaalsContact O-CG 3.26Å; V228-R243 WeakPolarHBondContact O-CG 3.39Å; D239-R243 VanDerWaalsContact O-CG 3.32Å; D239-R243 WeakPolarHBondContact O-CG 3.41Å; D239-R243 PolarHBondContact O-N 3.28Å; D239-R243 PolarHBondContact O-NH1 3.33Å; D239-R243 VanDerWaalsContact O-NH1 3.12Å; D239-R243 IonicContact OD2-NH1 3.43Å; D239-R243 PolarHBondContact OD2-NH1 2.9Å; D239-R243 VanDerWaalsContact OD2-NH1 3.08Å; I240-R243 PolarHBondContact O-N 2.81Å; R243-R247 WeakPolarHBondContact O-CG 3.35Å; R243-R247 PolarHBondContact O-N 2.91Å; R243-R247 PolarHBondContact O-NH1 2.9Å; R243-D284 IonicContact CZ-OD1 2.86Å; R243-D284 IonicContact CZ-OD2 3.94Å; R243-D284 IonicContact NE-OD1 3.29Å; R243-D284 PolarHBondContact NE-OD1 3.32Å; R243-D284 VanDerWaalsContact NE-OD1 3.14Å; R243-D284 IonicContact NE-OD2 3.89Å; R243-D284 PolarHBondContact NE-OD2 2.86Å; R243-D284 IonicContact NH2-OD1 3Å; R243-D284 PolarHBondContact NH2-OD1 2.95Å; R243-D284 IonicContact NH2-OD2 2.97Å |
| 244 | V | 87.4 | Confident | 80.5 | Confident | 27 Ų | 27 | 46.8 Ų | 46.8 | 16% | 0.164 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.7 | -47.4 | 173.9 | 170.4 | 0 | 0 | 0 | 0 | 110 | I240 D241 L246 R247 C248 D284 V288 | I240-V244 HydrophobicContact CG2-CG2 4.41Å; I240-V244 WeakPolarHBondContact O-CG2 3.34Å; I240-V244 PolarHBondContact O-N 3.46Å; D241-V244 PolarHBondContact O-N 3.44Å; V244-L246 PolarHBondContact O-N 3.04Å; V244-R247 PolarHBondContact O-N 2.71Å; V244-R247 VanDerWaalsContact O-N 3.11Å; V244-C248 PolarHBondContact O-N 3.12Å; V244-C248 PolarHBondContact O-SG 2.63Å; V244-C248 VanDerWaalsContact O-SG 3.4Å; V244-D284 HydrophobicContact CG2-CB 4.11Å; V244-V288 HydrophobicContact CG2-CG2 4.38Å |
| 245 | H | 87.1 | Confident | 82.5 | Confident | 46 Ų | 46 | 39.3 Ų | 39.3 | 21% | 0.213 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -54.3 | -51.8 | 175.7 | 174.1 | 70 | 0 | 0 | 0 | 112.9 | D241 Y242 R247 C248 E249 I354 D362 | D241-H245 WeakPolarHBondContact O-CB 3.4Å; D241-H245 PolarHBondContact O-N 3.05Å; Y242-H245 WeakPolarHBondContact O-CB 3.36Å; Y242-H245 PolarHBondContact O-N 2.82Å; H245-R247 VanDerWaalsContact C-N 3.27Å; H245-R247 PolarHBondContact O-N 3.34Å; H245-C248 WeakPolarHBondContact O-CB 3.4Å; H245-C248 PolarHBondContact O-N 3.03Å; H245-E249 PolarHBondContact O-N 2.92Å; H245-I354 HydrophobicContact CB-CD1 3.66Å; H245-D362 IonicContact CD2-OD2 2.66Å; H245-D362 IonicContact CE1-OD2 2.69Å; H245-D362 IonicContact NE2-OD2 2.63Å; H245-D362 PolarHBondContact NE2-OD2 3.3Å |
| 246 | L | 90.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.4 | -37.9 | 176.8 | -68.6 | 179.2 | 0 | 0 | 0 | 112.2 | Y183 F204 V228 Y242 V244 E249 F250 | Y183-L246 WeakPolarHBondContact OH-CD1 3.23Å; F204-L246 HydrophobicContact CE2-CD2 3.97Å; F204-L246 HydrophobicContact CZ-CD2 3.95Å; V228-L246 HydrophobicContact CG1-CB 4.3Å; Y242-L246 HydrophobicContact CD1-CD1 4.15Å; Y242-L246 HydrophobicContact CE1-CD1 3.66Å; Y242-L246 HydrophobicContact CE1-CG 4.29Å; Y242-L246 WeakPolarHBondContact O-CG 3.48Å; Y242-L246 PolarHBondContact O-N 3.42Å; V244-L246 PolarHBondContact O-N 3.04Å; L246-E249 WeakPolarHBondContact O-CB 3.2Å; L246-E249 PolarHBondContact O-N 3.38Å; L246-F250 VanDerWaalsContact O-CD2 3.27Å; L246-F250 WeakPolarHBondContact O-CD2 3.37Å; L246-F250 PolarHBondContact O-N 3.35Å |
| 247 | R | 91.3 | Very high | 86.2 | Confident | 10 Ų | 10 | 39.1 Ų | 39.1 | 4% | 0.038 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.6 | -34.8 | 175.4 | -68.7 | -168.9 | -159.2 | 95.2 | -9.1 | 112.8 | V228 N229 R243 V244 H245 E249 F250 N251 Y277 D284 | V228-R247 HydrophobicContact CB-CG 3.78Å; V228-R247 HydrophobicContact CG1-CG 3.94Å; V228-R247 HydrophobicContact CG2-CG 4.19Å; V228-R247 PolarHBondContact O-NH2 2.85Å; N229-R247 PolarHBondContact OD1-NH2 3.31Å; R243-R247 WeakPolarHBondContact O-CG 3.35Å; R243-R247 PolarHBondContact O-N 2.91Å; R243-R247 PolarHBondContact O-NH1 2.9Å; V244-R247 PolarHBondContact O-N 2.71Å; V244-R247 VanDerWaalsContact O-N 3.11Å; H245-R247 VanDerWaalsContact C-N 3.27Å; H245-R247 PolarHBondContact O-N 3.34Å; R247-E249 VanDerWaalsContact C-N 3.28Å; R247-E249 PolarHBondContact O-N 2.92Å; R247-F250 PolarHBondContact O-N 2.73Å; R247-N251 VanDerWaalsContact O-CB 3.3Å; R247-N251 WeakPolarHBondContact O-CB 3.4Å; R247-N251 PolarHBondContact O-N 2.98Å; R247-N251 PolarHBondContact O-OD1 3.26Å; R247-Y277 HydrophobicContact CG-CE2 4.42Å; R247-D284 IonicContact CZ-OD2 2.7Å; R247-D284 IonicContact NH1-OD2 3.22Å; R247-D284 PolarHBondContact NH1-OD2 3.3Å; R247-D284 IonicContact NH2-OD2 3.39Å; R247-D284 PolarHBondContact NH2-OD2 3.39Å |
| 248 | C | 87.9 | Confident | 88 | Confident | 63 Ų | 63 | 38.3 Ų | 38.3 | 43% | 0.426 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.9 | -38.2 | 171.4 | -70.1 | 0 | 0 | 0 | 0 | 111.5 | V244 H245 N251 S252 | V244-C248 PolarHBondContact O-N 3.12Å; V244-C248 PolarHBondContact O-SG 2.63Å; V244-C248 VanDerWaalsContact O-SG 3.4Å; H245-C248 WeakPolarHBondContact O-CB 3.4Å; H245-C248 PolarHBondContact O-N 3.03Å; C248-N251 PolarHBondContact O-N 2.71Å; C248-S252 WeakPolarHBondContact O-CB 3.49Å; C248-S252 PolarHBondContact O-N 3.28Å; C248-S252 PolarHBondContact O-OG 3.19Å |
| 249 | E | 89.3 | Confident | 89.6 | Confident | 28 Ų | 28 | 35.6 Ų | 35.6 | 13% | 0.131 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.6 | -49.8 | 174.4 | -161.5 | -178.2 | 175.9 | 0 | 0 | 111.4 | R203 F204 H245 L246 R247 N251 S252 L253 | R203-E249 VanDerWaalsContact CG-OE1 3.27Å; R203-E249 WeakPolarHBondContact CG-OE1 3.3Å; R203-E249 IonicContact CZ-OE1 2.75Å; R203-E249 IonicContact CZ-OE2 3.83Å; R203-E249 VanDerWaalsContact CZ-OE2 3.29Å; R203-E249 VanDerWaalsContact NE-CD 3.33Å; R203-E249 IonicContact NE-OE1 3.17Å; R203-E249 PolarHBondContact NE-OE1 3.43Å; R203-E249 IonicContact NE-OE2 3.89Å; R203-E249 PolarHBondContact NE-OE2 2.75Å; R203-E249 IonicContact NH2-OE1 3.35Å; R203-E249 IonicContact NH2-OE2 2.8Å; R203-E249 PolarHBondContact NH2-OE2 3.49Å; F204-E249 HydrophobicContact CD2-CG 4.23Å; F204-E249 HydrophobicContact CE2-CB 4.5Å; F204-E249 HydrophobicContact CE2-CG 4.39Å; F204-E249 WeakPolarHBondContact CE2-OE2 3.36Å; H245-E249 PolarHBondContact O-N 2.92Å; L246-E249 WeakPolarHBondContact O-CB 3.2Å; L246-E249 PolarHBondContact O-N 3.38Å; R247-E249 VanDerWaalsContact C-N 3.28Å; R247-E249 PolarHBondContact O-N 2.92Å; E249-N251 VanDerWaalsContact C-N 3.33Å; E249-N251 PolarHBondContact O-N 2.94Å; E249-S252 WeakPolarHBondContact O-CB 3.4Å; E249-S252 PolarHBondContact O-N 3.41Å; E249-S252 VanDerWaalsContact O-N 3.14Å; E249-L253 WeakPolarHBondContact O-CG 3.27Å; E249-L253 PolarHBondContact O-N 3.01Å; E249-L253 VanDerWaalsContact O-N 3.14Å |
| 250 | F | 95 | Very high | 90.6 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.5 | -38.6 | 174.6 | -85.6 | -72.3 | 0 | 0 | 0 | 113.5 | F204 L207 V208 I224 L227 V228 L246 R247 L253 G254 I255 | F204-F250 HydrophobicContact CB-CD1 4.03Å; F204-F250 HydrophobicContact CB-CE1 3.46Å; F204-F250 VanDerWaalsContact CB-CE1 3.46Å; F204-F250 HydrophobicContact CB-CE2 4.4Å; F204-F250 HydrophobicContact CB-CZ 3.66Å; F204-F250 HydrophobicContact CD1-CE2 4.43Å; F204-F250 AromaticContact CD1-CZ 3.97Å; F204-F250 HydrophobicContact CD1-CZ 3.97Å; F204-F250 HydrophobicContact CD2-CD1 4.42Å; F204-F250 AromaticContact CD2-CD2 3.91Å; F204-F250 HydrophobicContact CD2-CD2 3.91Å; F204-F250 HydrophobicContact CD2-CE1 4.13Å; F204-F250 AromaticContact CD2-CE2 3.55Å; F204-F250 HydrophobicContact CD2-CE2 3.55Å; F204-F250 HydrophobicContact CD2-CG 4.32Å; F204-F250 AromaticContact CD2-CZ 3.67Å; F204-F250 HydrophobicContact CD2-CZ 3.67Å; F204-F250 HydrophobicContact CE2-CD2 4.26Å; F204-F250 AromaticContact CE2-CE2 3.81Å; F204-F250 HydrophobicContact CE2-CE2 3.81Å; F204-F250 HydrophobicContact CE2-CZ 4.27Å; F204-F250 HydrophobicContact CG-CD1 4.5Å; F204-F250 AromaticContact CG-CE1 3.86Å; F204-F250 HydrophobicContact CG-CE1 3.86Å; F204-F250 AromaticContact CG-CE2 3.89Å; F204-F250 HydrophobicContact CG-CE2 3.89Å; F204-F250 AromaticContact CG-CZ 3.5Å; F204-F250 HydrophobicContact CG-CZ 3.5Å; F204-F250 VanDerWaalsContact CG-CZ 3.5Å; F204-F250 HydrophobicContact CZ-CE2 4.38Å; L207-F250 HydrophobicContact CD1-CZ 4.4Å; V208-F250 HydrophobicContact CG2-CD1 3.78Å; V208-F250 HydrophobicContact CG2-CE1 4.13Å; I224-F250 HydrophobicContact CB-CE1 4.34Å; I224-F250 HydrophobicContact CB-CZ 4.26Å; I224-F250 HydrophobicContact CD1-CD1 4.45Å; I224-F250 HydrophobicContact CD1-CE1 3.89Å; I224-F250 HydrophobicContact CG1-CD1 4.49Å; I224-F250 HydrophobicContact CG1-CE1 3.61Å; I224-F250 HydrophobicContact CG1-CZ 3.82Å; I224-F250 HydrophobicContact CG2-CD1 4.24Å; I224-F250 HydrophobicContact CG2-CD2 4.4Å; I224-F250 HydrophobicContact CG2-CE1 3.93Å; I224-F250 HydrophobicContact CG2-CE2 4.14Å; I224-F250 HydrophobicContact CG2-CG 4.47Å; I224-F250 HydrophobicContact CG2-CZ 3.89Å; L227-F250 HydrophobicContact CD1-CZ 4.18Å; V228-F250 HydrophobicContact CG1-CD2 3.48Å; V228-F250 VanDerWaalsContact CG1-CD2 3.48Å; V228-F250 HydrophobicContact CG1-CE2 3.55Å; L246-F250 VanDerWaalsContact O-CD2 3.27Å; L246-F250 WeakPolarHBondContact O-CD2 3.37Å; L246-F250 PolarHBondContact O-N 3.35Å; R247-F250 PolarHBondContact O-N 2.73Å; F250-L253 PolarHBondContact O-N 2.99Å; F250-G254 PolarHBondContact O-N 2.66Å; F250-I255 HydrophobicContact CB-CB 4.32Å; F250-I255 HydrophobicContact CB-CD1 4.2Å; F250-I255 HydrophobicContact CB-CG2 4.03Å; F250-I255 HydrophobicContact CD1-CD1 3.92Å; F250-I255 HydrophobicContact CG-CD1 4.26Å; F250-I255 WeakPolarHBondContact O-CB 3.47Å; F250-I255 WeakPolarHBondContact O-CG2 3.45Å; F250-I255 PolarHBondContact O-N 3.18Å; F250-I255 VanDerWaalsContact O-N 3.16Å |
| 251 | N | 91.2 | Very high | 91.2 | Very high | 65 Ų | 65 | 41.7 Ų | 41.7 | 35% | 0.348 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.5 | -42.4 | 174.6 | -72.6 | -7.7 | 0 | 0 | 0 | 111.2 | R247 C248 E249 L253 G254 I255 | R247-N251 VanDerWaalsContact O-CB 3.3Å; R247-N251 WeakPolarHBondContact O-CB 3.4Å; R247-N251 PolarHBondContact O-N 2.98Å; R247-N251 PolarHBondContact O-OD1 3.26Å; C248-N251 PolarHBondContact O-N 2.71Å; E249-N251 VanDerWaalsContact C-N 3.33Å; E249-N251 PolarHBondContact O-N 2.94Å; N251-L253 PolarHBondContact O-N 3.32Å; N251-G254 WeakPolarHBondContact O-CA 3.46Å; N251-G254 PolarHBondContact O-N 2.91Å; N251-I255 WeakPolarHBondContact OD1-CG2 3.49Å |
| 252 | S | 87.7 | Confident | 91.8 | Very high | 100 Ų | 100 | 41 Ų | 41 | 70% | 0.699 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -63.1 | -26.7 | 176.3 | -59.1 | 0 | 0 | 0 | 0 | 113.3 | C248 E249 G254 | C248-S252 WeakPolarHBondContact O-CB 3.49Å; C248-S252 PolarHBondContact O-N 3.28Å; C248-S252 PolarHBondContact O-OG 3.19Å; E249-S252 WeakPolarHBondContact O-CB 3.4Å; E249-S252 PolarHBondContact O-N 3.41Å; E249-S252 VanDerWaalsContact O-N 3.14Å; S252-G254 VanDerWaalsContact C-N 3.3Å |
| 253 | L | 93.9 | Very high | 92.2 | Very high | 29 Ų | 29 | 45 Ų | 45 | 15% | 0.152 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 0.6 | 172 | -57.8 | -178.2 | 0 | 0 | 0 | 113.7 | E202 F204 M205 V208 E249 F250 N251 | E202-L253 HydrophobicContact CG-CD2 4.47Å; F204-L253 HydrophobicContact CB-CD1 3.79Å; M205-L253 HydrophobicContact CB-CD1 4.4Å; M205-L253 HydrophobicContact CE-CD2 3.88Å; V208-L253 HydrophobicContact CG2-CB 4.08Å; V208-L253 HydrophobicContact CG2-CD1 4.37Å; E249-L253 WeakPolarHBondContact O-CG 3.27Å; E249-L253 PolarHBondContact O-N 3.01Å; E249-L253 VanDerWaalsContact O-N 3.14Å; F250-L253 PolarHBondContact O-N 2.99Å; N251-L253 PolarHBondContact O-N 3.32Å |
| 254 | G | 93.9 | Very high | 92.3 | Very high | 29 Ų | 29 | 50 Ų | 50 | 30% | 0.299 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | 22.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | F250 N251 S252 I256 E257 | F250-G254 PolarHBondContact O-N 2.66Å; N251-G254 WeakPolarHBondContact O-CA 3.46Å; N251-G254 PolarHBondContact O-N 2.91Å; S252-G254 VanDerWaalsContact C-N 3.3Å; G254-I256 PolarHBondContact O-N 3.36Å; G254-I256 VanDerWaalsContact O-N 3.16Å; G254-E257 PolarHBondContact O-N 3.05Å |
| 255 | I | 96.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -53.9 | -36.8 | -178 | -163.3 | 173.6 | 0 | 0 | 0 | 113.3 | L211 I224 F250 N251 E257 K258 L259 Y277 | L211-I255 HydrophobicContact CD1-CD1 4.31Å; L211-I255 HydrophobicContact CD1-CG1 3.83Å; I224-I255 HydrophobicContact CD1-CD1 3.99Å; I224-I255 HydrophobicContact CG2-CD1 3.82Å; F250-I255 HydrophobicContact CB-CB 4.32Å; F250-I255 HydrophobicContact CB-CD1 4.2Å; F250-I255 HydrophobicContact CB-CG2 4.03Å; F250-I255 HydrophobicContact CD1-CD1 3.92Å; F250-I255 HydrophobicContact CG-CD1 4.26Å; F250-I255 WeakPolarHBondContact O-CB 3.47Å; F250-I255 WeakPolarHBondContact O-CG2 3.45Å; F250-I255 PolarHBondContact O-N 3.18Å; F250-I255 VanDerWaalsContact O-N 3.16Å; N251-I255 WeakPolarHBondContact OD1-CG2 3.49Å; I255-E257 VanDerWaalsContact C-N 3.3Å; I255-E257 PolarHBondContact O-N 3.08Å; I255-K258 WeakPolarHBondContact O-CA 3.42Å; I255-K258 VanDerWaalsContact O-CB 3.29Å; I255-K258 WeakPolarHBondContact O-CB 3.2Å; I255-K258 PolarHBondContact O-N 3.03Å; I255-L259 HydrophobicContact CG1-CD1 4.39Å; I255-L259 HydrophobicContact CG1-CD2 4.43Å; I255-L259 HydrophobicContact CG1-CG 4.16Å; I255-L259 WeakPolarHBondContact O-CG 3.31Å; I255-L259 PolarHBondContact O-N 2.82Å; I255-Y277 HydrophobicContact CD1-CE2 4Å |
| 256 | I | 93.7 | Very high | 92.7 | Very high | 74 Ų | 74 | 56.6 Ų | 56.6 | 38% | 0.379 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60 | -39.1 | -176.8 | -58.3 | -58.8 | 0 | 0 | 0 | 111.7 | G254 K258 L259 N260 Y277 | G254-I256 PolarHBondContact O-N 3.36Å; G254-I256 VanDerWaalsContact O-N 3.16Å; I256-K258 VanDerWaalsContact C-N 3.28Å; I256-K258 PolarHBondContact O-N 3.03Å; I256-L259 HydrophobicContact CD1-CD1 4.5Å; I256-L259 PolarHBondContact O-N 3.25Å; I256-N260 WeakPolarHBondContact O-CB 3.47Å; I256-N260 PolarHBondContact O-N 2.94Å; I256-N260 PolarHBondContact O-ND2 3.29Å; I256-N260 PolarHBondContact O-OD1 3.38Å; I256-Y277 HydrophobicContact CD1-CE1 4.5Å |
| 257 | E | 93.9 | Very high | 92.8 | Very high | 113 Ų | 113 | 58.3 Ų | 58.3 | 53% | 0.528 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.2 | -37.3 | 175.1 | -163.1 | -158 | 130.9 | 0 | 0 | 111.3 | G254 I255 K261 | G254-E257 PolarHBondContact O-N 3.05Å; I255-E257 VanDerWaalsContact C-N 3.3Å; I255-E257 PolarHBondContact O-N 3.08Å; E257-K261 WeakPolarHBondContact O-CG 3.48Å; E257-K261 PolarHBondContact O-N 3.32Å; E257-K261 WeakPolarHBondContact OE1-CE 3.34Å; E257-K261 IonicContact OE1-NZ 2.72Å; E257-K261 PolarHBondContact OE1-NZ 3.18Å |
| 258 | K | 95.7 | Very high | 92.8 | Very high | 35 Ų | 35 | 61.4 Ų | 61.4 | 15% | 0.152 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.1 | -46.6 | 177.6 | -48.8 | -55.8 | -172.9 | -179 | 0 | 111.4 | V208 L211 D212 I255 I256 N260 K261 L262 | V208-K258 HydrophobicContact CG1-CG 3.96Å; L211-K258 HydrophobicContact CB-CB 3.88Å; L211-K258 HydrophobicContact CB-CG 4.26Å; L211-K258 HydrophobicContact CD1-CB 3.75Å; L211-K258 HydrophobicContact CD1-CG 4.21Å; L211-K258 HydrophobicContact CG-CB 4.49Å; D212-K258 VanDerWaalsContact CG-NZ 3.3Å; D212-K258 WeakPolarHBondContact OD1-CD 3.39Å; D212-K258 IonicContact OD1-NZ 2.63Å; D212-K258 PolarHBondContact OD1-NZ 2.95Å; D212-K258 WeakPolarHBondContact OD2-CE 3.39Å; D212-K258 IonicContact OD2-NZ 2.72Å; D212-K258 PolarHBondContact OD2-NZ 3.11Å; I255-K258 WeakPolarHBondContact O-CA 3.42Å; I255-K258 VanDerWaalsContact O-CB 3.29Å; I255-K258 WeakPolarHBondContact O-CB 3.2Å; I255-K258 PolarHBondContact O-N 3.03Å; I256-K258 VanDerWaalsContact C-N 3.28Å; I256-K258 PolarHBondContact O-N 3.03Å; K258-N260 VanDerWaalsContact C-N 3.33Å; K258-N260 PolarHBondContact O-N 3.29Å; K258-K261 WeakPolarHBondContact O-CB 3.18Å; K258-K261 PolarHBondContact O-N 3.36Å; K258-K261 VanDerWaalsContact O-N 3.17Å; K258-L262 WeakPolarHBondContact O-CG 3.5Å; K258-L262 PolarHBondContact O-N 3.4Å |
| 259 | L | 96.2 | Very high | 93 | Very high | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.4 | -43.3 | 177.9 | -60.5 | -178.6 | 0 | 0 | 0 | 111.3 | L221 I255 I256 K261 L262 E263 I274 Y277 | L221-L259 HydrophobicContact CD1-CD2 3.5Å; L221-L259 VanDerWaalsContact CD1-CD2 3.5Å; L221-L259 HydrophobicContact CD2-CD2 4.39Å; I255-L259 HydrophobicContact CG1-CD1 4.39Å; I255-L259 HydrophobicContact CG1-CD2 4.43Å; I255-L259 HydrophobicContact CG1-CG 4.16Å; I255-L259 WeakPolarHBondContact O-CG 3.31Å; I255-L259 PolarHBondContact O-N 2.82Å; I256-L259 HydrophobicContact CD1-CD1 4.5Å; I256-L259 PolarHBondContact O-N 3.25Å; L259-K261 VanDerWaalsContact C-N 3.26Å; L259-K261 PolarHBondContact O-N 2.68Å; L259-L262 CarbonylContact O-C 3.54Å; L259-L262 PolarHBondContact O-N 3.33Å; L259-E263 WeakPolarHBondContact O-CB 3.45Å; L259-E263 PolarHBondContact O-N 2.92Å; L259-I274 HydrophobicContact CD2-CG1 4.31Å; L259-Y277 HydrophobicContact CD1-CD1 3.54Å; L259-Y277 HydrophobicContact CD1-CE1 3.78Å; L259-Y277 HydrophobicContact CD1-CG 4.2Å |
| 260 | N | 95.2 | Very high | 93.2 | Very high | 79 Ų | 79 | 59.3 Ų | 59.3 | 42% | 0.422 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.3 | -27.5 | 178.8 | -63.9 | -7.3 | 0 | 0 | 0 | 112.8 | I256 K258 R278 | I256-N260 WeakPolarHBondContact O-CB 3.47Å; I256-N260 PolarHBondContact O-N 2.94Å; I256-N260 PolarHBondContact O-ND2 3.29Å; I256-N260 PolarHBondContact O-OD1 3.38Å; K258-N260 VanDerWaalsContact C-N 3.33Å; K258-N260 PolarHBondContact O-N 3.29Å; N260-R278 PolarHBondContact OD1-NH2 3.27Å |
| 261 | K | 94 | Very high | 93.2 | Very high | 107 Ų | 107 | 62 Ų | 62 | 47% | 0.465 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -73.2 | -48.3 | 170 | -69.7 | 172.1 | -169.9 | 173.4 | 0 | 111.3 | E257 K258 L259 E263 N264 | E257-K261 WeakPolarHBondContact O-CG 3.48Å; E257-K261 PolarHBondContact O-N 3.32Å; E257-K261 WeakPolarHBondContact OE1-CE 3.34Å; E257-K261 IonicContact OE1-NZ 2.72Å; E257-K261 PolarHBondContact OE1-NZ 3.18Å; K258-K261 WeakPolarHBondContact O-CB 3.18Å; K258-K261 PolarHBondContact O-N 3.36Å; K258-K261 VanDerWaalsContact O-N 3.17Å; L259-K261 VanDerWaalsContact C-N 3.26Å; L259-K261 PolarHBondContact O-N 2.68Å; K261-E263 PolarHBondContact O-N 3.34Å; K261-N264 PolarHBondContact O-N 2.98Å; K261-N264 PolarHBondContact O-ND2 2.84Å |
| 262 | L | 95.3 | Very high | 93.2 | Very high | 24 Ų | 24 | 61.9 Ų | 61.9 | 13% | 0.126 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66 | -17.5 | 179.8 | -70.8 | 174.5 | 0 | 0 | 0 | 113.8 | L211 A217 K258 L259 N264 S265 I270 I274 | L211-L262 HydrophobicContact CB-CD1 4.08Å; L211-L262 HydrophobicContact CD2-CD1 3.96Å; A217-L262 HydrophobicContact CB-CD1 4.37Å; A217-L262 HydrophobicContact CB-CD2 4.06Å; K258-L262 WeakPolarHBondContact O-CG 3.5Å; K258-L262 PolarHBondContact O-N 3.4Å; L259-L262 CarbonylContact O-C 3.54Å; L259-L262 PolarHBondContact O-N 3.33Å; L262-N264 PolarHBondContact O-N 2.93Å; L262-N264 VanDerWaalsContact O-N 3.1Å; L262-S265 WeakPolarHBondContact O-CB 3.26Å; L262-S265 PolarHBondContact O-N 3.42Å; L262-I270 HydrophobicContact CB-CG2 4.12Å; L262-I274 HydrophobicContact CB-CD1 3.93Å |
| 263 | E | 92.7 | Very high | 93.5 | Very high | 84 Ų | 84 | 57.1 Ų | 57.1 | 39% | 0.393 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -16.2 | 173.5 | -167.7 | 156.9 | -154.9 | 0 | 0 | 113.3 | L259 K261 Q271 R278 | L259-E263 WeakPolarHBondContact O-CB 3.45Å; L259-E263 PolarHBondContact O-N 2.92Å; K261-E263 PolarHBondContact O-N 3.34Å; E263-Q271 PolarHBondContact O-NE2 3.23Å; E263-R278 VanDerWaalsContact CD-NH1 3.26Å; E263-R278 IonicContact OE1-CZ 3.73Å; E263-R278 IonicContact OE1-NH1 3.76Å; E263-R278 PolarHBondContact OE1-NH1 3.38Å; E263-R278 IonicContact OE1-NH2 3.67Å; E263-R278 IonicContact OE2-CZ 3.2Å; E263-R278 IonicContact OE2-NH1 2.72Å; E263-R278 PolarHBondContact OE2-NH1 3.4Å; E263-R278 IonicContact OE2-NH2 2.79Å; E263-R278 PolarHBondContact OE2-NH2 3.28Å |
| 264 | N | 90.1 | Very high | 93.6 | Very high | 136 Ų | 136 | 55.9 Ų | 55.9 | 73% | 0.727 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 5.3 | 171.1 | -58.9 | -81.1 | 0 | 0 | 0 | 113.8 | K261 L262 | K261-N264 PolarHBondContact O-N 2.98Å; K261-N264 PolarHBondContact O-ND2 2.84Å; L262-N264 PolarHBondContact O-N 2.93Å; L262-N264 VanDerWaalsContact O-N 3.1Å |
| 265 | S | 92 | Very high | 93.6 | Very high | 33 Ų | 33 | 58.7 Ų | 58.7 | 23% | 0.231 | 31% | 0.313 | C | S | . | . | trans | -68.4 | 140.5 | -178.7 | -174.3 | 0 | 0 | 0 | 0 | 112.1 | L262 D267 Q271 | L262-S265 WeakPolarHBondContact O-CB 3.26Å; L262-S265 PolarHBondContact O-N 3.42Å; S265-D267 VanDerWaalsContact C-N 3.26Å; S265-D267 WeakPolarHBondContact OG-CB 3.4Å; S265-D267 PolarHBondContact OG-N 3.28Å; S265-D267 VanDerWaalsContact OG-N 3.15Å; S265-Q271 PolarHBondContact O-NE2 2.94Å | ||
| 266 | L | 91.3 | Very high | 93.3 | Very high | 179 Ų | 179 | 59.6 Ų | 59.6 | 94% | 0.937 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -80.6 | -6.8 | 171.4 | -60.7 | 177.1 | 0 | 0 | 0 | 112.9 | A268 | L266-A268 PolarHBondContact O-N 3.15Š|
| 267 | D | 92.3 | Very high | 93.4 | Very high | 36 Ų | 36 | 56.3 Ų | 56.3 | 19% | 0.193 | 30% | 0.3 | C | S | . | . | trans | -79.7 | 111.4 | 178.1 | -171.4 | -37.7 | 0 | 0 | 0 | 110.1 | R218 S265 D269 I270 Q271 | R218-D267 IonicContact CZ-OD2 2.82Å; R218-D267 IonicContact NE-OD1 2.84Å; R218-D267 IonicContact NE-OD2 3.75Å; R218-D267 PolarHBondContact NE-OD2 3.35Å; R218-D267 IonicContact NH2-OD2 3.82Å; R218-D267 PolarHBondContact NH2-OD2 2.79Å; S265-D267 VanDerWaalsContact C-N 3.26Å; S265-D267 WeakPolarHBondContact OG-CB 3.4Å; S265-D267 PolarHBondContact OG-N 3.28Å; S265-D267 VanDerWaalsContact OG-N 3.15Å; D267-D269 VanDerWaalsContact C-N 3.26Å; D267-D269 PolarHBondContact O-N 3.01Å; D267-D269 WeakPolarHBondContact OD1-CB 3.42Å; D267-D269 PolarHBondContact OD1-N 3.12Å; D267-I270 HydrophobicContact CB-CB 4.09Å; D267-I270 HydrophobicContact CB-CD1 3.89Å; D267-I270 HydrophobicContact CB-CG1 3.88Å; D267-I270 PolarHBondContact O-N 3.03Å; D267-I270 PolarHBondContact OD1-N 3.42Å; D267-Q271 PolarHBondContact O-N 3.24Å; D267-Q271 VanDerWaalsContact O-N 3.17Å | ||
| 268 | A | 91.4 | Very high | 93.4 | Very high | 74 Ų | 74 | 54.4 Ų | 54.4 | 61% | 0.612 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -63.3 | -29.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L266 Q271 N272 | L266-A268 PolarHBondContact O-N 3.15Å; A268-Q271 PolarHBondContact O-N 3.35Å; A268-N272 WeakPolarHBondContact O-CB 3.33Å; A268-N272 PolarHBondContact O-N 3.23Å |
| 269 | D | 91.2 | Very high | 93.1 | Very high | 41 Ų | 41 | 55.4 Ų | 55.4 | 22% | 0.219 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -70.2 | -40.4 | 177 | -57.2 | -34.6 | 0 | 0 | 0 | 109.7 | R218 D267 Q271 N272 H273 K960 | R218-D269 HydrophobicContact CG-CB 4.2Å; D267-D269 VanDerWaalsContact C-N 3.26Å; D267-D269 PolarHBondContact O-N 3.01Å; D267-D269 WeakPolarHBondContact OD1-CB 3.42Å; D267-D269 PolarHBondContact OD1-N 3.12Å; D269-Q271 PolarHBondContact O-N 3.12Å; D269-N272 WeakPolarHBondContact O-CB 3.33Å; D269-N272 PolarHBondContact O-N 2.93Å; D269-H273 PolarHBondContact O-CD2 2.93Å; D269-H273 PolarHBondContact O-N 3.44Å; D269-K960 WeakPolarHBondContact OD2-CE 3.08Å; D269-K960 IonicContact OD2-NZ 3.03Å |
| 270 | I | 94.6 | Very high | 92.8 | Very high | 7 Ų | 7 | 57.3 Ų | 57.3 | 4% | 0.036 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.2 | -47.3 | 173.9 | -66.4 | -176.7 | 0 | 0 | 0 | 110.4 | R218 L221 L262 D267 N272 H273 I274 | R218-I270 HydrophobicContact CB-CD1 4.05Å; R218-I270 HydrophobicContact CB-CG1 3.76Å; R218-I270 HydrophobicContact CG-CG1 3.92Å; L221-I270 HydrophobicContact CD2-CG2 4.23Å; L262-I270 HydrophobicContact CB-CG2 4.12Å; D267-I270 HydrophobicContact CB-CB 4.09Å; D267-I270 HydrophobicContact CB-CD1 3.89Å; D267-I270 HydrophobicContact CB-CG1 3.88Å; D267-I270 PolarHBondContact O-N 3.03Å; D267-I270 PolarHBondContact OD1-N 3.42Å; I270-N272 VanDerWaalsContact C-N 3.34Å; I270-N272 PolarHBondContact O-N 3.28Å; I270-H273 PolarHBondContact O-N 2.87Å; I270-I274 HydrophobicContact CG2-CD1 3.96Å; I270-I274 HydrophobicContact CG2-CG1 4.37Å; I270-I274 WeakPolarHBondContact O-CG1 3.44Å; I270-I274 PolarHBondContact O-N 3.07Å |
| 271 | Q | 93.9 | Very high | 92.5 | Very high | 57 Ų | 57 | 54.5 Ų | 54.5 | 27% | 0.266 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 178.7 | -63.4 | -66.8 | -6.3 | 0 | 0 | 112.6 | E263 S265 D267 A268 D269 T275 | E263-Q271 PolarHBondContact O-NE2 3.23Å; S265-Q271 PolarHBondContact O-NE2 2.94Å; D267-Q271 PolarHBondContact O-N 3.24Å; D267-Q271 VanDerWaalsContact O-N 3.17Å; A268-Q271 PolarHBondContact O-N 3.35Å; D269-Q271 PolarHBondContact O-N 3.12Å; Q271-T275 PolarHBondContact O-N 2.96Å; Q271-T275 VanDerWaalsContact O-N 3.1Å; Q271-T275 PolarHBondContact O-OG1 3.49Å |
| 272 | N | 92.4 | Very high | 92.3 | Very high | 62 Ų | 62 | 51.7 Ų | 51.7 | 33% | 0.332 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.5 | -49 | 172.6 | -173.7 | 31.9 | 0 | 0 | 0 | 111 | A268 D269 I270 I274 T275 I276 | A268-N272 WeakPolarHBondContact O-CB 3.33Å; A268-N272 PolarHBondContact O-N 3.23Å; D269-N272 WeakPolarHBondContact O-CB 3.33Å; D269-N272 PolarHBondContact O-N 2.93Å; I270-N272 VanDerWaalsContact C-N 3.34Å; I270-N272 PolarHBondContact O-N 3.28Å; N272-I274 PolarHBondContact O-N 2.7Å; N272-T275 CarbonylContact O-C 3.55Å; N272-T275 WeakPolarHBondContact O-CA 3.18Å; N272-T275 WeakPolarHBondContact O-CB 3.23Å; N272-T275 PolarHBondContact O-N 3.4Å; N272-T275 VanDerWaalsContact O-N 3.1Å; N272-I276 WeakPolarHBondContact O-CG1 3.39Å; N272-I276 PolarHBondContact O-N 3.1Å |
| 273 | H | 94.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -71.1 | -27.8 | -179.1 | -74 | -67.9 | 0 | 0 | 0 | 114.8 | L221 Q222 N225 D269 I270 T275 Y277 L959 K960 F965 | L221-H273 HydrophobicContact CD2-CB 3.74Å; L221-H273 HydrophobicContact CG-CB 3.82Å; Q222-H273 VanDerWaalsContact CG-CD2 3.5Å; Q222-H273 WeakPolarHBondContact CG-CD2 3.35Å; Q222-H273 WeakPolarHBondContact CG-NE2 3.34Å; Q222-H273 PolarHBondContact NE2-NE2 3.19Å; N225-H273 PolarHBondContact ND2-O 3.27Å; D269-H273 PolarHBondContact O-CD2 2.93Å; D269-H273 PolarHBondContact O-N 3.44Å; I270-H273 PolarHBondContact O-N 2.87Å; H273-T275 VanDerWaalsContact C-N 3.33Å; H273-Y277 WeakPolarHBondContact O-CB 3.23Å; H273-Y277 PolarHBondContact O-N 3.39Å; H273-L959 PolarHBondContact CE1-O 3.43Å; H273-L959 PolarHBondContact NE2-O 3.09Å; H273-K960 PolarHBondContact NE2-O 2.85Å; H273-F965 AromaticContact CE1-CE2 3.97Å |
| 274 | I | 95.8 | Very high | 91.6 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.015 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63 | -43.9 | 167.1 | -67.4 | 170.1 | 0 | 0 | 0 | 109.6 | L221 L259 L262 I270 N272 Y277 R278 | L221-I274 HydrophobicContact CD2-CG1 3.73Å; L259-I274 HydrophobicContact CD2-CG1 4.31Å; L262-I274 HydrophobicContact CB-CD1 3.93Å; I270-I274 HydrophobicContact CG2-CD1 3.96Å; I270-I274 HydrophobicContact CG2-CG1 4.37Å; I270-I274 WeakPolarHBondContact O-CG1 3.44Å; I270-I274 PolarHBondContact O-N 3.07Å; N272-I274 PolarHBondContact O-N 2.7Å; I274-Y277 PolarHBondContact O-N 2.65Å; I274-R278 WeakPolarHBondContact O-CG 3.11Å; I274-R278 PolarHBondContact O-N 3Å |
| 275 | T | 93.4 | Very high | 91.4 | Very high | 87 Ų | 87 | 44.9 Ų | 44.9 | 53% | 0.534 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65 | -43.1 | 178.7 | -55.3 | 0 | 0 | 0 | 0 | 111.4 | Q271 N272 H273 S279 | Q271-T275 PolarHBondContact O-N 2.96Å; Q271-T275 VanDerWaalsContact O-N 3.1Å; Q271-T275 PolarHBondContact O-OG1 3.49Å; N272-T275 CarbonylContact O-C 3.55Å; N272-T275 WeakPolarHBondContact O-CA 3.18Å; N272-T275 WeakPolarHBondContact O-CB 3.23Å; N272-T275 PolarHBondContact O-N 3.4Å; N272-T275 VanDerWaalsContact O-N 3.1Å; H273-T275 VanDerWaalsContact C-N 3.33Å; T275-S279 VanDerWaalsContact O-CB 3.22Å; T275-S279 WeakPolarHBondContact O-CB 3.34Å; T275-S279 PolarHBondContact O-N 2.7Å; T275-S279 PolarHBondContact O-OG 2.96Å |
| 276 | I | 90.8 | Very high | 91 | Very high | 19 Ų | 19 | 46.1 Ų | 46.1 | 10% | 0.097 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.3 | -49.3 | 175.3 | -67.4 | 164.5 | 0 | 0 | 0 | 110.5 | N272 R278 S279 R280 F965 | N272-I276 WeakPolarHBondContact O-CG1 3.39Å; N272-I276 PolarHBondContact O-N 3.1Å; I276-R278 PolarHBondContact O-N 3.13Å; I276-S279 PolarHBondContact O-OG 2.95Å; I276-R280 HydrophobicContact CG2-CG 4.35Å; I276-R280 VanDerWaalsContact O-CB 3.32Å; I276-R280 WeakPolarHBondContact O-CB 3.27Å; I276-R280 WeakPolarHBondContact O-CG 3.44Å; I276-R280 PolarHBondContact O-N 3.06Å; I276-F965 HydrophobicContact CD1-CD2 4.04Å; I276-F965 HydrophobicContact CG2-CB 4.11Å; I276-F965 HydrophobicContact CG2-CD2 4.06Å; I276-F965 HydrophobicContact CG2-CG 4.04Å |
| 277 | Y | 94.3 | Very high | 90.6 | Very high | 5 Ų | 5 | 39.8 Ų | 39.8 | 2% | 0.02 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.7 | -53 | -179.8 | -177.3 | -87.9 | 0 | 0 | 0 | 111.8 | I224 N225 V228 R247 I255 I256 L259 H273 I274 A281 | I224-Y277 HydrophobicContact CG2-CD2 4.15Å; I224-Y277 HydrophobicContact CG2-CE2 3.94Å; N225-Y277 VanDerWaalsContact OD1-CA 3.27Å; N225-Y277 WeakPolarHBondContact OD1-CA 3.46Å; N225-Y277 WeakPolarHBondContact OD1-CB 3.42Å; N225-Y277 PolarHBondContact OD1-N 2.67Å; V228-Y277 HydrophobicContact CG1-CE2 4.39Å; V228-Y277 HydrophobicContact CG2-CD2 3.85Å; V228-Y277 HydrophobicContact CG2-CE2 3.81Å; R247-Y277 HydrophobicContact CG-CE2 4.42Å; I255-Y277 HydrophobicContact CD1-CE2 4Å; I256-Y277 HydrophobicContact CD1-CE1 4.5Å; L259-Y277 HydrophobicContact CD1-CD1 3.54Å; L259-Y277 HydrophobicContact CD1-CE1 3.78Å; L259-Y277 HydrophobicContact CD1-CG 4.2Å; H273-Y277 WeakPolarHBondContact O-CB 3.23Å; H273-Y277 PolarHBondContact O-N 3.39Å; I274-Y277 PolarHBondContact O-N 2.65Å; Y277-A281 WeakPolarHBondContact O-CB 3.17Å; Y277-A281 PolarHBondContact O-N 2.81Å |
| 278 | R | 93.9 | Very high | 90.1 | Very high | 73 Ų | 73 | 39.1 Ų | 39.1 | 28% | 0.275 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.8 | -47.1 | -177.9 | -69.9 | 176.7 | 175.4 | 167.5 | -3.8 | 111.8 | N260 E263 I274 I276 R280 A281 D282 | N260-R278 PolarHBondContact OD1-NH2 3.27Å; E263-R278 VanDerWaalsContact CD-NH1 3.26Å; E263-R278 IonicContact OE1-CZ 3.73Å; E263-R278 IonicContact OE1-NH1 3.76Å; E263-R278 PolarHBondContact OE1-NH1 3.38Å; E263-R278 IonicContact OE1-NH2 3.67Å; E263-R278 IonicContact OE2-CZ 3.2Å; E263-R278 IonicContact OE2-NH1 2.72Å; E263-R278 PolarHBondContact OE2-NH1 3.4Å; E263-R278 IonicContact OE2-NH2 2.79Å; E263-R278 PolarHBondContact OE2-NH2 3.28Å; I274-R278 WeakPolarHBondContact O-CG 3.11Å; I274-R278 PolarHBondContact O-N 3Å; I276-R278 PolarHBondContact O-N 3.13Å; R278-R280 PolarHBondContact O-N 3.49Å; R278-A281 PolarHBondContact O-N 3.2Å; R278-D282 WeakPolarHBondContact O-CB 3.48Å; R278-D282 PolarHBondContact O-N 2.99Å |
| 279 | S | 90.4 | Very high | 89.6 | Confident | 57 Ų | 57 | 36.2 Ų | 36.2 | 40% | 0.399 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -67.2 | -33.5 | -177.9 | 60.6 | 0 | 0 | 0 | 0 | 113.6 | T275 I276 Q283 | T275-S279 VanDerWaalsContact O-CB 3.22Å; T275-S279 WeakPolarHBondContact O-CB 3.34Å; T275-S279 PolarHBondContact O-N 2.7Å; T275-S279 PolarHBondContact O-OG 2.96Å; I276-S279 PolarHBondContact O-OG 2.95Å; S279-Q283 WeakPolarHBondContact O-CB 3.47Å; S279-Q283 PolarHBondContact O-N 3.45Å |
| 280 | R | 89 | Confident | 89.1 | Confident | 41 Ų | 41 | 41.4 Ų | 41.4 | 16% | 0.155 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -74.4 | -38.4 | 173.7 | -70.2 | -65.7 | -172.9 | -167.6 | 0.8 | 112.6 | N229 I276 R278 D282 Q283 D284 F965 G968 | N229-R280 WeakPolarHBondContact OD1-CB 3.5Å; I276-R280 HydrophobicContact CG2-CG 4.35Å; I276-R280 VanDerWaalsContact O-CB 3.32Å; I276-R280 WeakPolarHBondContact O-CB 3.27Å; I276-R280 WeakPolarHBondContact O-CG 3.44Å; I276-R280 PolarHBondContact O-N 3.06Å; R278-R280 PolarHBondContact O-N 3.49Å; R280-D282 VanDerWaalsContact C-N 3.34Å; R280-Q283 PolarHBondContact O-N 3.48Å; R280-D284 PolarHBondContact O-N 2.73Å; R280-F965 PolarHBondContact NH2-O 3.48Å; R280-G968 PolarHBondContact NH1-O 3Å |
| 281 | A | 90.3 | Very high | 88.3 | Confident | 19 Ų | 19 | 47.3 Ų | 47.3 | 16% | 0.157 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59 | -47.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y277 R278 Q283 D284 L285 | Y277-A281 WeakPolarHBondContact O-CB 3.17Å; Y277-A281 PolarHBondContact O-N 2.81Å; R278-A281 PolarHBondContact O-N 3.2Å; A281-Q283 VanDerWaalsContact C-N 3.34Å; A281-Q283 PolarHBondContact O-N 2.88Å; A281-D284 PolarHBondContact O-N 2.99Å; A281-L285 VanDerWaalsContact O-CG 3.3Å; A281-L285 WeakPolarHBondContact O-CG 3.35Å; A281-L285 PolarHBondContact O-N 3.27Å |
| 282 | D | 88.4 | Confident | 87.5 | Confident | 48 Ų | 48 | 47.8 Ų | 47.8 | 26% | 0.257 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.1 | -40.2 | 176.9 | -71.8 | -36.4 | 0 | 0 | 0 | 112.9 | R278 R280 D286 R980 | R278-D282 WeakPolarHBondContact O-CB 3.48Å; R278-D282 PolarHBondContact O-N 2.99Å; R280-D282 VanDerWaalsContact C-N 3.34Å; D282-D286 VanDerWaalsContact O-CG 3.31Å; D282-D286 PolarHBondContact O-N 3.28Å; D282-D286 VanDerWaalsContact O-N 3.08Å; D282-R980 VanDerWaalsContact CB-NH2 3.26Å; D282-R980 IonicContact OD1-NH1 3.77Å; D282-R980 IonicContact OD1-NH2 3.25Å; D282-R980 PolarHBondContact OD1-NH2 2.82Å; D282-R980 IonicContact OD2-CZ 3.33Å; D282-R980 IonicContact OD2-NH1 3.65Å; D282-R980 PolarHBondContact OD2-NH1 2.97Å; D282-R980 IonicContact OD2-NH2 3.51Å; D282-R980 PolarHBondContact OD2-NH2 3.22Å |
| 283 | Q | 86.1 | Confident | 86.4 | Confident | 47 Ų | 47 | 51.4 Ų | 51.4 | 22% | 0.22 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.7 | -47.4 | 177.3 | -176.6 | -177.8 | -4.3 | 0 | 0 | 111.6 | S279 R280 A281 L285 D286 D287 | S279-Q283 WeakPolarHBondContact O-CB 3.47Å; S279-Q283 PolarHBondContact O-N 3.45Å; R280-Q283 PolarHBondContact O-N 3.48Å; A281-Q283 VanDerWaalsContact C-N 3.34Å; A281-Q283 PolarHBondContact O-N 2.88Å; Q283-L285 VanDerWaalsContact C-N 3.27Å; Q283-L285 PolarHBondContact O-N 2.81Å; Q283-D286 WeakPolarHBondContact O-CB 3.27Å; Q283-D286 PolarHBondContact O-N 2.92Å; Q283-D286 VanDerWaalsContact O-N 3.12Å; Q283-D287 PolarHBondContact O-N 2.83Å |
| 284 | D | 87.7 | Confident | 85.2 | Confident | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.6 | -37.4 | 179.9 | -73.7 | -25.6 | 0 | 0 | 0 | 111.3 | I240 R243 V244 R247 R280 A281 V288 | I240-D284 HydrophobicContact CG2-CB 3.98Å; I240-D284 WeakPolarHBondContact CG2-O 3.4Å; R243-D284 IonicContact CZ-OD1 2.86Å; R243-D284 IonicContact CZ-OD2 3.94Å; R243-D284 IonicContact NE-OD1 3.29Å; R243-D284 PolarHBondContact NE-OD1 3.32Å; R243-D284 VanDerWaalsContact NE-OD1 3.14Å; R243-D284 IonicContact NE-OD2 3.89Å; R243-D284 PolarHBondContact NE-OD2 2.86Å; R243-D284 IonicContact NH2-OD1 3Å; R243-D284 PolarHBondContact NH2-OD1 2.95Å; R243-D284 IonicContact NH2-OD2 2.97Å; V244-D284 HydrophobicContact CG2-CB 4.11Å; R247-D284 IonicContact CZ-OD2 2.7Å; R247-D284 IonicContact NH1-OD2 3.22Å; R247-D284 PolarHBondContact NH1-OD2 3.3Å; R247-D284 IonicContact NH2-OD2 3.39Å; R247-D284 PolarHBondContact NH2-OD2 3.39Å; R280-D284 PolarHBondContact O-N 2.73Å; A281-D284 PolarHBondContact O-N 2.99Å; D284-V288 WeakPolarHBondContact O-CG2 3.33Å; D284-V288 PolarHBondContact O-N 3.32Å |
| 285 | L | 85.8 | Confident | 84.1 | Confident | 50 Ų | 50 | 57.9 Ų | 57.9 | 26% | 0.262 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.3 | -41.4 | 172.9 | -69.9 | 175.6 | 0 | 0 | 0 | 112.8 | A281 Q283 V288 F289 L299 | A281-L285 VanDerWaalsContact O-CG 3.3Å; A281-L285 WeakPolarHBondContact O-CG 3.35Å; A281-L285 PolarHBondContact O-N 3.27Å; Q283-L285 VanDerWaalsContact C-N 3.27Å; Q283-L285 PolarHBondContact O-N 2.81Å; L285-V288 PolarHBondContact O-N 2.74Å; L285-F289 HydrophobicContact CB-CE2 4.35Å; L285-F289 WeakPolarHBondContact O-CD2 3.41Å; L285-F289 WeakPolarHBondContact O-CG 3.44Å; L285-F289 PolarHBondContact O-N 3.33Å; L285-L299 HydrophobicContact CD2-CD1 3.4Å; L285-L299 HydrophobicContact CD2-CG 4.47Å |
| 286 | D | 83.9 | Confident | 82.9 | Confident | 60 Ų | 60 | 59.5 Ų | 59.5 | 32% | 0.321 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 177.2 | -78.8 | 13.3 | 0 | 0 | 0 | 111.5 | D282 Q283 F289 E290 K296 | D282-D286 VanDerWaalsContact O-CG 3.31Å; D282-D286 PolarHBondContact O-N 3.28Å; D282-D286 VanDerWaalsContact O-N 3.08Å; Q283-D286 WeakPolarHBondContact O-CB 3.27Å; Q283-D286 PolarHBondContact O-N 2.92Å; Q283-D286 VanDerWaalsContact O-N 3.12Å; D286-F289 PolarHBondContact O-N 3.05Å; D286-E290 PolarHBondContact O-N 3.13Å; D286-K296 WeakPolarHBondContact OD1-CE 3.43Å; D286-K296 IonicContact OD1-NZ 2.79Å; D286-K296 PolarHBondContact OD1-NZ 3.47Å; D286-K296 IonicContact OD2-NZ 3.65Å; D286-K296 PolarHBondContact OD2-NZ 2.91Å |
| 287 | D | 83.2 | Confident | 82.1 | Confident | 46 Ų | 46 | 59.7 Ų | 59.7 | 25% | 0.246 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.4 | -38 | 176.9 | -66.8 | -22.3 | 0 | 0 | 0 | 111.5 | I240 Q283 R291 | I240-D287 HydrophobicContact CD1-CB 3.96Å; Q283-D287 PolarHBondContact O-N 2.83Å; D287-R291 WeakPolarHBondContact O-CB 3.4Å; D287-R291 PolarHBondContact O-N 3.03Å |
| 288 | V | 80.9 | Confident | 81.2 | Confident | 21 Ų | 21 | 63 Ų | 63 | 13% | 0.127 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.5 | -46.5 | 172.1 | 168.5 | 0 | 0 | 0 | 0 | 111.9 | I240 V244 D284 L285 E290 R291 L292 | I240-V288 HydrophobicContact CG2-CG2 3.64Å; V244-V288 HydrophobicContact CG2-CG2 4.38Å; D284-V288 WeakPolarHBondContact O-CG2 3.33Å; D284-V288 PolarHBondContact O-N 3.32Å; L285-V288 PolarHBondContact O-N 2.74Å; V288-E290 VanDerWaalsContact C-N 3.34Å; V288-E290 PolarHBondContact O-N 2.98Å; V288-R291 WeakPolarHBondContact O-CB 3.2Å; V288-R291 PolarHBondContact O-N 3.24Å; V288-L292 HydrophobicContact CG1-CD1 3.92Å; V288-L292 WeakPolarHBondContact O-CG 3.48Å; V288-L292 PolarHBondContact O-N 2.94Å; V288-L292 VanDerWaalsContact O-N 3.08Å |
| 289 | F | 80.9 | Confident | 80.4 | Confident | 13 Ų | 13 | 62.8 Ų | 62.8 | 6% | 0.057 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.2 | -33.9 | -178.9 | -72 | -53.7 | 0 | 0 | 0 | 112.6 | L285 D286 L292 D293 S294 K296 C297 L299 I308 | L285-F289 HydrophobicContact CB-CE2 4.35Å; L285-F289 WeakPolarHBondContact O-CD2 3.41Å; L285-F289 WeakPolarHBondContact O-CG 3.44Å; L285-F289 PolarHBondContact O-N 3.33Å; D286-F289 PolarHBondContact O-N 3.05Å; F289-L292 PolarHBondContact O-N 2.77Å; F289-D293 PolarHBondContact O-N 3.19Å; F289-S294 WeakPolarHBondContact CD1-OG 3.45Å; F289-S294 PolarHBondContact O-N 3.2Å; F289-S294 VanDerWaalsContact O-N 3.1Å; F289-S294 PolarHBondContact O-OG 3.1Å; F289-K296 HydrophobicContact CD2-CB 4.06Å; F289-K296 HydrophobicContact CD2-CG 3.87Å; F289-K296 HydrophobicContact CE2-CB 4.16Å; F289-K296 HydrophobicContact CE2-CG 4.41Å; F289-K296 HydrophobicContact CG-CG 4.38Å; F289-C297 HydrophobicContact CE1-CB 4.45Å; F289-C297 WeakPolarHBondContact CZ-O 3.3Å; F289-L299 HydrophobicContact CE1-CD2 4.18Å; F289-L299 HydrophobicContact CZ-CD2 4.01Å; F289-L299 HydrophobicContact CZ-CG 4.11Å; F289-I308 HydrophobicContact CE1-CD1 4.46Å |
| 290 | E | 80.8 | Confident | 79.7 | Confident | 151 Ų | 151 | 67.2 Ų | 67.2 | 71% | 0.706 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -65.1 | -43.6 | 171.4 | -176.3 | 159.9 | -178.2 | 0 | 0 | 111.2 | D286 V288 L292 D293 | D286-E290 PolarHBondContact O-N 3.13Å; V288-E290 VanDerWaalsContact C-N 3.34Å; V288-E290 PolarHBondContact O-N 2.98Å; E290-L292 PolarHBondContact O-N 3.2Å; E290-D293 PolarHBondContact O-N 3.48Å |
| 291 | R | 78.5 | Confident | 79.4 | Confident | 131 Ų | 131 | 67.6 Ų | 67.6 | 49% | 0.494 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60 | -30.7 | 174.7 | -169.7 | 175.5 | 73.3 | 171 | 8.3 | 113.3 | S237 D241 D287 V288 | S237-R291 PolarHBondContact O-NH1 2.9Å; D241-R291 IonicContact OD1-CZ 3.95Å; D241-R291 IonicContact OD1-NH1 3.92Å; D241-R291 IonicContact OD1-NH2 2.6Å; D241-R291 PolarHBondContact OD1-NH2 2.95Å; D241-R291 IonicContact OD2-CZ 2.71Å; D241-R291 VanDerWaalsContact OD2-CZ 3.23Å; D241-R291 IonicContact OD2-NH1 2.9Å; D241-R291 PolarHBondContact OD2-NH1 3.06Å; D241-R291 IonicContact OD2-NH2 3.87Å; D241-R291 PolarHBondContact OD2-NH2 3.22Å; D287-R291 WeakPolarHBondContact O-CB 3.4Å; D287-R291 PolarHBondContact O-N 3.03Å; V288-R291 WeakPolarHBondContact O-CB 3.2Å; V288-R291 PolarHBondContact O-N 3.24Å |
| 292 | L | 76.3 | Confident | 79.3 | Confident | 66 Ų | 66 | 70.2 Ų | 70.2 | 35% | 0.346 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 2.9 | -179.9 | -67.7 | 175.4 | 0 | 0 | 0 | 114.8 | V288 F289 E290 S294 R311 | V288-L292 HydrophobicContact CG1-CD1 3.92Å; V288-L292 WeakPolarHBondContact O-CG 3.48Å; V288-L292 PolarHBondContact O-N 2.94Å; V288-L292 VanDerWaalsContact O-N 3.08Å; F289-L292 PolarHBondContact O-N 2.77Å; E290-L292 PolarHBondContact O-N 3.2Å; L292-S294 WeakPolarHBondContact CB-OG 3.3Å; L292-S294 PolarHBondContact O-N 2.66Å; L292-R311 PolarHBondContact O-NH2 3.19Å |
| 293 | D | 70.2 | Confident | 79.3 | Confident | 138 Ų | 138 | 73.1 Ų | 73.1 | 74% | 0.738 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.1 | 46.3 | -170.9 | -169.7 | 28.2 | 0 | 0 | 0 | 112.4 | F289 E290 R311 | F289-D293 PolarHBondContact O-N 3.19Å; E290-D293 PolarHBondContact O-N 3.48Å; D293-R311 PolarHBondContact O-NH1 3.38Å; D293-R311 PolarHBondContact O-NH2 3.04Å |
| 294 | S | 69 | Low | 79.3 | Confident | 18 Ų | 18 | 74.2 Ų | 74.2 | 13% | 0.126 | 39% | 0.391 | C | S | . | . | trans | -121.7 | 148.4 | -167.4 | 63.8 | 0 | 0 | 0 | 0 | 112.2 | F289 L292 | F289-S294 WeakPolarHBondContact CD1-OG 3.45Å; F289-S294 PolarHBondContact O-N 3.2Å; F289-S294 VanDerWaalsContact O-N 3.1Å; F289-S294 PolarHBondContact O-OG 3.1Å; L292-S294 WeakPolarHBondContact CB-OG 3.3Å; L292-S294 PolarHBondContact O-N 2.66Å | ||
| 295 | V | 72.3 | Confident | 79.3 | Confident | 122 Ų | 122 | 76.9 Ų | 76.9 | 74% | 0.739 | 40% | 0.404 | S | S | * | . | trans | -72.4 | 132.3 | 170.6 | -178.3 | 0 | 0 | 0 | 0 | 107.1 | C297 | V295-C297 PolarHBondContact O-N 3.19Å; V295-C297 VanDerWaalsContact O-N 3.14Å | ||
| 296 | K | 69.5 | Low | 79.5 | Confident | 120 Ų | 120 | 78.5 Ų | 78.5 | 52% | 0.522 | 41% | 0.41 | S | S | . | . | trans | -46.7 | 122.8 | 174.7 | -58.4 | -168.2 | -174.8 | -167.9 | 0 | 110 | D286 F289 | D286-K296 WeakPolarHBondContact OD1-CE 3.43Å; D286-K296 IonicContact OD1-NZ 2.79Å; D286-K296 PolarHBondContact OD1-NZ 3.47Å; D286-K296 IonicContact OD2-NZ 3.65Å; D286-K296 PolarHBondContact OD2-NZ 2.91Å; F289-K296 HydrophobicContact CD2-CB 4.06Å; F289-K296 HydrophobicContact CD2-CG 3.87Å; F289-K296 HydrophobicContact CE2-CB 4.16Å; F289-K296 HydrophobicContact CE2-CG 4.41Å; F289-K296 HydrophobicContact CG-CG 4.38Å | ||
| 297 | C | 73.8 | Confident | 79.7 | Confident | 24 Ų | 24 | 81.5 Ų | 81.5 | 16% | 0.162 | 42% | 0.422 | C | S | . | . | trans | -117 | 170.9 | 178.5 | 79.7 | 0 | 0 | 0 | 0 | 110.3 | F289 V295 Q304 I308 | F289-C297 HydrophobicContact CE1-CB 4.45Å; F289-C297 WeakPolarHBondContact CZ-O 3.3Å; V295-C297 PolarHBondContact O-N 3.19Å; V295-C297 VanDerWaalsContact O-N 3.14Å; C297-Q304 HydrophobicContact CB-CB 4.01Å; C297-I308 HydrophobicContact CB-CD1 3.82Å; C297-I308 WeakPolarHBondContact SG-CD1 3.19Å | ||
| 298 | D | 73.8 | Confident | 79.8 | Confident | 74 Ų | 74 | 80.6 Ų | 80.6 | 40% | 0.396 | 42% | 0.416 | S | S | . | . | trans | -74.9 | 126.4 | 163.6 | -162.3 | -14.9 | 0 | 0 | 0 | 109 | D300 D301 | D298-D300 VanDerWaalsContact C-N 3.34Å; D298-D300 WeakPolarHBondContact OD1-CB 3.38Å; D298-D300 PolarHBondContact OD1-N 3.09Å; D298-D301 HydrophobicContact CB-CB 4.05Å | ||
| 299 | L | 77.5 | Confident | 80.2 | Confident | 69 Ų | 69 | 83.1 Ų | 83.1 | 36% | 0.361 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -85.3 | -10 | 172.8 | -67.1 | -172.2 | 0 | 0 | 0 | 112.2 | L285 F289 D301 I305 | L285-L299 HydrophobicContact CD2-CD1 3.4Å; L285-L299 HydrophobicContact CD2-CG 4.47Å; F289-L299 HydrophobicContact CE1-CD2 4.18Å; F289-L299 HydrophobicContact CZ-CD2 4.01Å; F289-L299 HydrophobicContact CZ-CG 4.11Å; L299-D301 VanDerWaalsContact C-N 3.32Å; L299-I305 HydrophobicContact CB-CD1 4.48Å; L299-I305 HydrophobicContact CD2-CD1 4.28Å; L299-I305 HydrophobicContact CD2-CG1 4.08Å; L299-I305 WeakPolarHBondContact O-CD1 3.45Å |
| 300 | D | 76.3 | Confident | 80.5 | Confident | 150 Ų | 150 | 86.2 Ų | 86.2 | 80% | 0.802 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -84.6 | -8.2 | 170.7 | -62.2 | -38.5 | 0 | 0 | 0 | 111.7 | D298 | D298-D300 VanDerWaalsContact C-N 3.34Å; D298-D300 WeakPolarHBondContact OD1-CB 3.38Å; D298-D300 PolarHBondContact OD1-N 3.09Å |
| 301 | D | 83.4 | Confident | 80.8 | Confident | 48 Ų | 48 | 85.2 Ų | 85.2 | 26% | 0.257 | 43% | 0.433 | S | S | . | . | trans | -98.9 | 103.8 | 174.7 | -174.3 | -7.5 | 0 | 0 | 0 | 112.6 | D298 L299 N303 Q304 I305 | D298-D301 HydrophobicContact CB-CB 4.05Å; L299-D301 VanDerWaalsContact C-N 3.32Å; D301-N303 PolarHBondContact O-N 2.55Å; D301-N303 VanDerWaalsContact O-N 3.12Å; D301-N303 WeakPolarHBondContact OD1-CB 3.46Å; D301-N303 PolarHBondContact OD1-N 2.89Å; D301-N303 PolarHBondContact OD1-ND2 3.4Å; D301-N303 VanDerWaalsContact OD1-ND2 3.07Å; D301-Q304 HydrophobicContact CB-CB 4.16Å; D301-Q304 HydrophobicContact CB-CG 4.11Å; D301-Q304 PolarHBondContact O-N 3.49Å; D301-Q304 WeakPolarHBondContact OD2-CG 3.49Å; D301-Q304 PolarHBondContact OD2-NE2 2.7Å; D301-I305 PolarHBondContact O-N 2.83Å; D301-I305 VanDerWaalsContact O-N 3.15Å | ||
| 302 | A | 86.4 | Confident | 81.1 | Confident | 75 Ų | 75 | 82 Ų | 82 | 62% | 0.62 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -55.2 | -29.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | F306 | A302-F306 WeakPolarHBondContact O-CB 3.36Å; A302-F306 PolarHBondContact O-N 2.74Å |
| 303 | N | 88.8 | Confident | 81.8 | Confident | 109 Ų | 109 | 80.3 Ų | 80.3 | 58% | 0.583 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -73.5 | -38.6 | 177.9 | -57.2 | -79.4 | 0 | 0 | 0 | 111.4 | D301 F306 H307 | D301-N303 PolarHBondContact O-N 2.55Å; D301-N303 VanDerWaalsContact O-N 3.12Å; D301-N303 WeakPolarHBondContact OD1-CB 3.46Å; D301-N303 PolarHBondContact OD1-N 2.89Å; D301-N303 PolarHBondContact OD1-ND2 3.4Å; D301-N303 VanDerWaalsContact OD1-ND2 3.07Å; N303-F306 PolarHBondContact O-N 3.44Å; N303-H307 WeakPolarHBondContact O-CB 3.49Å; N303-H307 PolarHBondContact O-CD2 3.13Å; N303-H307 PolarHBondContact O-N 2.96Å |
| 304 | Q | 87.2 | Confident | 82.6 | Confident | 69 Ų | 69 | 78 Ų | 78 | 32% | 0.322 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66 | -45.4 | 177.5 | -72.7 | 178.1 | 63.8 | 0 | 0 | 110.7 | C297 D301 F306 H307 I308 | C297-Q304 HydrophobicContact CB-CB 4.01Å; D301-Q304 HydrophobicContact CB-CB 4.16Å; D301-Q304 HydrophobicContact CB-CG 4.11Å; D301-Q304 PolarHBondContact O-N 3.49Å; D301-Q304 WeakPolarHBondContact OD2-CG 3.49Å; D301-Q304 PolarHBondContact OD2-NE2 2.7Å; Q304-F306 PolarHBondContact O-N 2.93Å; Q304-H307 PolarHBondContact O-N 3.2Å; Q304-I308 WeakPolarHBondContact O-CG1 3.27Å; Q304-I308 PolarHBondContact O-N 2.8Å |
| 305 | I | 86.9 | Confident | 83.5 | Confident | 60 Ų | 60 | 80.6 Ų | 80.6 | 31% | 0.308 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -57.3 | -49.3 | 172.8 | -68.4 | 173.1 | 0 | 0 | 0 | 110.9 | L299 D301 H307 I308 L309 | L299-I305 HydrophobicContact CB-CD1 4.48Å; L299-I305 HydrophobicContact CD2-CD1 4.28Å; L299-I305 HydrophobicContact CD2-CG1 4.08Å; L299-I305 WeakPolarHBondContact O-CD1 3.45Å; D301-I305 PolarHBondContact O-N 2.83Å; D301-I305 VanDerWaalsContact O-N 3.15Å; I305-H307 VanDerWaalsContact C-N 3.32Å; I305-H307 PolarHBondContact O-N 2.86Å; I305-I308 PolarHBondContact O-N 2.96Å; I305-L309 HydrophobicContact CG2-CD1 3.89Å; I305-L309 HydrophobicContact CG2-CG 4.35Å; I305-L309 WeakPolarHBondContact O-CG 3.27Å; I305-L309 PolarHBondContact O-N 3.37Å |
| 306 | F | 89.9 | Confident | 84.3 | Confident | 84 Ų | 84 | 77 Ų | 77 | 37% | 0.368 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58.7 | -42.4 | 179 | 178.7 | -96.3 | 0 | 0 | 0 | 112.4 | A302 N303 Q304 L309 H310 F322 L326 | A302-F306 WeakPolarHBondContact O-CB 3.36Å; A302-F306 PolarHBondContact O-N 2.74Å; N303-F306 PolarHBondContact O-N 3.44Å; Q304-F306 PolarHBondContact O-N 2.93Å; F306-L309 PolarHBondContact O-N 3.34Å; F306-H310 VanDerWaalsContact O-CB 3.28Å; F306-H310 WeakPolarHBondContact O-CB 3.43Å; F306-H310 PolarHBondContact O-N 3.13Å; F306-F322 HydrophobicContact CE2-CZ 4.23Å; F306-L326 HydrophobicContact CE2-CD1 3.89Å; F306-L326 HydrophobicContact CE2-CD2 4.2Å; F306-L326 HydrophobicContact CZ-CD1 4.39Å |
| 307 | H | 88.1 | Confident | 85.1 | Confident | 124 Ų | 124 | 79.6 Ų | 79.6 | 57% | 0.574 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -66.1 | -35.7 | 177.4 | -78.7 | -52.7 | 0 | 0 | 0 | 113.2 | N303 Q304 I305 R311 | N303-H307 WeakPolarHBondContact O-CB 3.49Å; N303-H307 PolarHBondContact O-CD2 3.13Å; N303-H307 PolarHBondContact O-N 2.96Å; Q304-H307 PolarHBondContact O-N 3.2Å; I305-H307 VanDerWaalsContact C-N 3.32Å; I305-H307 PolarHBondContact O-N 2.86Å; H307-R311 VanDerWaalsContact O-CB 3.28Å; H307-R311 WeakPolarHBondContact O-CB 3.45Å; H307-R311 PolarHBondContact O-N 3.43Å |
| 308 | I | 86.1 | Confident | 85.9 | Confident | 26 Ų | 26 | 81.7 Ų | 81.7 | 13% | 0.133 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -65.4 | -51.2 | 173.4 | -69.9 | 174 | 0 | 0 | 0 | 110.4 | F289 C297 Q304 I305 H310 R311 T312 | F289-I308 HydrophobicContact CE1-CD1 4.46Å; C297-I308 HydrophobicContact CB-CD1 3.82Å; C297-I308 WeakPolarHBondContact SG-CD1 3.19Å; Q304-I308 WeakPolarHBondContact O-CG1 3.27Å; Q304-I308 PolarHBondContact O-N 2.8Å; I305-I308 PolarHBondContact O-N 2.96Å; I308-H310 PolarHBondContact O-N 3.36Å; I308-R311 PolarHBondContact O-N 3.12Å; I308-R311 VanDerWaalsContact O-N 3.12Å; I308-T312 HydrophobicContact CG2-CG2 4.48Å; I308-T312 PolarHBondContact O-N 2.71Å; I308-T312 PolarHBondContact O-OG1 2.9Å |
| 309 | L | 87.9 | Confident | 86.8 | Confident | 75 Ų | 75 | 81.3 Ų | 81.3 | 39% | 0.393 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -57.8 | -45.7 | 178.4 | -70.6 | 172.9 | 0 | 0 | 0 | 112 | I305 F306 R311 T312 I313 F322 | I305-L309 HydrophobicContact CG2-CD1 3.89Å; I305-L309 HydrophobicContact CG2-CG 4.35Å; I305-L309 WeakPolarHBondContact O-CG 3.27Å; I305-L309 PolarHBondContact O-N 3.37Å; F306-L309 PolarHBondContact O-N 3.34Å; L309-R311 PolarHBondContact O-N 3.47Å; L309-T312 PolarHBondContact O-N 2.69Å; L309-T312 PolarHBondContact O-OG1 3.45Å; L309-T312 VanDerWaalsContact O-OG1 3.13Å; L309-I313 HydrophobicContact CB-CD1 4.48Å; L309-I313 VanDerWaalsContact O-CB 3.26Å; L309-I313 WeakPolarHBondContact O-CB 3.21Å; L309-I313 WeakPolarHBondContact O-CD1 3.4Å; L309-I313 WeakPolarHBondContact O-CG1 3.5Å; L309-I313 PolarHBondContact O-N 3.2Å; L309-F322 HydrophobicContact CB-CE2 4.41Å; L309-F322 HydrophobicContact CB-CZ 4.21Å |
| 310 | H | 88.7 | Confident | 87.5 | Confident | 78 Ų | 78 | 86.3 Ų | 86.3 | 36% | 0.361 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.5 | -46.9 | 175.3 | -175.8 | -88.9 | 0 | 0 | 0 | 110.9 | F306 I308 T312 I313 M314 | F306-H310 VanDerWaalsContact O-CB 3.28Å; F306-H310 WeakPolarHBondContact O-CB 3.43Å; F306-H310 PolarHBondContact O-N 3.13Å; I308-H310 PolarHBondContact O-N 3.36Å; H310-T312 PolarHBondContact O-N 3.07Å; H310-I313 PolarHBondContact O-N 3.39Å; H310-M314 VanDerWaalsContact CE1-CG 3.48Å; H310-M314 WeakPolarHBondContact CE1-CG 3.49Å; H310-M314 WeakPolarHBondContact O-CB 3.41Å; H310-M314 WeakPolarHBondContact O-CG 3.46Å; H310-M314 PolarHBondContact O-N 3.02Å |
| 311 | R | 86.6 | Confident | 88.2 | Confident | 129 Ų | 129 | 85.5 Ų | 85.5 | 49% | 0.487 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.6 | -36.3 | -179.9 | -171.4 | -170 | 67.7 | 136.5 | 14.8 | 113.2 | L292 D293 H307 I308 L309 | L292-R311 PolarHBondContact O-NH2 3.19Å; D293-R311 PolarHBondContact O-NH1 3.38Å; D293-R311 PolarHBondContact O-NH2 3.04Å; H307-R311 VanDerWaalsContact O-CB 3.28Å; H307-R311 WeakPolarHBondContact O-CB 3.45Å; H307-R311 PolarHBondContact O-N 3.43Å; I308-R311 PolarHBondContact O-N 3.12Å; I308-R311 VanDerWaalsContact O-N 3.12Å; L309-R311 PolarHBondContact O-N 3.47Å |
| 312 | T | 85.4 | Confident | 88.7 | Confident | 63 Ų | 63 | 84.7 Ų | 84.7 | 39% | 0.387 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -80.3 | -25 | 179.8 | 54.5 | 0 | 0 | 0 | 0 | 113.3 | I308 L309 H310 | I308-T312 HydrophobicContact CG2-CG2 4.48Å; I308-T312 PolarHBondContact O-N 2.71Å; I308-T312 PolarHBondContact O-OG1 2.9Å; L309-T312 PolarHBondContact O-N 2.69Å; L309-T312 PolarHBondContact O-OG1 3.45Å; L309-T312 VanDerWaalsContact O-OG1 3.13Å; H310-T312 PolarHBondContact O-N 3.07Å |
| 313 | I | 89.7 | Confident | 89 | Confident | 32 Ų | 32 | 85.6 Ų | 85.6 | 16% | 0.164 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -95.1 | -32.8 | -175.4 | -66.4 | 170.2 | 0 | 0 | 0 | 113.2 | L309 H310 G315 S316 E319 F322 | L309-I313 HydrophobicContact CB-CD1 4.48Å; L309-I313 VanDerWaalsContact O-CB 3.26Å; L309-I313 WeakPolarHBondContact O-CB 3.21Å; L309-I313 WeakPolarHBondContact O-CD1 3.4Å; L309-I313 WeakPolarHBondContact O-CG1 3.5Å; L309-I313 PolarHBondContact O-N 3.2Å; H310-I313 PolarHBondContact O-N 3.39Å; I313-G315 PolarHBondContact O-N 2.68Å; I313-S316 VanDerWaalsContact O-CB 3.23Å; I313-S316 WeakPolarHBondContact O-CB 3.16Å; I313-S316 PolarHBondContact O-N 3.43Å; I313-S316 PolarHBondContact O-OG 3Å; I313-E319 HydrophobicContact CG2-CB 4.44Å; I313-F322 HydrophobicContact CB-CD1 4.44Å; I313-F322 HydrophobicContact CD1-CB 4.16Å; I313-F322 HydrophobicContact CD1-CD1 4.17Å; I313-F322 HydrophobicContact CD1-CD2 3.54Å; I313-F322 HydrophobicContact CD1-CE1 4.45Å; I313-F322 HydrophobicContact CD1-CE2 3.88Å; I313-F322 HydrophobicContact CD1-CG 3.7Å; I313-F322 HydrophobicContact CD1-CZ 4.31Å; I313-F322 HydrophobicContact CG2-CB 3.68Å; I313-F322 HydrophobicContact CG2-CD1 3.97Å; I313-F322 HydrophobicContact CG2-CG 3.95Å |
| 314 | M | 88.4 | Confident | 89.3 | Confident | 88 Ų | 88 | 82.4 Ų | 82.4 | 43% | 0.433 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 132 | -177.9 | -73.5 | -59.4 | -60.4 | 0 | 0 | 112.1 | H310 S316 E319 | H310-M314 VanDerWaalsContact CE1-CG 3.48Å; H310-M314 WeakPolarHBondContact CE1-CG 3.49Å; H310-M314 WeakPolarHBondContact O-CB 3.41Å; H310-M314 WeakPolarHBondContact O-CG 3.46Å; H310-M314 PolarHBondContact O-N 3.02Å; M314-S316 VanDerWaalsContact C-N 3.32Å; M314-E319 VanDerWaalsContact CE-CD 3.47Å; M314-E319 HydrophobicContact CE-CG 4.3Å; M314-E319 WeakPolarHBondContact CE-OE1 3.46Å; M314-E319 HydrophobicContact SD-CG 3.76Å |
| 315 | G | 87.3 | Confident | 89.6 | Confident | 74 Ų | 74 | 83.2 Ų | 83.2 | 76% | 0.763 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.6 | -5.4 | -174 | 0 | 0 | 0 | 0 | 0 | 115 | I313 E319 | I313-G315 PolarHBondContact O-N 2.68Å; G315-E319 PolarHBondContact N-OE2 2.93Å |
| 316 | S | 89.7 | Confident | 89.9 | Confident | 47 Ų | 47 | 82.8 Ų | 82.8 | 33% | 0.329 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -87.1 | 163.6 | 177.1 | 78 | 0 | 0 | 0 | 0 | 112.9 | I313 M314 S318 E319 | I313-S316 VanDerWaalsContact O-CB 3.23Å; I313-S316 WeakPolarHBondContact O-CB 3.16Å; I313-S316 PolarHBondContact O-N 3.43Å; I313-S316 PolarHBondContact O-OG 3Å; M314-S316 VanDerWaalsContact C-N 3.32Å; S316-S318 PolarHBondContact O-N 2.72Å; S316-S318 VanDerWaalsContact O-N 3.1Å; S316-S318 WeakPolarHBondContact OG-CB 3.34Å; S316-S318 PolarHBondContact OG-N 2.68Å; S316-S318 VanDerWaalsContact OG-N 3.13Å; S316-E319 WeakPolarHBondContact O-CB 3.37Å; S316-E319 PolarHBondContact O-N 3.17Å; S316-E319 PolarHBondContact OG-N 2.8Å |
| 317 | K | 86.5 | Confident | 90.2 | Very high | 174 Ų | 174 | 83.2 Ų | 83.2 | 76% | 0.757 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -19.7 | 169 | -69.5 | -170.1 | 176 | -169.8 | 0 | 112.5 | D387 | K317-D387 IonicContact NZ-OD2 3.29Š|
| 318 | S | 89.4 | Confident | 90.5 | Very high | 67 Ų | 67 | 82.9 Ų | 82.9 | 47% | 0.469 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -13.3 | -177.8 | -53.2 | 0 | 0 | 0 | 0 | 114.3 | S316 K320 H321 F322 | S316-S318 PolarHBondContact O-N 2.72Å; S316-S318 VanDerWaalsContact O-N 3.1Å; S316-S318 WeakPolarHBondContact OG-CB 3.34Å; S316-S318 PolarHBondContact OG-N 2.68Å; S316-S318 VanDerWaalsContact OG-N 3.13Å; S318-K320 VanDerWaalsContact C-N 3.31Å; S318-K320 PolarHBondContact O-N 3.26Å; S318-H321 WeakPolarHBondContact O-CB 3.41Å; S318-H321 PolarHBondContact O-N 2.85Å; S318-F322 PolarHBondContact O-N 3.25Å |
| 319 | E | 93 | Very high | 90.8 | Very high | 67 Ų | 67 | 85.1 Ų | 85.1 | 31% | 0.313 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -52.6 | -44.1 | -174.5 | -173.3 | -175.9 | 133.7 | 0 | 0 | 113.5 | I313 M314 G315 S316 H321 F322 L323 | I313-E319 HydrophobicContact CG2-CB 4.44Å; M314-E319 VanDerWaalsContact CE-CD 3.47Å; M314-E319 HydrophobicContact CE-CG 4.3Å; M314-E319 WeakPolarHBondContact CE-OE1 3.46Å; M314-E319 HydrophobicContact SD-CG 3.76Å; G315-E319 PolarHBondContact N-OE2 2.93Å; S316-E319 WeakPolarHBondContact O-CB 3.37Å; S316-E319 PolarHBondContact O-N 3.17Å; S316-E319 PolarHBondContact OG-N 2.8Å; E319-H321 VanDerWaalsContact C-N 3.34Å; E319-H321 PolarHBondContact O-N 3.42Å; E319-F322 PolarHBondContact O-N 3.43Å; E319-L323 PolarHBondContact O-N 3.22Å |
| 320 | K | 91.8 | Very high | 91.1 | Very high | 174 Ų | 174 | 88.5 Ų | 88.5 | 76% | 0.757 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -64.5 | -36.9 | 178.5 | -66.2 | -179.1 | -179.6 | 176.9 | 0 | 112.8 | S318 S324 | S318-K320 VanDerWaalsContact C-N 3.31Å; S318-K320 PolarHBondContact O-N 3.26Å; K320-S324 WeakPolarHBondContact O-CB 3.29Å; K320-S324 PolarHBondContact O-N 2.97Å |
| 321 | H | 90.5 | Very high | 91.3 | Very high | 133 Ų | 133 | 92.4 Ų | 92.4 | 62% | 0.616 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -71.2 | -42.8 | 178.2 | -61.6 | 98.4 | 0 | 0 | 0 | 110.5 | S318 E319 S324 I325 | S318-H321 WeakPolarHBondContact O-CB 3.41Å; S318-H321 PolarHBondContact O-N 2.85Å; E319-H321 VanDerWaalsContact C-N 3.34Å; E319-H321 PolarHBondContact O-N 3.42Å; H321-S324 WeakPolarHBondContact O-CB 3.47Å; H321-S324 PolarHBondContact O-N 3.45Å; H321-I325 WeakPolarHBondContact O-CG1 3.4Å; H321-I325 PolarHBondContact O-N 2.89Å |
| 322 | F | 94 | Very high | 91.5 | Very high | 31 Ų | 31 | 87.3 Ų | 87.3 | 14% | 0.136 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -61 | -47.6 | 174.5 | 178.9 | -114.7 | 0 | 0 | 0 | 112.4 | F306 L309 I313 S318 E319 S324 I325 L326 | F306-F322 HydrophobicContact CE2-CZ 4.23Å; L309-F322 HydrophobicContact CB-CE2 4.41Å; L309-F322 HydrophobicContact CB-CZ 4.21Å; I313-F322 HydrophobicContact CB-CD1 4.44Å; I313-F322 HydrophobicContact CD1-CB 4.16Å; I313-F322 HydrophobicContact CD1-CD1 4.17Å; I313-F322 HydrophobicContact CD1-CD2 3.54Å; I313-F322 HydrophobicContact CD1-CE1 4.45Å; I313-F322 HydrophobicContact CD1-CE2 3.88Å; I313-F322 HydrophobicContact CD1-CG 3.7Å; I313-F322 HydrophobicContact CD1-CZ 4.31Å; I313-F322 HydrophobicContact CG2-CB 3.68Å; I313-F322 HydrophobicContact CG2-CD1 3.97Å; I313-F322 HydrophobicContact CG2-CG 3.95Å; S318-F322 PolarHBondContact O-N 3.25Å; E319-F322 PolarHBondContact O-N 3.43Å; F322-S324 VanDerWaalsContact C-N 3.27Å; F322-S324 PolarHBondContact O-N 3.3Å; F322-I325 PolarHBondContact O-N 3.38Å; F322-I325 VanDerWaalsContact O-N 3.17Å; F322-L326 HydrophobicContact CD1-CD1 4.12Å; F322-L326 HydrophobicContact CE1-CD1 3.68Å; F322-L326 HydrophobicContact CE1-CG 4.49Å; F322-L326 HydrophobicContact CE2-CD1 4.39Å; F322-L326 HydrophobicContact CE2-CD2 4.44Å; F322-L326 HydrophobicContact CE2-CG 4.39Å; F322-L326 HydrophobicContact CZ-CD1 3.84Å; F322-L326 HydrophobicContact CZ-CD2 4.42Å; F322-L326 HydrophobicContact CZ-CG 4.31Å; F322-L326 WeakPolarHBondContact O-CG 3.4Å; F322-L326 PolarHBondContact O-N 3.02Å |
| 323 | L | 93.1 | Very high | 91.7 | Very high | 94 Ų | 94 | 90.2 Ų | 90.2 | 49% | 0.492 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -57.7 | -41.6 | 173.3 | 176.8 | 60.4 | 0 | 0 | 0 | 111.6 | E319 L326 Q327 | E319-L323 PolarHBondContact O-N 3.22Å; L323-L326 PolarHBondContact O-N 3.04Å; L323-Q327 HydrophobicContact CD1-CG 4.42Å; L323-Q327 VanDerWaalsContact O-CG 3.27Å; L323-Q327 WeakPolarHBondContact O-CG 3.22Å; L323-Q327 PolarHBondContact O-N 2.91Å |
| 324 | S | 94.2 | Very high | 91.6 | Very high | 42 Ų | 42 | 93.9 Ų | 93.9 | 29% | 0.294 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 176.6 | -166.2 | 0 | 0 | 0 | 0 | 112.1 | K320 H321 F322 L326 Q327 H328 | K320-S324 WeakPolarHBondContact O-CB 3.29Å; K320-S324 PolarHBondContact O-N 2.97Å; H321-S324 WeakPolarHBondContact O-CB 3.47Å; H321-S324 PolarHBondContact O-N 3.45Å; F322-S324 VanDerWaalsContact C-N 3.27Å; F322-S324 PolarHBondContact O-N 3.3Å; S324-L326 PolarHBondContact O-N 3.33Å; S324-Q327 WeakPolarHBondContact O-CB 3.28Å; S324-Q327 PolarHBondContact O-N 3.29Å; S324-H328 PolarHBondContact O-N 3.41Å; S324-H328 PolarHBondContact O-ND1 3.17Å; S324-H328 PolarHBondContact OG-CE1 2.91Å; S324-H328 PolarHBondContact OG-ND1 3.09Å |
| 325 | I | 94.7 | Very high | 91.6 | Very high | 86 Ų | 86 | 95.6 Ų | 95.6 | 44% | 0.441 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.7 | -47.4 | 175.3 | -69.5 | 161.4 | 0 | 0 | 0 | 110.6 | H321 F322 Q327 H328 F329 | H321-I325 WeakPolarHBondContact O-CG1 3.4Å; H321-I325 PolarHBondContact O-N 2.89Å; F322-I325 PolarHBondContact O-N 3.38Å; F322-I325 VanDerWaalsContact O-N 3.17Å; I325-Q327 VanDerWaalsContact C-N 3.3Å; I325-Q327 PolarHBondContact O-N 2.87Å; I325-H328 PolarHBondContact O-N 2.99Å; I325-H328 VanDerWaalsContact O-N 3.09Å; I325-F329 HydrophobicContact CG2-CD2 4.47Å; I325-F329 HydrophobicContact CG2-CE1 3.89Å; I325-F329 HydrophobicContact CG2-CE2 3.84Å; I325-F329 HydrophobicContact CG2-CZ 3.52Å; I325-F329 WeakPolarHBondContact O-CG 3.47Å; I325-F329 PolarHBondContact O-N 3.48Å |
| 326 | L | 93.9 | Very high | 91.3 | Very high | 51 Ų | 51 | 94.6 Ų | 94.6 | 27% | 0.267 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.6 | -38.1 | 176.1 | -65.1 | 176.8 | 0 | 0 | 0 | 112.4 | F306 F322 L323 S324 F329 L330 | F306-L326 HydrophobicContact CE2-CD1 3.89Å; F306-L326 HydrophobicContact CE2-CD2 4.2Å; F306-L326 HydrophobicContact CZ-CD1 4.39Å; F322-L326 HydrophobicContact CD1-CD1 4.12Å; F322-L326 HydrophobicContact CE1-CD1 3.68Å; F322-L326 HydrophobicContact CE1-CG 4.49Å; F322-L326 HydrophobicContact CE2-CD1 4.39Å; F322-L326 HydrophobicContact CE2-CD2 4.44Å; F322-L326 HydrophobicContact CE2-CG 4.39Å; F322-L326 HydrophobicContact CZ-CD1 3.84Å; F322-L326 HydrophobicContact CZ-CD2 4.42Å; F322-L326 HydrophobicContact CZ-CG 4.31Å; F322-L326 WeakPolarHBondContact O-CG 3.4Å; F322-L326 PolarHBondContact O-N 3.02Å; L323-L326 PolarHBondContact O-N 3.04Å; S324-L326 PolarHBondContact O-N 3.33Å; L326-F329 HydrophobicContact CD2-CD2 4.26Å; L326-F329 PolarHBondContact O-N 3.49Å; L326-L330 PolarHBondContact O-N 3.16Å |
| 327 | Q | 95 | Very high | 91.2 | Very high | 93 Ų | 93 | 97.1 Ų | 97.1 | 44% | 0.435 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65 | -39.5 | 173.4 | -72.6 | 168 | -10.3 | 0 | 0 | 112 | L323 S324 I325 F329 L330 | L323-Q327 HydrophobicContact CD1-CG 4.42Å; L323-Q327 VanDerWaalsContact O-CG 3.27Å; L323-Q327 WeakPolarHBondContact O-CG 3.22Å; L323-Q327 PolarHBondContact O-N 2.91Å; S324-Q327 WeakPolarHBondContact O-CB 3.28Å; S324-Q327 PolarHBondContact O-N 3.29Å; I325-Q327 VanDerWaalsContact C-N 3.3Å; I325-Q327 PolarHBondContact O-N 2.87Å; Q327-F329 VanDerWaalsContact C-N 3.32Å; Q327-F329 PolarHBondContact O-N 2.85Å; Q327-L330 WeakPolarHBondContact O-CB 3.35Å; Q327-L330 PolarHBondContact O-N 3.5Å; Q327-L330 VanDerWaalsContact O-N 3.17Å |
| 328 | H | 93.8 | Very high | 91.4 | Very high | 117 Ų | 117 | 93.7 Ų | 93.7 | 54% | 0.542 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66 | -33.9 | 175.6 | -73.1 | 94.4 | 0 | 0 | 0 | 112.5 | S324 I325 L330 F331 | S324-H328 PolarHBondContact O-N 3.41Å; S324-H328 PolarHBondContact O-ND1 3.17Å; S324-H328 PolarHBondContact OG-CE1 2.91Å; S324-H328 PolarHBondContact OG-ND1 3.09Å; I325-H328 PolarHBondContact O-N 2.99Å; I325-H328 VanDerWaalsContact O-N 3.09Å; H328-L330 PolarHBondContact O-N 3.2Å; H328-F331 PolarHBondContact O-N 3.13Å |
| 329 | F | 94.2 | Very high | 91.1 | Very high | 73 Ų | 73 | 92.8 Ų | 92.8 | 32% | 0.32 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62 | -27.9 | 173 | -65 | -16 | 0 | 0 | 0 | 113 | I325 L326 Q327 F331 I332 L345 | I325-F329 HydrophobicContact CG2-CD2 4.47Å; I325-F329 HydrophobicContact CG2-CE1 3.89Å; I325-F329 HydrophobicContact CG2-CE2 3.84Å; I325-F329 HydrophobicContact CG2-CZ 3.52Å; I325-F329 WeakPolarHBondContact O-CG 3.47Å; I325-F329 PolarHBondContact O-N 3.48Å; L326-F329 HydrophobicContact CD2-CD2 4.26Å; L326-F329 PolarHBondContact O-N 3.49Å; Q327-F329 VanDerWaalsContact C-N 3.32Å; Q327-F329 PolarHBondContact O-N 2.85Å; F329-F331 PolarHBondContact O-N 3.31Å; F329-I332 HydrophobicContact CB-CD1 4.24Å; F329-I332 HydrophobicContact CD1-CD1 4.07Å; F329-I332 HydrophobicContact CG-CD1 4.45Å; F329-I332 WeakPolarHBondContact O-CB 3.22Å; F329-I332 WeakPolarHBondContact O-CG1 3.41Å; F329-I332 PolarHBondContact O-N 3.4Å; F329-L345 HydrophobicContact CD1-CD1 4.17Å; F329-L345 HydrophobicContact CE1-CD1 3.9Å; F329-L345 HydrophobicContact CE1-CD2 4.33Å |
| 330 | L | 93.5 | Very high | 90.5 | Very high | 146 Ų | 146 | 91.4 Ų | 91.4 | 76% | 0.764 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -17.5 | 173.3 | -59.3 | 175.3 | 0 | 0 | 0 | 113.5 | L326 Q327 H328 | L326-L330 PolarHBondContact O-N 3.16Å; Q327-L330 WeakPolarHBondContact O-CB 3.35Å; Q327-L330 PolarHBondContact O-N 3.5Å; Q327-L330 VanDerWaalsContact O-N 3.17Å; H328-L330 PolarHBondContact O-N 3.2Å |
| 331 | F | 92.5 | Very high | 90.3 | Very high | 159 Ų | 159 | 87.9 Ų | 87.9 | 70% | 0.697 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 1.7 | 176.7 | -54.8 | -51 | 0 | 0 | 0 | 113.4 | H328 F329 R333 | H328-F331 PolarHBondContact O-N 3.13Å; F329-F331 PolarHBondContact O-N 3.31Å; F331-R333 PolarHBondContact O-N 3.37Å |
| 332 | I | 91.4 | Very high | 90.2 | Very high | 22 Ų | 22 | 86.1 Ų | 86.1 | 11% | 0.113 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 126 | 173.4 | -65.7 | 171.5 | 0 | 0 | 0 | 109.1 | F329 R338 Y341 F342 L345 | F329-I332 HydrophobicContact CB-CD1 4.24Å; F329-I332 HydrophobicContact CD1-CD1 4.07Å; F329-I332 HydrophobicContact CG-CD1 4.45Å; F329-I332 WeakPolarHBondContact O-CB 3.22Å; F329-I332 WeakPolarHBondContact O-CG1 3.41Å; F329-I332 PolarHBondContact O-N 3.4Å; I332-R338 HydrophobicContact CG2-CG 4.1Å; I332-Y341 HydrophobicContact CG2-CD2 4.17Å; I332-Y341 HydrophobicContact CG2-CG 4.06Å; I332-F342 HydrophobicContact CD1-CD2 4.42Å; I332-F342 HydrophobicContact CD1-CE1 3.98Å; I332-F342 HydrophobicContact CD1-CE2 3.82Å; I332-F342 HydrophobicContact CD1-CZ 3.57Å; I332-F342 HydrophobicContact CG2-CD2 4.39Å; I332-F342 HydrophobicContact CG2-CE2 4.03Å; I332-L345 HydrophobicContact CD1-CD1 3.67Å |
| 333 | R | 88.5 | Confident | 89.6 | Confident | 124 Ų | 124 | 85.3 Ų | 85.3 | 47% | 0.468 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -66 | 151.5 | -178.2 | -64.3 | 175.2 | 63.7 | -168.8 | 0.2 | 111.3 | F331 Y337 R338 Y341 | F331-R333 PolarHBondContact O-N 3.37Å; R333-Y337 VanDerWaalsContact NH2-CE2 3.27Å; R333-R338 VanDerWaalsContact O-CA 3.24Å; R333-R338 WeakPolarHBondContact O-CA 3.42Å; R333-R338 WeakPolarHBondContact O-CB 3.25Å; R333-R338 PolarHBondContact O-N 2.94Å; R333-Y341 HydrophobicContact CB-CE2 4.03Å; R333-Y341 HydrophobicContact CG-CE2 4.12Å |
| 334 | D | 89 | Confident | 89.1 | Confident | 110 Ų | 110 | 84.9 Ų | 84.9 | 59% | 0.588 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -63 | 172.9 | 173.3 | -69.8 | -36.2 | 0 | 0 | 0 | 113.7 | Y337 R338 | D334-Y337 PolarHBondContact O-N 2.93Å; D334-R338 PolarHBondContact O-N 2.67Å; D334-R338 IonicContact OD1-CZ 2.58Å; D334-R338 IonicContact OD1-NE 3.59Å; D334-R338 IonicContact OD1-NH2 2.64Å; D334-R338 PolarHBondContact OD1-NH2 2.73Å |
| 335 | E | 87.4 | Confident | 88.8 | Confident | 123 Ų | 123 | 84.8 Ų | 84.8 | 58% | 0.575 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 142.5 | 174.8 | -64.9 | -58.5 | 164.9 | 0 | 0 | 111.9 | R338 | E335-R338 HydrophobicContact CG-CB 4.47Š|
| 336 | P | 81.9 | Confident | 88.3 | Confident | 54 Ų | 54 | 86.9 Ų | 86.9 | 35% | 0.351 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -91 | 10.6 | 8.4 | 37.7 | -38.4 | 0 | 0 | 0 | 114.7 | Q999 | P336-Q999 VanDerWaalsContact CB-NE2 3.29Š|
| 337 | Y | 86.8 | Confident | 87.6 | Confident | 99 Ų | 99 | 85.2 Ų | 85.2 | 39% | 0.388 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -31.6 | -175.1 | -58.4 | -84.6 | 0 | 0 | 0 | 112.3 | R333 D334 L339 A340 Y341 M1003 | R333-Y337 VanDerWaalsContact NH2-CE2 3.27Å; D334-Y337 PolarHBondContact O-N 2.93Å; Y337-L339 VanDerWaalsContact C-N 3.31Å; Y337-L339 PolarHBondContact O-N 3.09Å; Y337-A340 WeakPolarHBondContact O-CB 3.47Å; Y337-A340 PolarHBondContact O-N 3.34Å; Y337-Y341 WeakPolarHBondContact O-CD2 3.23Å; Y337-Y341 PolarHBondContact O-N 3Å; Y337-Y341 VanDerWaalsContact O-N 3.12Å; Y337-M1003 HydrophobicContact CD1-CE 4.41Å |
| 338 | R | 90.4 | Very high | 87 | Confident | 103 Ų | 103 | 83.8 Ų | 83.8 | 39% | 0.389 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -46.2 | -51.2 | -177.5 | -172.2 | 174.7 | -74.9 | -150.3 | 2.4 | 112.8 | I332 R333 D334 E335 A340 Y341 F342 | I332-R338 HydrophobicContact CG2-CG 4.1Å; R333-R338 VanDerWaalsContact O-CA 3.24Å; R333-R338 WeakPolarHBondContact O-CA 3.42Å; R333-R338 WeakPolarHBondContact O-CB 3.25Å; R333-R338 PolarHBondContact O-N 2.94Å; D334-R338 PolarHBondContact O-N 2.67Å; D334-R338 IonicContact OD1-CZ 2.58Å; D334-R338 IonicContact OD1-NE 3.59Å; D334-R338 IonicContact OD1-NH2 2.64Å; D334-R338 PolarHBondContact OD1-NH2 2.73Å; E335-R338 HydrophobicContact CG-CB 4.47Å; R338-A340 VanDerWaalsContact C-N 3.32Å; R338-A340 PolarHBondContact O-N 3.12Å; R338-Y341 PolarHBondContact O-N 3.44Å; R338-F342 HydrophobicContact CG-CD2 3.79Å; R338-F342 HydrophobicContact CG-CE2 3.8Å; R338-F342 WeakPolarHBondContact O-CD2 3.43Å; R338-F342 PolarHBondContact O-N 3.19Å |
| 339 | L | 83.6 | Confident | 86.7 | Confident | 47 Ų | 47 | 82.2 Ų | 82.2 | 25% | 0.246 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -56.2 | -43.4 | 178.2 | -178.8 | 59.2 | 0 | 0 | 0 | 112.8 | Y337 F342 T343 A996 R1000 | Y337-L339 VanDerWaalsContact C-N 3.31Å; Y337-L339 PolarHBondContact O-N 3.09Å; L339-F342 PolarHBondContact O-N 3.17Å; L339-T343 WeakPolarHBondContact O-CB 3.22Å; L339-T343 PolarHBondContact O-N 3.21Å; L339-T343 PolarHBondContact O-OG1 2.92Å; L339-A996 HydrophobicContact CD2-CB 4.49Å; L339-R1000 HydrophobicContact CD2-CG 3.91Å; L339-R1000 HydrophobicContact CG-CG 4.48Å |
| 340 | A | 79.8 | Confident | 86.1 | Confident | 39 Ų | 39 | 79.3 Ų | 79.3 | 32% | 0.322 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -69.1 | -33.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y337 R338 L344 M1003 | Y337-A340 WeakPolarHBondContact O-CB 3.47Å; Y337-A340 PolarHBondContact O-N 3.34Å; R338-A340 VanDerWaalsContact C-N 3.32Å; R338-A340 PolarHBondContact O-N 3.12Å; A340-L344 WeakPolarHBondContact O-CB 3.31Å; A340-L344 PolarHBondContact O-N 2.93Å; A340-M1003 HydrophobicContact CB-CG 4.37Å |
| 341 | Y | 87.1 | Confident | 85.4 | Confident | 100 Ų | 100 | 72.6 Ų | 72.6 | 39% | 0.392 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.2 | -47.3 | 171.4 | -80.4 | -80.6 | 0 | 0 | 0 | 111.5 | I332 R333 Y337 R338 L344 L345 | I332-Y341 HydrophobicContact CG2-CD2 4.17Å; I332-Y341 HydrophobicContact CG2-CG 4.06Å; R333-Y341 HydrophobicContact CB-CE2 4.03Å; R333-Y341 HydrophobicContact CG-CE2 4.12Å; Y337-Y341 WeakPolarHBondContact O-CD2 3.23Å; Y337-Y341 PolarHBondContact O-N 3Å; Y337-Y341 VanDerWaalsContact O-N 3.12Å; R338-Y341 PolarHBondContact O-N 3.44Å; Y341-L344 PolarHBondContact O-N 3.41Å; Y341-L345 WeakPolarHBondContact O-CB 3.36Å; Y341-L345 VanDerWaalsContact O-CG 3.27Å; Y341-L345 WeakPolarHBondContact O-CG 3.45Å; Y341-L345 PolarHBondContact O-N 2.75Å |
| 342 | F | 89.7 | Confident | 84.8 | Confident | 96 Ų | 96 | 67.8 Ų | 67.8 | 42% | 0.421 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.7 | -39.5 | -179.6 | -83.2 | -72.3 | 0 | 0 | 0 | 112.8 | I332 R338 L339 L344 L345 E346 | I332-F342 HydrophobicContact CD1-CD2 4.42Å; I332-F342 HydrophobicContact CD1-CE1 3.98Å; I332-F342 HydrophobicContact CD1-CE2 3.82Å; I332-F342 HydrophobicContact CD1-CZ 3.57Å; I332-F342 HydrophobicContact CG2-CD2 4.39Å; I332-F342 HydrophobicContact CG2-CE2 4.03Å; R338-F342 HydrophobicContact CG-CD2 3.79Å; R338-F342 HydrophobicContact CG-CE2 3.8Å; R338-F342 WeakPolarHBondContact O-CD2 3.43Å; R338-F342 PolarHBondContact O-N 3.19Å; L339-F342 PolarHBondContact O-N 3.17Å; F342-L344 PolarHBondContact O-N 3.03Å; F342-L345 PolarHBondContact O-N 3.4Å; F342-E346 VanDerWaalsContact O-CB 3.3Å; F342-E346 WeakPolarHBondContact O-CB 2.97Å; F342-E346 PolarHBondContact O-N 3.34Å |
| 343 | T | 81.1 | Confident | 84.3 | Confident | 14 Ų | 14 | 72.3 Ų | 72.3 | 9% | 0.086 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 173.5 | -65.9 | 0 | 0 | 0 | 0 | 112.3 | L339 E346 E347 | L339-T343 WeakPolarHBondContact O-CB 3.22Å; L339-T343 PolarHBondContact O-N 3.21Å; L339-T343 PolarHBondContact O-OG1 2.92Å; T343-E346 PolarHBondContact O-N 3.36Å; T343-E347 WeakPolarHBondContact CG2-OE1 3.2Å; T343-E347 VanDerWaalsContact O-CG 3.32Å; T343-E347 WeakPolarHBondContact O-CG 3.29Å; T343-E347 PolarHBondContact O-N 2.86Å |
| 344 | L | 81.9 | Confident | 83.6 | Confident | 84 Ų | 84 | 67 Ų | 67 | 44% | 0.44 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.1 | -36 | 175.1 | 178.8 | 63 | 0 | 0 | 0 | 112.4 | A340 Y341 F342 L348 L368 | A340-L344 WeakPolarHBondContact O-CB 3.31Å; A340-L344 PolarHBondContact O-N 2.93Å; Y341-L344 PolarHBondContact O-N 3.41Å; F342-L344 PolarHBondContact O-N 3.03Å; L344-L348 VanDerWaalsContact O-CB 3.23Å; L344-L348 WeakPolarHBondContact O-CB 3.49Å; L344-L348 PolarHBondContact O-N 3.12Å; L344-L368 HydrophobicContact CD1-CD2 4.03Å |
| 345 | L | 88.8 | Confident | 82.9 | Confident | 40 Ų | 40 | 63 Ų | 63 | 21% | 0.209 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.5 | -38 | 176.7 | -73 | 167.9 | 0 | 0 | 0 | 112 | F329 I332 Y341 F342 L348 I349 | F329-L345 HydrophobicContact CD1-CD1 4.17Å; F329-L345 HydrophobicContact CE1-CD1 3.9Å; F329-L345 HydrophobicContact CE1-CD2 4.33Å; I332-L345 HydrophobicContact CD1-CD1 3.67Å; Y341-L345 WeakPolarHBondContact O-CB 3.36Å; Y341-L345 VanDerWaalsContact O-CG 3.27Å; Y341-L345 WeakPolarHBondContact O-CG 3.45Å; Y341-L345 PolarHBondContact O-N 2.75Å; F342-L345 PolarHBondContact O-N 3.4Å; L345-L348 PolarHBondContact O-N 3.28Å; L345-I349 VanDerWaalsContact O-CB 3.25Å; L345-I349 WeakPolarHBondContact O-CB 3.31Å; L345-I349 WeakPolarHBondContact O-CD1 3.4Å; L345-I349 WeakPolarHBondContact O-CG1 3.26Å; L345-I349 PolarHBondContact O-N 2.86Å |
| 346 | E | 83.9 | Confident | 81.8 | Confident | 130 Ų | 130 | 58.7 Ų | 58.7 | 61% | 0.607 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -59.8 | -51 | 172.7 | 179.3 | 179.5 | -165.5 | 0 | 0 | 110.7 | F342 T343 L348 I349 G350 | F342-E346 VanDerWaalsContact O-CB 3.3Å; F342-E346 WeakPolarHBondContact O-CB 2.97Å; F342-E346 PolarHBondContact O-N 3.34Å; T343-E346 PolarHBondContact O-N 3.36Å; E346-L348 PolarHBondContact O-N 2.97Å; E346-I349 PolarHBondContact O-N 3.08Å; E346-G350 PolarHBondContact O-N 3.35Å |
| 347 | E | 79.3 | Confident | 80.9 | Confident | 17 Ų | 17 | 61.6 Ų | 61.6 | 8% | 0.079 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59 | -44.4 | 174.9 | -69.4 | 167.4 | -166 | 0 | 0 | 111.9 | T343 Q351 M365 L368 R1004 | T343-E347 WeakPolarHBondContact CG2-OE1 3.2Å; T343-E347 VanDerWaalsContact O-CG 3.32Å; T343-E347 WeakPolarHBondContact O-CG 3.29Å; T343-E347 PolarHBondContact O-N 2.86Å; E347-Q351 PolarHBondContact O-N 3.42Å; E347-M365 HydrophobicContact CB-CE 3.94Å; E347-M365 HydrophobicContact CG-CE 3.84Å; E347-L368 HydrophobicContact CB-CD1 4.22Å; E347-R1004 IonicContact OE1-CZ 3.2Å; E347-R1004 IonicContact OE1-NE 2.74Å; E347-R1004 PolarHBondContact OE1-NE 3.43Å; E347-R1004 IonicContact OE1-NH2 3.36Å; E347-R1004 PolarHBondContact OE1-NH2 3.45Å |
| 348 | L | 83 | Confident | 79.6 | Confident | 63 Ų | 63 | 58.6 Ų | 58.6 | 33% | 0.33 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.2 | -44.3 | 178.8 | 176.5 | 62.6 | 0 | 0 | 0 | 113 | L344 L345 E346 V352 L368 L370 | L344-L348 VanDerWaalsContact O-CB 3.23Å; L344-L348 WeakPolarHBondContact O-CB 3.49Å; L344-L348 PolarHBondContact O-N 3.12Å; L345-L348 PolarHBondContact O-N 3.28Å; E346-L348 PolarHBondContact O-N 2.97Å; L348-V352 HydrophobicContact CD1-CG2 4.21Å; L348-V352 VanDerWaalsContact O-CG2 3.26Å; L348-V352 WeakPolarHBondContact O-CG2 3.35Å; L348-V352 PolarHBondContact O-N 3.4Å; L348-V352 VanDerWaalsContact O-N 3.13Å; L348-L368 HydrophobicContact CB-CD1 3.91Å; L348-L368 HydrophobicContact CD1-CD1 4.21Å; L348-L370 HydrophobicContact CD1-CD1 3.26Å |
| 349 | I | 87.2 | Confident | 78.2 | Confident | 83 Ų | 83 | 57.1 Ų | 57.1 | 43% | 0.426 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -71.3 | -42 | -177.8 | -68.4 | 166.2 | 0 | 0 | 0 | 109.8 | L345 E346 Q351 V352 M353 | L345-I349 VanDerWaalsContact O-CB 3.25Å; L345-I349 WeakPolarHBondContact O-CB 3.31Å; L345-I349 WeakPolarHBondContact O-CD1 3.4Å; L345-I349 WeakPolarHBondContact O-CG1 3.26Å; L345-I349 PolarHBondContact O-N 2.86Å; E346-I349 PolarHBondContact O-N 3.08Å; I349-Q351 PolarHBondContact O-N 3.39Å; I349-V352 PolarHBondContact O-N 3.03Å; I349-M353 HydrophobicContact CG2-CG 4.1Å; I349-M353 WeakPolarHBondContact O-CB 3.46Å; I349-M353 VanDerWaalsContact O-CG 3.24Å; I349-M353 WeakPolarHBondContact O-CG 3.3Å; I349-M353 PolarHBondContact O-N 3.04Å |
| 350 | G | 80.4 | Confident | 77.6 | Confident | 13 Ų | 13 | 55.2 Ų | 55.2 | 13% | 0.134 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -53.7 | -53.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E346 V352 M353 I354 | E346-G350 PolarHBondContact O-N 3.35Å; G350-V352 PolarHBondContact O-N 3.21Å; G350-M353 PolarHBondContact O-N 3.31Å; G350-I354 VanDerWaalsContact O-CB 3.26Å; G350-I354 WeakPolarHBondContact O-CB 3.25Å; G350-I354 VanDerWaalsContact O-CG1 3.27Å; G350-I354 WeakPolarHBondContact O-CG1 3.39Å; G350-I354 PolarHBondContact O-N 3.25Å |
| 351 | Q | 79.3 | Confident | 77.2 | Confident | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.019 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56.5 | -50.7 | 177.4 | -172.7 | 170.2 | 57.6 | 0 | 0 | 112.7 | E347 I349 M353 I354 Q355 D360 M365 L368 | E347-Q351 PolarHBondContact O-N 3.42Å; I349-Q351 PolarHBondContact O-N 3.39Å; Q351-M353 VanDerWaalsContact C-N 3.27Å; Q351-M353 PolarHBondContact O-N 2.96Å; Q351-I354 PolarHBondContact O-N 2.81Å; Q351-Q355 WeakPolarHBondContact O-CB 3.29Å; Q351-Q355 PolarHBondContact O-N 3.4Å; Q351-D360 WeakPolarHBondContact CG-OD2 3.22Å; Q351-D360 PolarHBondContact NE2-OD2 2.85Å; Q351-M365 HydrophobicContact CB-CB 4.1Å; Q351-M365 HydrophobicContact CB-CG 4.41Å; Q351-M365 HydrophobicContact CB-SD 4.4Å; Q351-M365 HydrophobicContact CG-CB 4.41Å; Q351-M365 PolarHBondContact NE2-O 2.92Å; Q351-L368 PolarHBondContact NE2-O 3.13Å; Q351-L368 PolarHBondContact OE1-O 3.42Å |
| 352 | V | 80.2 | Confident | 76.6 | Confident | 59 Ų | 59 | 48.8 Ų | 48.8 | 36% | 0.358 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.1 | -25.4 | -176 | 176.3 | 0 | 0 | 0 | 0 | 112.8 | L348 I349 G350 V372 | L348-V352 HydrophobicContact CD1-CG2 4.21Å; L348-V352 VanDerWaalsContact O-CG2 3.26Å; L348-V352 WeakPolarHBondContact O-CG2 3.35Å; L348-V352 PolarHBondContact O-N 3.4Å; L348-V352 VanDerWaalsContact O-N 3.13Å; I349-V352 PolarHBondContact O-N 3.03Å; G350-V352 PolarHBondContact O-N 3.21Å; V352-V372 HydrophobicContact CG2-CG2 4.09Å |
| 353 | M | 80.1 | Confident | 75.8 | Confident | 117 Ų | 117 | 45.1 Ų | 45.1 | 58% | 0.576 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -86.7 | -29.5 | 176.5 | -63.9 | -61.3 | 96.7 | 0 | 0 | 113.7 | I349 G350 Q351 | I349-M353 HydrophobicContact CG2-CG 4.1Å; I349-M353 WeakPolarHBondContact O-CB 3.46Å; I349-M353 VanDerWaalsContact O-CG 3.24Å; I349-M353 WeakPolarHBondContact O-CG 3.3Å; I349-M353 PolarHBondContact O-N 3.04Å; G350-M353 PolarHBondContact O-N 3.31Å; Q351-M353 VanDerWaalsContact C-N 3.27Å; Q351-M353 PolarHBondContact O-N 2.96Å |
| 354 | I | 74.9 | Confident | 75.3 | Confident | 12 Ų | 12 | 45.5 Ų | 45.5 | 6% | 0.062 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -105 | -28.2 | -167.3 | -62.6 | 172.8 | 0 | 0 | 0 | 112.7 | Y242 H245 G350 Q351 N356 P361 | Y242-I354 HydrophobicContact CD2-CG2 3.76Å; H245-I354 HydrophobicContact CB-CD1 3.66Å; G350-I354 VanDerWaalsContact O-CB 3.26Å; G350-I354 WeakPolarHBondContact O-CB 3.25Å; G350-I354 VanDerWaalsContact O-CG1 3.27Å; G350-I354 WeakPolarHBondContact O-CG1 3.39Å; G350-I354 PolarHBondContact O-N 3.25Å; Q351-I354 PolarHBondContact O-N 2.81Å; I354-N356 PolarHBondContact O-N 3.03Å; I354-P361 HydrophobicContact CG2-CG 3.44Å; I354-P361 VanDerWaalsContact CG2-CG 3.44Å |
| 355 | Q | 73.6 | Confident | 74.5 | Confident | 27 Ų | 27 | 42 Ų | 42 | 13% | 0.126 | 23% | 0.231 | C | C | . | . | trans | -65.2 | 127 | 178.2 | -173.1 | 179.4 | 15.1 | 0 | 0 | 111 | Q351 G358 D360 | Q351-Q355 WeakPolarHBondContact O-CB 3.29Å; Q351-Q355 PolarHBondContact O-N 3.4Å; Q355-G358 PolarHBondContact NE2-O 3.11Å; Q355-D360 HydrophobicContact CG-CB 4.49Å | ||
| 356 | N | 65 | Low | 73.3 | Confident | 31 Ų | 31 | 44.1 Ų | 44.1 | 17% | 0.166 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -134.2 | 145.7 | 178.4 | -167 | 25.1 | 0 | 0 | 0 | 110.9 | E235 F238 I354 G358 V359 | E235-N356 PolarHBondContact OE2-ND2 2.88Å; F238-N356 HydrophobicContact CD2-CB 4.28Å; F238-N356 WeakPolarHBondContact CD2-ND2 3.5Å; F238-N356 HydrophobicContact CE2-CB 4.44Å; F238-N356 WeakPolarHBondContact CE2-ND2 3.33Å; F238-N356 HydrophobicContact CG-CB 4.36Å; I354-N356 PolarHBondContact O-N 3.03Å; N356-G358 PolarHBondContact O-N 3.35Å; N356-G358 VanDerWaalsContact O-N 3.09Å; N356-V359 PolarHBondContact N-O 3.45Å; N356-V359 VanDerWaalsContact N-O 3.15Å; N356-V359 WeakPolarHBondContact O-CA 3.49Å; N356-V359 PolarHBondContact O-N 3.13Å; N356-V359 VanDerWaalsContact O-O 3.12Å |
| 357 | D | 63.2 | Low | 72.2 | Confident | 116 Ų | 116 | 41.3 Ų | 41.3 | 62% | 0.62 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 45.7 | 38.6 | -176.2 | -74.4 | -17.2 | 0 | 0 | 0 | 114 | V359 | D357-V359 PolarHBondContact O-N 3.01Š|
| 358 | G | 59.6 | Low | 71.5 | Confident | 35 Ų | 35 | 42.2 Ų | 42.2 | 36% | 0.361 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | -5.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q355 N356 E373 | Q355-G358 PolarHBondContact NE2-O 3.11Å; N356-G358 PolarHBondContact O-N 3.35Å; N356-G358 VanDerWaalsContact O-N 3.09Å; G358-E373 PolarHBondContact N-OE2 3.2Å; G358-E373 VanDerWaalsContact N-OE2 3.12Å |
| 359 | V | 61.4 | Low | 70.6 | Confident | 72 Ų | 72 | 51.1 Ų | 51.1 | 44% | 0.436 | 27% | 0.265 | S | S | . | . | B | Isolated β-bridge | trans | -91.6 | 120.4 | 178.3 | -177.4 | 0 | 0 | 0 | 0 | 109.9 | N356 D357 P361 | N356-V359 PolarHBondContact N-O 3.45Å; N356-V359 VanDerWaalsContact N-O 3.15Å; N356-V359 WeakPolarHBondContact O-CA 3.49Å; N356-V359 PolarHBondContact O-N 3.13Å; N356-V359 VanDerWaalsContact O-O 3.12Å; D357-V359 PolarHBondContact O-N 3.01Å; V359-P361 WeakPolarHBondContact O-CD 3.4Å |
| 360 | D | 69.1 | Low | 69.7 | Low | 7 Ų | 7 | 50.6 Ų | 50.6 | 4% | 0.037 | 26% | 0.263 | C | S | . | . | trans | -82.1 | 117.1 | 164.2 | -158.5 | -26.7 | 0 | 0 | 0 | 108.7 | Q351 Q355 D362 M365 | Q351-D360 WeakPolarHBondContact CG-OD2 3.22Å; Q351-D360 PolarHBondContact NE2-OD2 2.85Å; Q355-D360 HydrophobicContact CG-CB 4.49Å; D360-D362 VanDerWaalsContact C-N 3.3Å; D360-D362 PolarHBondContact OD1-N 2.91Å; D360-M365 WeakPolarHBondContact OD2-CB 3.38Å | ||
| 361 | P | 71.4 | Confident | 69.2 | Low | 4 Ų | 4 | 54 Ų | 54 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -80.6 | -11.8 | 173.5 | 35.6 | -36.2 | 0 | 0 | 0 | 111.9 | L233 Y242 I354 V359 P363 | L233-P361 HydrophobicContact CD2-CB 4.02Å; L233-P361 HydrophobicContact CD2-CG 4.23Å; Y242-P361 HydrophobicContact CD2-CB 4.03Å; Y242-P361 HydrophobicContact CD2-CG 3.7Å; Y242-P361 HydrophobicContact CE2-CB 3.66Å; Y242-P361 HydrophobicContact CE2-CG 3.73Å; Y242-P361 HydrophobicContact CG-CG 4.4Å; Y242-P361 PolarHBondContact OH-O 3.43Å; I354-P361 HydrophobicContact CG2-CG 3.44Å; I354-P361 VanDerWaalsContact CG2-CG 3.44Å; V359-P361 WeakPolarHBondContact O-CD 3.4Å; P361-P363 WeakPolarHBondContact O-CD 3.43Å |
| 362 | D | 76 | Confident | 68.9 | Low | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | trans | -99.8 | 107.4 | 173.5 | -167.4 | -22.7 | 0 | 0 | 0 | 111.7 | R203 Y242 H245 D360 H364 M365 | R203-D362 IonicContact CZ-OD1 2.76Å; R203-D362 VanDerWaalsContact CZ-OD1 3.28Å; R203-D362 IonicContact CZ-OD2 2.72Å; R203-D362 IonicContact NH1-OD1 2.72Å; R203-D362 PolarHBondContact NH1-OD1 2.68Å; R203-D362 IonicContact NH1-OD2 2.93Å; R203-D362 VanDerWaalsContact NH2-CG 3.27Å; R203-D362 IonicContact NH2-OD1 3.19Å; R203-D362 PolarHBondContact NH2-OD1 3.48Å; R203-D362 IonicContact NH2-OD2 3.14Å; R203-D362 PolarHBondContact NH2-OD2 3.09Å; Y242-D362 HydrophobicContact CE2-CB 4.39Å; H245-D362 IonicContact CD2-OD2 2.66Å; H245-D362 IonicContact CE1-OD2 2.69Å; H245-D362 IonicContact NE2-OD2 2.63Å; H245-D362 PolarHBondContact NE2-OD2 3.3Å; D360-D362 VanDerWaalsContact C-N 3.3Å; D360-D362 PolarHBondContact OD1-N 2.91Å; D362-H364 PolarHBondContact O-N 2.97Å; D362-H364 VanDerWaalsContact O-N 3.15Å; D362-H364 VanDerWaalsContact OD1-CB 3.28Å; D362-H364 WeakPolarHBondContact OD1-CB 3.39Å; D362-H364 PolarHBondContact OD1-N 2.93Å; D362-M365 HydrophobicContact CB-CB 4.34Å; D362-M365 HydrophobicContact CB-CG 3.68Å; D362-M365 PolarHBondContact O-N 3.38Å; D362-M365 VanDerWaalsContact O-N 3.16Å | ||
| 363 | P | 72.6 | Confident | 68.3 | Low | 18 Ų | 18 | 57.1 Ų | 57.1 | 12% | 0.117 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -14.2 | 179.2 | 27.4 | -34.4 | 0 | 0 | 0 | 115.3 | L187 E188 P361 N366 | L187-P363 HydrophobicContact CB-CG 4.09Å; E188-P363 HydrophobicContact CB-CB 4.45Å; E188-P363 HydrophobicContact CG-CB 3.56Å; E188-P363 HydrophobicContact CG-CG 3.96Å; P361-P363 WeakPolarHBondContact O-CD 3.43Å; P363-N366 WeakPolarHBondContact CA-ND2 3.43Å |
| 364 | H | 70 | Confident | 67.9 | Low | 23 Ų | 23 | 54 Ų | 54 | 11% | 0.106 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -32.7 | 173.9 | -179.3 | -86.3 | 0 | 0 | 0 | 111.8 | T191 D201 D362 N366 | T191-H364 HydrophobicContact CG2-CB 4.35Å; D201-H364 IonicContact OD1-CE1 3.54Å; D201-H364 IonicContact OD1-NE2 3.43Å; D201-H364 PolarHBondContact OD1-NE2 3.46Å; D362-H364 PolarHBondContact O-N 2.97Å; D362-H364 VanDerWaalsContact O-N 3.15Å; D362-H364 VanDerWaalsContact OD1-CB 3.28Å; D362-H364 WeakPolarHBondContact OD1-CB 3.39Å; D362-H364 PolarHBondContact OD1-N 2.93Å; H364-N366 VanDerWaalsContact C-N 3.35Å; H364-N366 PolarHBondContact O-N 2.96Å |
| 365 | M | 66.4 | Low | 67.7 | Low | 9 Ų | 9 | 57.1 Ų | 57.1 | 4% | 0.044 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -72.8 | -22.2 | -178.6 | -61 | -71 | 83.7 | 0 | 0 | 113.9 | E347 Q351 D360 D362 I367 L368 | E347-M365 HydrophobicContact CB-CE 3.94Å; E347-M365 HydrophobicContact CG-CE 3.84Å; Q351-M365 HydrophobicContact CB-CB 4.1Å; Q351-M365 HydrophobicContact CB-CG 4.41Å; Q351-M365 HydrophobicContact CB-SD 4.4Å; Q351-M365 HydrophobicContact CG-CB 4.41Å; Q351-M365 PolarHBondContact NE2-O 2.92Å; D360-M365 WeakPolarHBondContact OD2-CB 3.38Å; D362-M365 HydrophobicContact CB-CB 4.34Å; D362-M365 HydrophobicContact CB-CG 3.68Å; D362-M365 PolarHBondContact O-N 3.38Å; D362-M365 VanDerWaalsContact O-N 3.16Å; M365-I367 PolarHBondContact O-N 2.74Å; M365-L368 PolarHBondContact O-N 3.23Å; M365-L368 VanDerWaalsContact O-N 3.08Å |
| 366 | N | 63 | Low | 67.7 | Low | 85 Ų | 85 | 59.6 Ų | 59.6 | 46% | 0.455 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -54.7 | -9.5 | -178.4 | -82.4 | -41.2 | 0 | 0 | 0 | 116.3 | P363 H364 L368 | P363-N366 WeakPolarHBondContact CA-ND2 3.43Å; H364-N366 VanDerWaalsContact C-N 3.35Å; H364-N366 PolarHBondContact O-N 2.96Å; N366-L368 PolarHBondContact O-N 3Å |
| 367 | I | 59.6 | Low | 68 | Low | 71 Ų | 71 | 60.5 Ų | 60.5 | 36% | 0.364 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -62.3 | -32.2 | 173.7 | -58.9 | 175.8 | 0 | 0 | 0 | 110.8 | M365 | M365-I367 PolarHBondContact O-N 2.74Š|
| 368 | L | 65.6 | Low | 68.6 | Low | 37 Ų | 37 | 60.3 Ų | 60.3 | 19% | 0.194 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -90.1 | 111.6 | 176.9 | -65 | 176.3 | 0 | 0 | 0 | 110 | L344 E347 L348 Q351 M365 N366 L370 | L344-L368 HydrophobicContact CD1-CD2 4.03Å; E347-L368 HydrophobicContact CB-CD1 4.22Å; L348-L368 HydrophobicContact CB-CD1 3.91Å; L348-L368 HydrophobicContact CD1-CD1 4.21Å; Q351-L368 PolarHBondContact NE2-O 3.13Å; Q351-L368 PolarHBondContact OE1-O 3.42Å; M365-L368 PolarHBondContact O-N 3.23Å; M365-L368 VanDerWaalsContact O-N 3.08Å; N366-L368 PolarHBondContact O-N 3Å; L368-L370 VanDerWaalsContact C-N 3.35Å; L368-L370 HydrophobicContact CB-CD1 4.38Å; L368-L370 HydrophobicContact CB-CG 4.46Å; L368-L370 PolarHBondContact O-N 2.69Å |
| 369 | R | 63.8 | Low | 69.2 | Low | 249 Ų | 249 | 63.8 Ų | 63.8 | 94% | 0.94 | 34% | 0.336 | S | S | * | . | trans | -80.5 | 80.9 | 175 | -70 | -170.5 | 179.7 | -168.7 | 1 | 110.7 | ||||
| 370 | L | 68.3 | Low | 69.8 | Low | 72 Ų | 72 | 63.4 Ų | 63.4 | 38% | 0.377 | 33% | 0.334 | S | S | . | . | trans | -116 | 122.6 | 175.7 | -63.7 | 174.2 | 0 | 0 | 0 | 110.5 | L348 L368 V372 | L348-L370 HydrophobicContact CD1-CD1 3.26Å; L368-L370 VanDerWaalsContact C-N 3.35Å; L368-L370 HydrophobicContact CB-CD1 4.38Å; L368-L370 HydrophobicContact CB-CG 4.46Å; L368-L370 PolarHBondContact O-N 2.69Å; L370-V372 VanDerWaalsContact C-N 3.33Å; L370-V372 HydrophobicContact CB-CG2 4Å; L370-V372 PolarHBondContact O-N 3.12Å | ||
| 371 | D | 70.4 | Confident | 70 | Confident | 85 Ų | 85 | 65.7 Ų | 65.7 | 46% | 0.455 | 35% | 0.346 | S | S | . | . | trans | -87.9 | 79.9 | 166.9 | -176 | -12.1 | 0 | 0 | 0 | 107.9 | E373 S374 T375 | D371-E373 VanDerWaalsContact C-N 3.34Å; D371-S374 VanDerWaalsContact OD1-CB 3.28Å; D371-S374 WeakPolarHBondContact OD1-CB 3.32Å; D371-S374 PolarHBondContact OD1-N 3.09Å; D371-S374 PolarHBondContact OD1-OG 3.21Å; D371-S374 VanDerWaalsContact OD1-OG 3.11Å; D371-S374 WeakPolarHBondContact OD2-CB 3.47Å; D371-S374 PolarHBondContact OD2-OG 2.57Å; D371-T375 VanDerWaalsContact O-CB 3.26Å; D371-T375 WeakPolarHBondContact O-CB 3.1Å; D371-T375 PolarHBondContact O-N 3.46Å; D371-T375 VanDerWaalsContact O-N 3.09Å; D371-T375 PolarHBondContact O-OG1 3.41Å | ||
| 372 | V | 72 | Confident | 69.9 | Low | 20 Ų | 20 | 68.1 Ų | 68.1 | 12% | 0.121 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.6 | -39.5 | -176.5 | 176.7 | 0 | 0 | 0 | 0 | 110.7 | V352 L370 T375 V376 | V352-V372 HydrophobicContact CG2-CG2 4.09Å; L370-V372 VanDerWaalsContact C-N 3.33Å; L370-V372 HydrophobicContact CB-CG2 4Å; L370-V372 PolarHBondContact O-N 3.12Å; V372-T375 PolarHBondContact O-N 3.06Å; V372-V376 HydrophobicContact CG1-CG2 4.08Å; V372-V376 WeakPolarHBondContact O-CB 3.34Å; V372-V376 VanDerWaalsContact O-CG2 3.27Å; V372-V376 WeakPolarHBondContact O-CG2 3.41Å; V372-V376 PolarHBondContact O-N 3.05Å |
| 373 | E | 69 | Low | 69.7 | Low | 108 Ų | 108 | 73.4 Ų | 73.4 | 51% | 0.505 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61 | -55.2 | 179.5 | -170.5 | -169.3 | 155.7 | 0 | 0 | 111.6 | G358 D371 T375 V376 A377 | G358-E373 PolarHBondContact N-OE2 3.2Å; G358-E373 VanDerWaalsContact N-OE2 3.12Å; D371-E373 VanDerWaalsContact C-N 3.34Å; E373-T375 VanDerWaalsContact C-N 3.26Å; E373-T375 PolarHBondContact O-N 3.06Å; E373-V376 PolarHBondContact O-N 3.36Å; E373-A377 WeakPolarHBondContact O-CB 3.29Å; E373-A377 PolarHBondContact O-N 3.1Å |
| 374 | S | 70 | Confident | 69.9 | Low | 53 Ų | 53 | 77.9 Ų | 77.9 | 37% | 0.371 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.3 | -36.6 | 178.6 | -62.1 | 0 | 0 | 0 | 0 | 111.7 | D371 L378 | D371-S374 VanDerWaalsContact OD1-CB 3.28Å; D371-S374 WeakPolarHBondContact OD1-CB 3.32Å; D371-S374 PolarHBondContact OD1-N 3.09Å; D371-S374 PolarHBondContact OD1-OG 3.21Å; D371-S374 VanDerWaalsContact OD1-OG 3.11Å; D371-S374 WeakPolarHBondContact OD2-CB 3.47Å; D371-S374 PolarHBondContact OD2-OG 2.57Å; S374-L378 WeakPolarHBondContact O-CB 3.15Å; S374-L378 WeakPolarHBondContact O-CD1 3.34Å; S374-L378 WeakPolarHBondContact O-CG 3.5Å; S374-L378 PolarHBondContact O-N 3.2Å |
| 375 | T | 71.7 | Confident | 70 | Confident | 77 Ų | 77 | 83.7 Ų | 83.7 | 47% | 0.472 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.3 | -46.2 | 178.2 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | D371 V372 E373 L378 L379 | D371-T375 VanDerWaalsContact O-CB 3.26Å; D371-T375 WeakPolarHBondContact O-CB 3.1Å; D371-T375 PolarHBondContact O-N 3.46Å; D371-T375 VanDerWaalsContact O-N 3.09Å; D371-T375 PolarHBondContact O-OG1 3.41Å; V372-T375 PolarHBondContact O-N 3.06Å; E373-T375 VanDerWaalsContact C-N 3.26Å; E373-T375 PolarHBondContact O-N 3.06Å; T375-L378 PolarHBondContact O-N 3.34Å; T375-L379 HydrophobicContact CG2-CD1 4.14Å; T375-L379 VanDerWaalsContact O-CG 3.29Å; T375-L379 WeakPolarHBondContact O-CG 3.36Å; T375-L379 PolarHBondContact O-N 3.37Å; T375-L379 VanDerWaalsContact O-N 3.08Å |
| 376 | V | 73.7 | Confident | 70.1 | Confident | 78 Ų | 78 | 85.9 Ų | 85.9 | 47% | 0.473 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.3 | -43.7 | 177.8 | 169.7 | 0 | 0 | 0 | 0 | 110.9 | V372 E373 L378 L379 V380 | V372-V376 HydrophobicContact CG1-CG2 4.08Å; V372-V376 WeakPolarHBondContact O-CB 3.34Å; V372-V376 VanDerWaalsContact O-CG2 3.27Å; V372-V376 WeakPolarHBondContact O-CG2 3.41Å; V372-V376 PolarHBondContact O-N 3.05Å; E373-V376 PolarHBondContact O-N 3.36Å; V376-L378 PolarHBondContact O-N 3.26Å; V376-L379 PolarHBondContact O-N 2.88Å; V376-V380 HydrophobicContact CG1-CG2 4.31Å; V376-V380 WeakPolarHBondContact O-CB 3.35Å; V376-V380 WeakPolarHBondContact O-CG2 3.49Å; V376-V380 PolarHBondContact O-N 3.24Å |
| 377 | A | 72.1 | Confident | 70.6 | Confident | 51 Ų | 51 | 86.9 Ų | 86.9 | 42% | 0.421 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -58.6 | -47.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E373 L379 V380 D381 | E373-A377 WeakPolarHBondContact O-CB 3.29Å; E373-A377 PolarHBondContact O-N 3.1Å; A377-L379 PolarHBondContact O-N 3.48Å; A377-V380 PolarHBondContact O-N 3Å; A377-D381 PolarHBondContact O-N 2.82Å |
| 378 | L | 74.6 | Confident | 71.3 | Confident | 111 Ų | 111 | 86.1 Ų | 86.1 | 58% | 0.581 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.5 | -40.6 | 176.8 | -72.7 | 169.2 | 0 | 0 | 0 | 112.6 | S374 T375 V376 A382 | S374-L378 WeakPolarHBondContact O-CB 3.15Å; S374-L378 WeakPolarHBondContact O-CD1 3.34Å; S374-L378 WeakPolarHBondContact O-CG 3.5Å; S374-L378 PolarHBondContact O-N 3.2Å; T375-L378 PolarHBondContact O-N 3.34Å; V376-L378 PolarHBondContact O-N 3.26Å; L378-A382 WeakPolarHBondContact O-CB 3.39Å; L378-A382 PolarHBondContact O-N 3.28Å |
| 379 | L | 72.2 | Confident | 71.7 | Confident | 108 Ų | 108 | 87.4 Ų | 87.4 | 57% | 0.565 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66.8 | -40.1 | 176.7 | -71.7 | 169.8 | 0 | 0 | 0 | 112.3 | T375 V376 A377 L383 | T375-L379 HydrophobicContact CG2-CD1 4.14Å; T375-L379 VanDerWaalsContact O-CG 3.29Å; T375-L379 WeakPolarHBondContact O-CG 3.36Å; T375-L379 PolarHBondContact O-N 3.37Å; T375-L379 VanDerWaalsContact O-N 3.08Å; V376-L379 PolarHBondContact O-N 2.88Å; A377-L379 PolarHBondContact O-N 3.48Å; L379-L383 WeakPolarHBondContact O-CG 3.41Å; L379-L383 PolarHBondContact O-N 3.5Å; L379-L383 VanDerWaalsContact O-N 3.13Å |
| 380 | V | 74 | Confident | 72.3 | Confident | 65 Ų | 65 | 79.6 Ų | 79.6 | 39% | 0.394 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.2 | -40.6 | 177.4 | 166.3 | 0 | 0 | 0 | 0 | 111.5 | V376 A377 K384 | V376-V380 HydrophobicContact CG1-CG2 4.31Å; V376-V380 WeakPolarHBondContact O-CB 3.35Å; V376-V380 WeakPolarHBondContact O-CG2 3.49Å; V376-V380 PolarHBondContact O-N 3.24Å; A377-V380 PolarHBondContact O-N 3Å; V380-K384 WeakPolarHBondContact O-CG 3.25Å; V380-K384 PolarHBondContact O-N 2.78Å |
| 381 | D | 73.2 | Confident | 72.8 | Confident | 54 Ų | 54 | 82.3 Ų | 82.3 | 29% | 0.289 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -72.6 | -39.1 | 178.5 | -75 | -14.9 | 0 | 0 | 0 | 112.3 | A377 L383 K384 E385 | A377-D381 PolarHBondContact O-N 2.82Å; D381-L383 VanDerWaalsContact C-N 3.28Å; D381-L383 PolarHBondContact O-N 2.75Å; D381-K384 PolarHBondContact O-N 2.83Å; D381-K384 VanDerWaalsContact O-N 3.12Å; D381-K384 IonicContact OD1-NZ 3.52Å; D381-K384 PolarHBondContact OD1-NZ 3.42Å; D381-E385 PolarHBondContact O-N 3.03Å |
| 382 | A | 70 | Confident | 73.1 | Confident | 55 Ų | 55 | 82.9 Ų | 82.9 | 46% | 0.455 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.7 | -36.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L378 E385 A386 | L378-A382 WeakPolarHBondContact O-CB 3.39Å; L378-A382 PolarHBondContact O-N 3.28Å; A382-E385 PolarHBondContact O-N 2.87Å; A382-A386 PolarHBondContact O-N 2.78Å; A382-A386 VanDerWaalsContact O-N 3.15Å |
| 383 | L | 71.9 | Confident | 73.3 | Confident | 113 Ų | 113 | 88.2 Ų | 88.2 | 59% | 0.592 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.2 | -39.7 | 174.5 | -74.6 | 169.8 | 0 | 0 | 0 | 112.4 | L379 D381 D387 | L379-L383 WeakPolarHBondContact O-CG 3.41Å; L379-L383 PolarHBondContact O-N 3.5Å; L379-L383 VanDerWaalsContact O-N 3.13Å; D381-L383 VanDerWaalsContact C-N 3.28Å; D381-L383 PolarHBondContact O-N 2.75Å; L383-D387 PolarHBondContact O-N 3.19Å |
| 384 | K | 75.8 | Confident | 74 | Confident | 111 Ų | 111 | 87.5 Ų | 87.5 | 48% | 0.483 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.2 | -39.9 | 176.7 | -65 | 168 | -164.1 | 156.3 | 0 | 111.9 | V380 D381 A388 | V380-K384 WeakPolarHBondContact O-CG 3.25Å; V380-K384 PolarHBondContact O-N 2.78Å; D381-K384 PolarHBondContact O-N 2.83Å; D381-K384 VanDerWaalsContact O-N 3.12Å; D381-K384 IonicContact OD1-NZ 3.52Å; D381-K384 PolarHBondContact OD1-NZ 3.42Å; K384-A388 WeakPolarHBondContact O-CB 2.91Å; K384-A388 PolarHBondContact O-N 3.5Å; K384-A388 VanDerWaalsContact O-N 3.09Å |
| 385 | E | 71.6 | Confident | 74.7 | Confident | 146 Ų | 146 | 89.2 Ų | 89.2 | 68% | 0.682 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.2 | -41.4 | 180 | -171.9 | 169.3 | -160.7 | 0 | 0 | 111.8 | D381 A382 A388 S389 | D381-E385 PolarHBondContact O-N 3.03Å; A382-E385 PolarHBondContact O-N 2.87Å; E385-A388 PolarHBondContact O-N 2.91Å; E385-S389 PolarHBondContact O-N 3.23Å |
| 386 | A | 70.5 | Confident | 75.2 | Confident | 54 Ų | 54 | 89.2 Ų | 89.2 | 45% | 0.446 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A382 A388 T390 | A382-A386 PolarHBondContact O-N 2.78Å; A382-A386 VanDerWaalsContact O-N 3.15Å; A386-A388 VanDerWaalsContact C-N 3.28Å; A386-A388 PolarHBondContact O-N 3.41Å; A386-T390 PolarHBondContact O-N 2.66Å; A386-T390 PolarHBondContact O-OG1 3.32Å |
| 387 | D | 73.2 | Confident | 75.6 | Confident | 106 Ų | 106 | 88.7 Ų | 88.7 | 57% | 0.567 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.9 | -35.3 | 175.6 | -80.4 | -13.5 | 0 | 0 | 0 | 110.9 | K317 L383 | K317-D387 IonicContact NZ-OD2 3.29Å; L383-D387 PolarHBondContact O-N 3.19Å |
| 388 | A | 73.4 | Confident | 76.4 | Confident | 56 Ų | 56 | 92.6 Ų | 92.6 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -73.8 | -44.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | K384 E385 A386 T390 R391 V392 | K384-A388 WeakPolarHBondContact O-CB 2.91Å; K384-A388 PolarHBondContact O-N 3.5Å; K384-A388 VanDerWaalsContact O-N 3.09Å; E385-A388 PolarHBondContact O-N 2.91Å; A386-A388 VanDerWaalsContact C-N 3.28Å; A386-A388 PolarHBondContact O-N 3.41Å; A388-T390 PolarHBondContact O-N 3.09Å; A388-R391 WeakPolarHBondContact O-CB 3.38Å; A388-R391 PolarHBondContact O-N 3.4Å; A388-R391 VanDerWaalsContact O-N 3.14Å; A388-V392 PolarHBondContact O-N 3.3Å |
| 389 | S | 74.2 | Confident | 77 | Confident | 63 Ų | 63 | 91.4 Ų | 91.4 | 44% | 0.441 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.2 | -47.3 | -178.1 | -167.7 | 0 | 0 | 0 | 0 | 111.7 | E385 R391 V392 E393 | E385-S389 PolarHBondContact O-N 3.23Å; S389-R391 PolarHBondContact O-N 3.06Å; S389-R391 VanDerWaalsContact O-N 3.13Å; S389-V392 PolarHBondContact O-N 3.1Å; S389-E393 PolarHBondContact O-N 3.48Å |
| 390 | T | 76.5 | Confident | 77.6 | Confident | 86 Ų | 86 | 88.4 Ų | 88.4 | 53% | 0.528 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -53.7 | -37.1 | 177.3 | -50.9 | 0 | 0 | 0 | 0 | 111.6 | A386 A388 | A386-T390 PolarHBondContact O-N 2.66Å; A386-T390 PolarHBondContact O-OG1 3.32Å; A388-T390 PolarHBondContact O-N 3.09Å |
| 391 | R | 78.9 | Confident | 78.2 | Confident | 129 Ų | 129 | 88.3 Ų | 88.3 | 49% | 0.487 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -74.2 | -29.2 | -178.4 | -175.4 | 56.3 | -176.7 | 153.1 | 4 | 113.7 | A388 S389 E394 L395 | A388-R391 WeakPolarHBondContact O-CB 3.38Å; A388-R391 PolarHBondContact O-N 3.4Å; A388-R391 VanDerWaalsContact O-N 3.14Å; S389-R391 PolarHBondContact O-N 3.06Å; S389-R391 VanDerWaalsContact O-N 3.13Å; R391-E394 IonicContact CZ-OE2 3.85Å; R391-E394 IonicContact NH1-OE2 2.78Å; R391-E394 PolarHBondContact NH1-OE2 3.32Å; R391-L395 WeakPolarHBondContact O-CG 3.33Å |
| 392 | V | 76.8 | Confident | 79 | Confident | 97 Ų | 97 | 88.5 Ų | 88.5 | 59% | 0.588 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -71.4 | -44.4 | 177.5 | 173.9 | 0 | 0 | 0 | 0 | 110.6 | A388 S389 E394 L395 Q396 | A388-V392 PolarHBondContact O-N 3.3Å; S389-V392 PolarHBondContact O-N 3.1Å; V392-E394 PolarHBondContact O-N 2.81Å; V392-L395 PolarHBondContact O-N 2.85Å; V392-L395 VanDerWaalsContact O-N 3.1Å; V392-Q396 PolarHBondContact O-N 3.48Å |
| 393 | E | 76.7 | Confident | 79.9 | Confident | 131 Ų | 131 | 87.2 Ų | 87.2 | 61% | 0.612 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -58.8 | -43.7 | 179.7 | -67.3 | 174.8 | -163.1 | 0 | 0 | 112.3 | S389 L395 Q396 A397 | S389-E393 PolarHBondContact O-N 3.48Å; E393-L395 VanDerWaalsContact C-N 3.26Å; E393-L395 PolarHBondContact O-N 3.34Å; E393-Q396 PolarHBondContact O-N 2.98Å; E393-A397 PolarHBondContact O-N 2.89Å |
| 394 | E | 83.5 | Confident | 80.7 | Confident | 94 Ų | 94 | 84.9 Ų | 84.9 | 44% | 0.439 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.8 | -32.8 | 175.5 | -72.9 | -169.9 | 152.9 | 0 | 0 | 114.2 | R391 V392 K398 | R391-E394 IonicContact CZ-OE2 3.85Å; R391-E394 IonicContact NH1-OE2 2.78Å; R391-E394 PolarHBondContact NH1-OE2 3.32Å; V392-E394 PolarHBondContact O-N 2.81Å; E394-K398 WeakPolarHBondContact O-CD 2.89Å; E394-K398 WeakPolarHBondContact O-CG 3.4Å |
| 395 | L | 85.2 | Confident | 81.3 | Confident | 89 Ų | 89 | 82.3 Ų | 82.3 | 47% | 0.466 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -80.6 | -40.5 | -177.8 | -71.8 | 172.1 | 0 | 0 | 0 | 110.7 | R391 V392 E393 A397 K398 L399 | R391-L395 WeakPolarHBondContact O-CG 3.33Å; V392-L395 PolarHBondContact O-N 2.85Å; V392-L395 VanDerWaalsContact O-N 3.1Å; E393-L395 VanDerWaalsContact C-N 3.26Å; E393-L395 PolarHBondContact O-N 3.34Å; L395-A397 PolarHBondContact O-N 3.34Å; L395-K398 PolarHBondContact O-N 3.47Å; L395-L399 PolarHBondContact O-N 3.04Å; L395-L399 VanDerWaalsContact O-N 3.1Å |
| 396 | Q | 80.1 | Confident | 82.3 | Confident | 77 Ų | 77 | 78.6 Ų | 78.6 | 36% | 0.36 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.1 | -46.8 | 176.5 | -174.1 | 58.6 | 39.5 | 0 | 0 | 111.7 | V392 E393 K398 L399 D400 | V392-Q396 PolarHBondContact O-N 3.48Å; E393-Q396 PolarHBondContact O-N 2.98Å; Q396-K398 PolarHBondContact O-N 3.41Å; Q396-L399 WeakPolarHBondContact O-CB 3.32Å; Q396-L399 PolarHBondContact O-N 2.8Å; Q396-D400 PolarHBondContact NE2-OD1 3.3Å; Q396-D400 PolarHBondContact NE2-OD2 3.14Å; Q396-D400 VanDerWaalsContact NE2-OD2 3.12Å; Q396-D400 PolarHBondContact O-N 2.78Å |
| 397 | A | 82.6 | Confident | 83 | Confident | 66 Ų | 66 | 76 Ų | 76 | 55% | 0.545 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.1 | -30.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E393 L395 | E393-A397 PolarHBondContact O-N 2.89Å; L395-A397 PolarHBondContact O-N 3.34Å |
| 398 | K | 88.6 | Confident | 83.6 | Confident | 133 Ų | 133 | 73.4 Ų | 73.4 | 58% | 0.578 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -77.8 | -32.4 | 176.2 | -71.8 | 170.5 | -175.6 | 164.1 | 0 | 112.5 | E394 L395 Q396 A402 | E394-K398 WeakPolarHBondContact O-CD 2.89Å; E394-K398 WeakPolarHBondContact O-CG 3.4Å; L395-K398 PolarHBondContact O-N 3.47Å; Q396-K398 PolarHBondContact O-N 3.41Å; K398-A402 PolarHBondContact O-N 2.87Å |
| 399 | L | 87.6 | Confident | 84.3 | Confident | 87 Ų | 87 | 73.4 Ų | 73.4 | 46% | 0.455 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.8 | -50.7 | 176.5 | 178.5 | 59.7 | 0 | 0 | 0 | 111.1 | L395 Q396 A401 A402 L403 | L395-L399 PolarHBondContact O-N 3.04Å; L395-L399 VanDerWaalsContact O-N 3.1Å; Q396-L399 WeakPolarHBondContact O-CB 3.32Å; Q396-L399 PolarHBondContact O-N 2.8Å; L399-A401 VanDerWaalsContact C-N 3.32Å; L399-A401 PolarHBondContact O-N 2.72Å; L399-A402 WeakPolarHBondContact O-CB 3.47Å; L399-A402 PolarHBondContact O-N 2.7Å; L399-L403 HydrophobicContact CD1-CD1 4.3Å; L399-L403 HydrophobicContact CD1-CG 4.32Å; L399-L403 HydrophobicContact CG-CD1 4.17Å; L399-L403 PolarHBondContact O-N 3.4Å |
| 400 | D | 84.7 | Confident | 84.8 | Confident | 45 Ų | 45 | 73.9 Ų | 73.9 | 24% | 0.241 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.5 | -41.8 | -177.7 | -70.1 | -29.3 | 0 | 0 | 0 | 111.9 | Q396 A402 L403 Q404 R801 | Q396-D400 PolarHBondContact NE2-OD1 3.3Å; Q396-D400 PolarHBondContact NE2-OD2 3.14Å; Q396-D400 VanDerWaalsContact NE2-OD2 3.12Å; Q396-D400 PolarHBondContact O-N 2.78Å; D400-A402 VanDerWaalsContact C-N 3.33Å; D400-A402 PolarHBondContact O-N 3.13Å; D400-L403 PolarHBondContact O-N 3.4Å; D400-Q404 PolarHBondContact O-N 2.79Å; D400-Q404 VanDerWaalsContact O-N 3.12Å; D400-R801 VanDerWaalsContact CG-NH1 3.32Å; D400-R801 IonicContact OD1-CZ 2.71Å; D400-R801 IonicContact OD1-NH1 3.24Å; D400-R801 PolarHBondContact OD1-NH1 3.14Å; D400-R801 IonicContact OD1-NH2 3.62Å; D400-R801 PolarHBondContact OD1-NH2 2.98Å; D400-R801 IonicContact OD2-CZ 3.28Å; D400-R801 IonicContact OD2-NH1 2.73Å; D400-R801 PolarHBondContact OD2-NH1 2.91Å; D400-R801 IonicContact OD2-NH2 2.63Å |
| 401 | A | 87.5 | Confident | 85.2 | Confident | 62 Ų | 62 | 69.8 Ų | 69.8 | 51% | 0.512 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.5 | -34.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L399 A405 | L399-A401 VanDerWaalsContact C-N 3.32Å; L399-A401 PolarHBondContact O-N 2.72Å; A401-A405 PolarHBondContact O-N 3.43Å |
| 402 | A | 90.3 | Very high | 85.4 | Confident | 59 Ų | 59 | 68.4 Ų | 68.4 | 49% | 0.488 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -73.1 | -37.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K398 L399 D400 A405 K406 | K398-A402 PolarHBondContact O-N 2.87Å; L399-A402 WeakPolarHBondContact O-CB 3.47Å; L399-A402 PolarHBondContact O-N 2.7Å; D400-A402 VanDerWaalsContact C-N 3.33Å; D400-A402 PolarHBondContact O-N 3.13Å; A402-A405 PolarHBondContact O-N 2.76Å; A402-K406 PolarHBondContact O-N 2.81Å |
| 403 | L | 87.4 | Confident | 85.7 | Confident | 27 Ų | 27 | 67.2 Ų | 67.2 | 14% | 0.141 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.1 | -45 | 176.1 | -68.4 | 173.3 | 0 | 0 | 0 | 111.5 | L399 D400 A405 K406 L407 H798 | L399-L403 HydrophobicContact CD1-CD1 4.3Å; L399-L403 HydrophobicContact CD1-CG 4.32Å; L399-L403 HydrophobicContact CG-CD1 4.17Å; L399-L403 PolarHBondContact O-N 3.4Å; D400-L403 PolarHBondContact O-N 3.4Å; L403-A405 VanDerWaalsContact C-N 3.32Å; L403-A405 PolarHBondContact O-N 2.76Å; L403-K406 HydrophobicContact CD2-CD 4.43Å; L403-K406 WeakPolarHBondContact O-CB 3.47Å; L403-K406 PolarHBondContact O-N 2.87Å; L403-L407 WeakPolarHBondContact O-CG 3.37Å; L403-L407 PolarHBondContact O-N 3.04Å; L403-L407 VanDerWaalsContact O-N 3.1Å; L403-H798 WeakPolarHBondContact CD1-NE2 3.13Å |
| 404 | Q | 88.9 | Confident | 85.8 | Confident | 65 Ų | 65 | 64.6 Ų | 64.6 | 30% | 0.304 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -57.4 | -45.4 | 175.2 | -174.6 | 179.9 | -25.6 | 0 | 0 | 111.8 | D400 K406 L407 E408 V712 | D400-Q404 PolarHBondContact O-N 2.79Å; D400-Q404 VanDerWaalsContact O-N 3.12Å; Q404-K406 PolarHBondContact O-N 3.38Å; Q404-L407 PolarHBondContact O-N 3.18Å; Q404-E408 PolarHBondContact NE2-OE1 3.43Å; Q404-E408 VanDerWaalsContact NE2-OE1 3.12Å; Q404-E408 WeakPolarHBondContact O-CG 3.4Å; Q404-E408 PolarHBondContact O-N 3.48Å; Q404-V712 HydrophobicContact CB-CG2 4.47Å; Q404-V712 HydrophobicContact CG-CG2 4.34Å |
| 405 | A | 89.8 | Confident | 85.5 | Confident | 57 Ų | 57 | 61.3 Ų | 61.3 | 47% | 0.471 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.9 | -37.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A401 A402 L403 A409 | A401-A405 PolarHBondContact O-N 3.43Å; A402-A405 PolarHBondContact O-N 2.76Å; L403-A405 VanDerWaalsContact C-N 3.32Å; L403-A405 PolarHBondContact O-N 2.76Å; A405-A409 WeakPolarHBondContact O-CB 3.44Å; A405-A409 PolarHBondContact O-N 2.9Å; A405-A409 VanDerWaalsContact O-N 3.09Å |
| 406 | K | 91.7 | Very high | 85.1 | Confident | 67 Ų | 67 | 61.9 Ų | 61.9 | 29% | 0.291 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -57.1 | -52.7 | 171.7 | 165.6 | -157.6 | 166.8 | -160.4 | 0 | 110.6 | A402 L403 Q404 E408 A409 E410 E716 Q719 | A402-K406 PolarHBondContact O-N 2.81Å; L403-K406 HydrophobicContact CD2-CD 4.43Å; L403-K406 WeakPolarHBondContact O-CB 3.47Å; L403-K406 PolarHBondContact O-N 2.87Å; Q404-K406 PolarHBondContact O-N 3.38Å; K406-E408 PolarHBondContact O-N 3.15Å; K406-A409 PolarHBondContact O-N 3.02Å; K406-E410 WeakPolarHBondContact CE-OE1 3.32Å; K406-E410 HydrophobicContact CG-CG 4.46Å; K406-E410 WeakPolarHBondContact O-CG 3.35Å; K406-E410 PolarHBondContact O-N 2.63Å; K406-E716 VanDerWaalsContact NZ-CD 3.34Å; K406-E716 IonicContact NZ-OE1 3.28Å; K406-E716 PolarHBondContact NZ-OE1 2.87Å; K406-E716 IonicContact NZ-OE2 3.05Å; K406-E716 PolarHBondContact NZ-OE2 2.89Å; K406-Q719 VanDerWaalsContact NZ-OE1 3.1Å |
| 407 | L | 85.4 | Confident | 85 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -69.5 | -35.1 | -173.7 | -55.9 | -179.2 | 0 | 0 | 0 | 112.4 | L403 Q404 A411 V712 D715 E716 M861 | L403-L407 WeakPolarHBondContact O-CG 3.37Å; L403-L407 PolarHBondContact O-N 3.04Å; L403-L407 VanDerWaalsContact O-N 3.1Å; Q404-L407 PolarHBondContact O-N 3.18Å; L407-A411 WeakPolarHBondContact O-CB 3.27Å; L407-A411 PolarHBondContact O-N 2.79Å; L407-V712 HydrophobicContact CD1-CB 3.92Å; L407-V712 HydrophobicContact CD1-CG1 3.78Å; L407-V712 HydrophobicContact CD1-CG2 3.82Å; L407-D715 HydrophobicContact CD1-CB 4.29Å; L407-E716 HydrophobicContact CD1-CG 4.38Å; L407-E716 WeakPolarHBondContact CD2-OE1 3.46Å; L407-M861 HydrophobicContact CB-CE 4.33Å |
| 408 | E | 86.6 | Confident | 84.6 | Confident | 52 Ų | 52 | 63.4 Ų | 63.4 | 24% | 0.243 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.8 | -38.5 | 171.4 | -70.8 | -176.7 | 177.3 | 0 | 0 | 112.3 | Q404 K406 K412 K708 M861 | Q404-E408 PolarHBondContact NE2-OE1 3.43Å; Q404-E408 VanDerWaalsContact NE2-OE1 3.12Å; Q404-E408 WeakPolarHBondContact O-CG 3.4Å; Q404-E408 PolarHBondContact O-N 3.48Å; K406-E408 PolarHBondContact O-N 3.15Å; E408-K412 WeakPolarHBondContact O-CB 3.45Å; E408-K412 PolarHBondContact O-N 3.27Å; E408-K708 WeakPolarHBondContact OE1-CD 3.46Å; E408-K708 WeakPolarHBondContact OE1-CE 3.43Å; E408-K708 IonicContact OE1-NZ 3.69Å; E408-K708 PolarHBondContact OE1-NZ 3.45Å; E408-M861 HydrophobicContact CG-SD 4.43Å |
| 409 | A | 86.7 | Confident | 84 | Confident | 55 Ų | 55 | 62.6 Ų | 62.6 | 46% | 0.455 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -69.8 | -45.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A405 K406 A411 K412 V413 | A405-A409 WeakPolarHBondContact O-CB 3.44Å; A405-A409 PolarHBondContact O-N 2.9Å; A405-A409 VanDerWaalsContact O-N 3.09Å; K406-A409 PolarHBondContact O-N 3.02Å; A409-A411 VanDerWaalsContact C-N 3.34Å; A409-A411 PolarHBondContact O-N 3.01Å; A409-K412 PolarHBondContact O-N 3.09Å; A409-V413 WeakPolarHBondContact O-CG2 3.34Å; A409-V413 PolarHBondContact O-N 2.86Å |
| 410 | E | 85.4 | Confident | 83.3 | Confident | 73 Ų | 73 | 65.1 Ų | 65.1 | 34% | 0.341 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.3 | -43.2 | 175.8 | -72.8 | 176.9 | 172.9 | 0 | 0 | 111.6 | K406 V413 Q414 R864 | K406-E410 WeakPolarHBondContact CE-OE1 3.32Å; K406-E410 HydrophobicContact CG-CG 4.46Å; K406-E410 WeakPolarHBondContact O-CG 3.35Å; K406-E410 PolarHBondContact O-N 2.63Å; E410-V413 PolarHBondContact O-N 3.26Å; E410-Q414 PolarHBondContact O-N 2.85Å; E410-R864 IonicContact OE2-CZ 2.87Å; E410-R864 IonicContact OE2-NH1 2.7Å; E410-R864 PolarHBondContact OE2-NH1 3.3Å; E410-R864 IonicContact OE2-NH2 3.16Å |
| 411 | A | 84.1 | Confident | 82.7 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -53.7 | -56.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | L407 A409 V413 Q414 T415 M860 M861 | L407-A411 WeakPolarHBondContact O-CB 3.27Å; L407-A411 PolarHBondContact O-N 2.79Å; A409-A411 VanDerWaalsContact C-N 3.34Å; A409-A411 PolarHBondContact O-N 3.01Å; A411-V413 VanDerWaalsContact C-N 3.26Å; A411-V413 PolarHBondContact O-N 3.12Å; A411-Q414 WeakPolarHBondContact O-CA 3.42Å; A411-Q414 WeakPolarHBondContact O-CB 3.3Å; A411-Q414 PolarHBondContact O-N 3.3Å; A411-T415 PolarHBondContact O-N 3.24Å; A411-M860 HydrophobicContact CB-CE 3.68Å; A411-M860 WeakPolarHBondContact O-CE 3.49Å; A411-M861 HydrophobicContact CB-CG 3.79Å |
| 412 | K | 83.7 | Confident | 81.4 | Confident | 100 Ų | 100 | 69 Ų | 69 | 44% | 0.435 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -57.8 | -37.1 | -178.8 | -166.4 | 158.1 | -174.9 | 146.2 | 0 | 113 | E408 A409 L416 E853 | E408-K412 WeakPolarHBondContact O-CB 3.45Å; E408-K412 PolarHBondContact O-N 3.27Å; A409-K412 PolarHBondContact O-N 3.09Å; K412-L416 WeakPolarHBondContact O-CG 3.1Å; K412-L416 PolarHBondContact O-N 3.02Å; K412-L416 VanDerWaalsContact O-N 3.15Å; K412-E853 IonicContact NZ-OE1 2.73Å; K412-E853 PolarHBondContact NZ-OE1 2.81Å |
| 413 | V | 83.4 | Confident | 79.4 | Confident | 73 Ų | 73 | 69.2 Ų | 69.2 | 44% | 0.442 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 172.7 | 170.7 | 0 | 0 | 0 | 0 | 111.6 | A409 E410 A411 L416 Q417 | A409-V413 WeakPolarHBondContact O-CG2 3.34Å; A409-V413 PolarHBondContact O-N 2.86Å; E410-V413 PolarHBondContact O-N 3.26Å; A411-V413 VanDerWaalsContact C-N 3.26Å; A411-V413 PolarHBondContact O-N 3.12Å; V413-L416 PolarHBondContact O-N 3.47Å; V413-Q417 HydrophobicContact CG1-CG 4.35Å; V413-Q417 WeakPolarHBondContact O-CG 3.41Å; V413-Q417 PolarHBondContact O-N 3.47Å |
| 414 | Q | 78.1 | Confident | 77.4 | Confident | 75 Ų | 75 | 73.1 Ų | 73.1 | 35% | 0.35 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.3 | -38 | 178.3 | -169.5 | 174.4 | 18.4 | 0 | 0 | 112.4 | E410 A411 Q417 S418 M860 | E410-Q414 PolarHBondContact O-N 2.85Å; A411-Q414 WeakPolarHBondContact O-CA 3.42Å; A411-Q414 WeakPolarHBondContact O-CB 3.3Å; A411-Q414 PolarHBondContact O-N 3.3Å; Q414-Q417 PolarHBondContact O-N 2.97Å; Q414-S418 PolarHBondContact O-N 3.35Å; Q414-M860 HydrophobicContact CB-SD 3.82Å; Q414-M860 HydrophobicContact CG-SD 4.13Å |
| 415 | T | 76.9 | Confident | 75.3 | Confident | 26 Ų | 26 | 81.6 Ų | 81.6 | 16% | 0.16 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -57.1 | -51.7 | 170 | -74.8 | 0 | 0 | 0 | 0 | 110.9 | A411 Q417 S418 H419 M860 | A411-T415 PolarHBondContact O-N 3.24Å; T415-Q417 VanDerWaalsContact C-N 3.34Å; T415-Q417 PolarHBondContact O-N 2.72Å; T415-S418 PolarHBondContact O-N 3.26Å; T415-S418 PolarHBondContact O-OG 3.08Å; T415-H419 VanDerWaalsContact CG2-CD2 3.48Å; T415-H419 WeakPolarHBondContact CG2-CD2 3.47Å; T415-H419 PolarHBondContact O-CD2 3.45Å; T415-H419 VanDerWaalsContact O-CD2 3.25Å; T415-H419 PolarHBondContact O-N 3.04Å; T415-M860 PolarHBondContact N-SD 3.08Å; T415-M860 WeakPolarHBondContact OG1-CE 3.29Å; T415-M860 PolarHBondContact OG1-SD 2.82Å |
| 416 | L | 78 | Confident | 73.3 | Confident | 101 Ų | 101 | 83.3 Ų | 83.3 | 53% | 0.529 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.4 | -41.2 | -179.8 | -69.3 | 168.7 | 0 | 0 | 0 | 112 | K412 V413 H419 L420 | K412-L416 WeakPolarHBondContact O-CG 3.1Å; K412-L416 PolarHBondContact O-N 3.02Å; K412-L416 VanDerWaalsContact O-N 3.15Å; V413-L416 PolarHBondContact O-N 3.47Å; L416-H419 PolarHBondContact O-N 3.13Å; L416-L420 WeakPolarHBondContact O-CB 3.48Å; L416-L420 VanDerWaalsContact O-CG 3.26Å; L416-L420 WeakPolarHBondContact O-CG 3.49Å; L416-L420 PolarHBondContact O-N 3.34Å |
| 417 | Q | 78.1 | Confident | 70.9 | Confident | 112 Ų | 112 | 85.5 Ų | 85.5 | 52% | 0.523 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 174.3 | -72.8 | 175.2 | -4 | 0 | 0 | 112.7 | V413 Q414 T415 L420 S421 | V413-Q417 HydrophobicContact CG1-CG 4.35Å; V413-Q417 WeakPolarHBondContact O-CG 3.41Å; V413-Q417 PolarHBondContact O-N 3.47Å; Q414-Q417 PolarHBondContact O-N 2.97Å; T415-Q417 VanDerWaalsContact C-N 3.34Å; T415-Q417 PolarHBondContact O-N 2.72Å; Q417-L420 PolarHBondContact O-N 3.46Å; Q417-S421 WeakPolarHBondContact O-CB 3.48Å; Q417-S421 PolarHBondContact O-N 2.82Å; Q417-S421 PolarHBondContact O-OG 2.92Å |
| 418 | S | 74 | Confident | 68.9 | Low | 62 Ų | 62 | 92.4 Ų | 92.4 | 43% | 0.434 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 175.9 | 73.8 | 0 | 0 | 0 | 0 | 112.2 | Q414 T415 L420 S421 S422 | Q414-S418 PolarHBondContact O-N 3.35Å; T415-S418 PolarHBondContact O-N 3.26Å; T415-S418 PolarHBondContact O-OG 3.08Å; S418-L420 PolarHBondContact O-N 2.72Å; S418-S421 PolarHBondContact O-N 3.13Å; S418-S421 VanDerWaalsContact O-N 3.12Å; S418-S422 PolarHBondContact O-N 2.71Å; S418-S422 PolarHBondContact O-OG 3.48Å |
| 419 | H | 76.8 | Confident | 66.5 | Low | 117 Ų | 117 | 98.7 Ų | 98.7 | 54% | 0.542 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.4 | -38.7 | 176.6 | -74.2 | -55.2 | 0 | 0 | 0 | 112.3 | T415 L416 S421 S422 | T415-H419 VanDerWaalsContact CG2-CD2 3.48Å; T415-H419 WeakPolarHBondContact CG2-CD2 3.47Å; T415-H419 PolarHBondContact O-CD2 3.45Å; T415-H419 VanDerWaalsContact O-CD2 3.25Å; T415-H419 PolarHBondContact O-N 3.04Å; L416-H419 PolarHBondContact O-N 3.13Å; H419-S421 VanDerWaalsContact C-N 3.28Å; H419-S421 PolarHBondContact O-N 3.26Å; H419-S422 PolarHBondContact O-N 3.02Å; H419-S422 PolarHBondContact O-OG 2.92Å |
| 420 | L | 72.4 | Confident | 64.1 | Low | 140 Ų | 140 | 103.5 Ų | 103.5 | 73% | 0.733 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.8 | -33.7 | 172.5 | -74 | 166.8 | 0 | 0 | 0 | 112.2 | L416 Q417 S418 | L416-L420 WeakPolarHBondContact O-CB 3.48Å; L416-L420 VanDerWaalsContact O-CG 3.26Å; L416-L420 WeakPolarHBondContact O-CG 3.49Å; L416-L420 PolarHBondContact O-N 3.34Å; Q417-L420 PolarHBondContact O-N 3.46Å; S418-L420 PolarHBondContact O-N 2.72Å |
| 421 | S | 71.2 | Confident | 61.9 | Low | 104 Ų | 104 | 105.6 Ų | 105.6 | 73% | 0.727 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -79.1 | -29.9 | 179.8 | -55.3 | 0 | 0 | 0 | 0 | 113.3 | Q417 S418 H419 G423 | Q417-S421 WeakPolarHBondContact O-CB 3.48Å; Q417-S421 PolarHBondContact O-N 2.82Å; Q417-S421 PolarHBondContact O-OG 2.92Å; S418-S421 PolarHBondContact O-N 3.13Å; S418-S421 VanDerWaalsContact O-N 3.12Å; H419-S421 VanDerWaalsContact C-N 3.28Å; H419-S421 PolarHBondContact O-N 3.26Å; S421-G423 VanDerWaalsContact C-N 3.26Å; S421-G423 PolarHBondContact O-N 3.31Å |
| 422 | S | 59.6 | Low | 60 | Low | 83 Ų | 83 | 111 Ų | 111 | 58% | 0.58 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | 8.2 | -177 | 61.2 | 0 | 0 | 0 | 0 | 115.1 | S418 H419 D424 | S418-S422 PolarHBondContact O-N 2.71Å; S418-S422 PolarHBondContact O-OG 3.48Å; H419-S422 PolarHBondContact O-N 3.02Å; H419-S422 PolarHBondContact O-OG 2.92Å; S422-D424 VanDerWaalsContact C-N 3.3Å; S422-D424 PolarHBondContact O-N 3.29Å; S422-D424 VanDerWaalsContact O-N 3.11Å |
| 423 | G | 48.9 | Very low | 57.8 | Low | 64 Ų | 64 | 113.5 Ų | 113.5 | 66% | 0.66 | 63% | 0.627 | S | S | * | * | trans | 76.6 | -6.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | S421 R425 | S421-G423 VanDerWaalsContact C-N 3.26Å; S421-G423 PolarHBondContact O-N 3.31Å; G423-R425 PolarHBondContact O-N 2.84Å; G423-R425 VanDerWaalsContact O-N 3.16Å | ||
| 424 | D | 44.7 | Very low | 55.6 | Low | 109 Ų | 109 | 117 Ų | 117 | 58% | 0.583 | 64% | 0.641 | S | S | * | * | trans | -83.9 | 92.7 | 179.6 | -163.6 | -12.3 | 0 | 0 | 0 | 112.3 | S422 S426 | S422-D424 VanDerWaalsContact C-N 3.3Å; S422-D424 PolarHBondContact O-N 3.29Å; S422-D424 VanDerWaalsContact O-N 3.11Å; D424-S426 PolarHBondContact O-N 2.96Å; D424-S426 VanDerWaalsContact OD1-CB 3.28Å; D424-S426 WeakPolarHBondContact OD1-CB 3.35Å; D424-S426 PolarHBondContact OD1-N 3.35Å; D424-S426 PolarHBondContact OD1-OG 2.73Å | ||
| 425 | R | 46.2 | Very low | 53.6 | Low | 244 Ų | 244 | 120.8 Ų | 120.8 | 92% | 0.921 | 66% | 0.663 | S | S | * | * | trans | -77.3 | 3.4 | 174.9 | -87 | -175.3 | 168.8 | -171.6 | -3.1 | 114.3 | G423 | G423-R425 PolarHBondContact O-N 2.84Å; G423-R425 VanDerWaalsContact O-N 3.16Å | ||
| 426 | S | 48.2 | Very low | 51.6 | Low | 92 Ų | 92 | 124.5 Ų | 124.5 | 64% | 0.643 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -98 | 5.5 | -160.6 | 74.8 | 0 | 0 | 0 | 0 | 117.6 | D424 | D424-S426 PolarHBondContact O-N 2.96Å; D424-S426 VanDerWaalsContact OD1-CB 3.28Å; D424-S426 WeakPolarHBondContact OD1-CB 3.35Å; D424-S426 PolarHBondContact OD1-N 3.35Å; D424-S426 PolarHBondContact OD1-OG 2.73Å |
| 427 | T | 41.1 | Very low | 49.8 | Very low | 113 Ų | 113 | 124.6 Ų | 124.6 | 69% | 0.693 | 69% | 0.694 | S | S | * | * | trans | -142.7 | 38 | 175.9 | -27.2 | 0 | 0 | 0 | 0 | 117.5 | K429 | T427-K429 VanDerWaalsContact C-N 3.31Å; T427-K429 PolarHBondContact O-N 3.19Å; T427-K429 VanDerWaalsContact O-N 3.11Å | ||
| 428 | I | 42.4 | Very low | 48.1 | Very low | 146 Ų | 146 | 124.7 Ų | 124.7 | 75% | 0.749 | 71% | 0.705 | S | S | * | * | trans | -83.6 | 78.9 | 162.8 | -52.9 | -179.8 | 0 | 0 | 0 | 109.4 | L430 | I428-L430 HydrophobicContact CG2-CD2 4.47Å; I428-L430 HydrophobicContact CG2-CG 4.2Å; I428-L430 PolarHBondContact O-N 2.83Å | ||
| 429 | K | 36.8 | Very low | 46.1 | Very low | 183 Ų | 183 | 127.4 Ų | 127.4 | 80% | 0.796 | 72% | 0.724 | S | S | * | * | trans | -79.4 | 97.8 | 161.6 | -82.4 | -171.8 | 176.3 | -178.9 | 0 | 108.5 | T427 T431 | T427-K429 VanDerWaalsContact C-N 3.31Å; T427-K429 PolarHBondContact O-N 3.19Å; T427-K429 VanDerWaalsContact O-N 3.11Å; K429-T431 PolarHBondContact O-N 3.03Å | ||
| 430 | L | 36.7 | Very low | 44.4 | Very low | 157 Ų | 157 | 129.2 Ų | 129.2 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | trans | -63.5 | 99.7 | 163.6 | -69.8 | 164.1 | 0 | 0 | 0 | 108.3 | I428 P432 | I428-L430 HydrophobicContact CG2-CD2 4.47Å; I428-L430 HydrophobicContact CG2-CG 4.2Å; I428-L430 PolarHBondContact O-N 2.83Å; L430-P432 WeakPolarHBondContact O-CD 3.37Å | ||
| 431 | T | 38.9 | Very low | 42.6 | Very low | 116 Ų | 116 | 126.3 Ų | 126.3 | 71% | 0.712 | 73% | 0.728 | S | S | * | * | trans | -77.9 | 113.2 | 165.5 | 41 | 0 | 0 | 0 | 0 | 108.5 | K429 D433 | K429-T431 PolarHBondContact O-N 3.03Å; T431-D433 PolarHBondContact O-N 2.68Å | ||
| 432 | P | 44.1 | Very low | 41 | Very low | 115 Ų | 115 | 128 Ų | 128 | 75% | 0.747 | 74% | 0.74 | S | S | * | * | trans | -86.3 | 54.7 | -172.6 | 37.5 | -36.3 | 0 | 0 | 0 | 111.8 | L430 I434 | L430-P432 WeakPolarHBondContact O-CD 3.37Å; P432-I434 VanDerWaalsContact C-N 3.26Å; P432-I434 PolarHBondContact O-N 2.74Å | ||
| 433 | D | 38.4 | Very low | 39.7 | Very low | 152 Ų | 152 | 127.7 Ų | 127.7 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | trans | -95.8 | 62.1 | 162.8 | -79.7 | -46.2 | 0 | 0 | 0 | 109.3 | T431 L435 | T431-D433 PolarHBondContact O-N 2.68Å; D433-L435 PolarHBondContact O-N 3.25Å | ||
| 434 | I | 35.7 | Very low | 39.1 | Very low | 145 Ų | 145 | 131.3 Ų | 131.3 | 74% | 0.744 | 74% | 0.74 | S | S | * | * | trans | -72.7 | 84.3 | 157.6 | -57.2 | 174.7 | 0 | 0 | 0 | 105.7 | P432 | P432-I434 VanDerWaalsContact C-N 3.26Å; P432-I434 PolarHBondContact O-N 2.74Å | ||
| 435 | L | 36 | Very low | 38.7 | Very low | 155 Ų | 155 | 130.7 Ų | 130.7 | 81% | 0.812 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 121.1 | 148.6 | -82.9 | 166.9 | 0 | 0 | 0 | 105.7 | D433 | D433-L435 PolarHBondContact O-N 3.25Š|
| 436 | P | 35.7 | Very low | 38.3 | Very low | 105 Ų | 105 | 124.3 Ų | 124.3 | 68% | 0.682 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 133.5 | -176.9 | 23.5 | -32.4 | 0 | 0 | 0 | 107.9 | ||
| 437 | P | 40.6 | Very low | 38.2 | Very low | 102 Ų | 102 | 125.1 Ų | 125.1 | 66% | 0.662 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 146.1 | 172.4 | 25.6 | -33.8 | 0 | 0 | 0 | 107.9 | S439 | P437-S439 PolarHBondContact O-N 3.09Å; P437-S439 VanDerWaalsContact O-N 3.09Å |
| 438 | P | 40.9 | Very low | 38.2 | Very low | 115 Ų | 115 | 125.6 Ų | 125.6 | 75% | 0.747 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 128 | 178.9 | 23.2 | -33.5 | 0 | 0 | 0 | 107.4 | L440 | P438-L440 PolarHBondContact O-N 3.28Š|
| 439 | S | 33.6 | Very low | 37.8 | Very low | 119 Ų | 119 | 121.8 Ų | 121.8 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | trans | -65.6 | 84.5 | -169.6 | 53.3 | 0 | 0 | 0 | 0 | 109.8 | P437 S441 | P437-S439 PolarHBondContact O-N 3.09Å; P437-S439 VanDerWaalsContact O-N 3.09Å; S439-S441 PolarHBondContact O-N 2.75Å | ||
| 440 | L | 39.8 | Very low | 38 | Very low | 154 Ų | 154 | 120.5 Ų | 120.5 | 81% | 0.806 | 74% | 0.737 | S | S | * | * | trans | -61.2 | 94.3 | 161.6 | -70.8 | 170.1 | 0 | 0 | 0 | 104.9 | P438 S442 | P438-L440 PolarHBondContact O-N 3.28Å; L440-S442 PolarHBondContact O-N 3.26Å | ||
| 441 | S | 35.9 | Very low | 38.1 | Very low | 80 Ų | 80 | 117.9 Ų | 117.9 | 56% | 0.559 | 73% | 0.73 | S | S | * | * | trans | -50.3 | 140 | 167.8 | 56.4 | 0 | 0 | 0 | 0 | 107.2 | S439 S443 | S439-S441 PolarHBondContact O-N 2.75Å; S441-S443 PolarHBondContact O-N 2.92Å; S441-S443 PolarHBondContact OG-OG 3.11Å | ||
| 442 | S | 36.3 | Very low | 38.2 | Very low | 139 Ų | 139 | 117.8 Ų | 117.8 | 97% | 0.972 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -71.9 | 40.7 | -179.4 | 56.2 | 0 | 0 | 0 | 0 | 112.4 | L440 | L440-S442 PolarHBondContact O-N 3.26Š|
| 443 | S | 33.4 | Very low | 38.2 | Very low | 76 Ų | 76 | 117 Ų | 117 | 53% | 0.531 | 73% | 0.726 | S | S | . | * | trans | -126.6 | 49.7 | 175.7 | 65.5 | 0 | 0 | 0 | 0 | 107.8 | S441 P445 | S441-S443 PolarHBondContact O-N 2.92Å; S441-S443 PolarHBondContact OG-OG 3.11Å; S443-P445 WeakPolarHBondContact O-CD 3.41Å | ||
| 444 | I | 36.7 | Very low | 38.5 | Very low | 141 Ų | 141 | 115 Ų | 115 | 72% | 0.723 | 72% | 0.721 | S | S | * | * | trans | -60.7 | 109.6 | 147.3 | -65.4 | 173.8 | 0 | 0 | 0 | 103.3 | ||||
| 445 | P | 35.7 | Very low | 38.7 | Very low | 96 Ų | 96 | 113.5 Ų | 113.5 | 62% | 0.623 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 149.4 | 169.3 | -11.5 | 28.5 | 0 | 0 | 0 | 106.4 | S443 | S443-P445 WeakPolarHBondContact O-CD 3.41Š|
| 446 | P | 38.2 | Very low | 38.8 | Very low | 110 Ų | 110 | 114.3 Ų | 114.3 | 71% | 0.714 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 140.7 | 166.6 | 25.3 | -33.9 | 0 | 0 | 0 | 107.8 | ||
| 447 | P | 45 | Very low | 39 | Very low | 109 Ų | 109 | 117.8 Ų | 117.8 | 71% | 0.708 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -49 | 134.6 | 178.7 | 23.1 | -33.8 | 0 | 0 | 0 | 107.3 | G449 | P447-G449 WeakPolarHBondContact O-CA 3.2Å; P447-G449 PolarHBondContact O-N 2.66Å |
| 448 | P | 41.8 | Very low | 38.8 | Very low | 123 Ų | 123 | 116.1 Ų | 116.1 | 80% | 0.799 | 73% | 0.731 | S | S | * | * | trans | -51 | 113.7 | -177.2 | 21.6 | -32.5 | 0 | 0 | 0 | 106.1 | I450 | P448-I450 PolarHBondContact O-N 3.09Š| ||
| 449 | G | 33.1 | Very low | 38.7 | Very low | 66 Ų | 66 | 116.8 Ų | 116.8 | 68% | 0.68 | 73% | 0.733 | S | S | * | * | trans | -53.2 | 122.4 | -166.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | P447 P451 | P447-G449 WeakPolarHBondContact O-CA 3.2Å; P447-G449 PolarHBondContact O-N 2.66Å; G449-P451 VanDerWaalsContact O-CD 3.27Å; G449-P451 WeakPolarHBondContact O-CD 3.39Å | ||
| 450 | I | 41.3 | Very low | 39.1 | Very low | 155 Ų | 155 | 115.1 Ų | 115.1 | 80% | 0.795 | 72% | 0.719 | S | S | * | * | trans | -46.4 | 111.7 | -177.9 | -62.1 | 169.8 | 0 | 0 | 0 | 105 | P448 P452 | P448-I450 PolarHBondContact O-N 3.09Å; I450-P452 VanDerWaalsContact O-N 3.13Å | ||
| 451 | P | 40 | Very low | 39.3 | Very low | 103 Ų | 103 | 112.1 Ų | 112.1 | 67% | 0.669 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 130.1 | 179.5 | 22.3 | -31.1 | 0 | 0 | 0 | 104.9 | G449 | G449-P451 VanDerWaalsContact O-CD 3.27Å; G449-P451 WeakPolarHBondContact O-CD 3.39Å |
| 452 | P | 40.7 | Very low | 39.9 | Very low | 113 Ų | 113 | 113.5 Ų | 113.5 | 73% | 0.734 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -51 | 133.4 | -177.5 | 22.7 | -33.1 | 0 | 0 | 0 | 106.8 | I450 P454 | I450-P452 VanDerWaalsContact O-N 3.13Å; P452-P454 VanDerWaalsContact O-N 3.1Å |
| 453 | P | 43.6 | Very low | 40.8 | Very low | 100 Ų | 100 | 110.3 Ų | 110.3 | 65% | 0.649 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 128.1 | -173.8 | 20.6 | -32.3 | 0 | 0 | 0 | 107.4 | ||
| 454 | P | 44 | Very low | 41.2 | Very low | 109 Ų | 109 | 110.9 Ų | 110.9 | 71% | 0.708 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 143.4 | 173.7 | 24.2 | -33 | 0 | 0 | 0 | 107.1 | P452 M456 | P452-P454 VanDerWaalsContact O-N 3.1Å; P454-M456 PolarHBondContact O-N 2.85Å; P454-M456 VanDerWaalsContact O-N 3.13Å |
| 455 | P | 40.3 | Very low | 41.8 | Very low | 114 Ų | 114 | 109.8 Ų | 109.8 | 74% | 0.74 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -46.8 | 128.2 | -173.9 | -28 | 34.3 | 0 | 0 | 0 | 109.8 | E457 | P455-E457 PolarHBondContact O-N 3.29Š|
| 456 | M | 39.4 | Very low | 42.8 | Very low | 171 Ų | 171 | 110.7 Ų | 110.7 | 84% | 0.842 | 70% | 0.702 | S | S | * | * | trans | -68.6 | 77.7 | 173.3 | -75.8 | -174.4 | 171.8 | 0 | 0 | 108.4 | P454 G458 | P454-M456 PolarHBondContact O-N 2.85Å; P454-M456 VanDerWaalsContact O-N 3.13Å; M456-G458 PolarHBondContact O-N 3.34Å | ||
| 457 | E | 39.7 | Very low | 43.1 | Very low | 179 Ų | 179 | 111 Ų | 111 | 84% | 0.836 | 70% | 0.704 | S | S | * | * | trans | -55.6 | 122.2 | 155.6 | -65.8 | -169.9 | 170.2 | 0 | 0 | 106.1 | P455 V459 | P455-E457 PolarHBondContact O-N 3.29Å; E457-V459 PolarHBondContact O-N 3.33Å | ||
| 458 | G | 35.8 | Very low | 43.1 | Very low | 67 Ų | 67 | 111.5 Ų | 111.5 | 69% | 0.691 | 71% | 0.707 | S | S | * | * | trans | -56.1 | 126.1 | -152.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | M456 P460 | M456-G458 PolarHBondContact O-N 3.34Å; G458-P460 WeakPolarHBondContact O-CD 3.24Å | ||
| 459 | V | 37.8 | Very low | 43.4 | Very low | 128 Ų | 128 | 111.1 Ų | 111.1 | 78% | 0.776 | 71% | 0.705 | S | S | * | * | trans | -49 | 114.5 | 173.2 | 179.6 | 0 | 0 | 0 | 0 | 108.4 | E457 | E457-V459 PolarHBondContact O-N 3.33Š| ||
| 460 | P | 43.3 | Very low | 43.8 | Very low | 85 Ų | 85 | 113.6 Ų | 113.6 | 55% | 0.552 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 148.5 | 178.3 | 27.3 | -33 | 0 | 0 | 0 | 109.4 | G458 | G458-P460 WeakPolarHBondContact O-CD 3.24Š|
| 461 | P | 43 | Very low | 43.9 | Very low | 91 Ų | 91 | 111.8 Ų | 111.8 | 59% | 0.591 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 148.5 | -178.1 | 27.8 | -34.9 | 0 | 0 | 0 | 110.8 | ||
| 462 | P | 49.8 | Very low | 44.4 | Very low | 108 Ų | 108 | 112.1 Ų | 112.1 | 70% | 0.701 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 150.2 | -175.7 | 24.7 | -34.7 | 0 | 0 | 0 | 112.3 | ||
| 463 | P | 54.4 | Low | 44.3 | Very low | 73 Ų | 73 | 113 Ų | 113 | 47% | 0.474 | 72% | 0.715 | S | S | . | * | P | Polyproline II helix | trans | -63.9 | 152 | -174.9 | 25.2 | -34 | 0 | 0 | 0 | 112.4 | ||
| 464 | P | 42.6 | Very low | 43.9 | Very low | 88 Ų | 88 | 117.9 Ų | 117.9 | 57% | 0.571 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 148.4 | 177 | 30 | -34.4 | 0 | 0 | 0 | 111 | ||
| 465 | P | 48.8 | Very low | 43.4 | Very low | 117 Ų | 117 | 116.2 Ų | 116.2 | 76% | 0.76 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 148.1 | 176.7 | 28 | -34.7 | 0 | 0 | 0 | 111.1 | ||
| 466 | P | 55.9 | Low | 43.1 | Very low | 116 Ų | 116 | 114.2 Ų | 114.2 | 75% | 0.753 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 150.8 | -179.4 | 25.1 | -34.4 | 0 | 0 | 0 | 111.9 | ||
| 467 | P | 44.7 | Very low | 42.8 | Very low | 116 Ų | 116 | 114.1 Ų | 114.1 | 75% | 0.753 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 141.1 | -178.4 | 25.6 | -34.2 | 0 | 0 | 0 | 111.1 | ||
| 468 | P | 44.5 | Very low | 42.8 | Very low | 119 Ų | 119 | 110.7 Ų | 110.7 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 139.4 | 179.9 | 26.2 | -33.8 | 0 | 0 | 0 | 110.6 | ||
| 469 | P | 49 | Very low | 42.9 | Very low | 116 Ų | 116 | 113 Ų | 113 | 75% | 0.753 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 148.2 | -179.3 | 25.2 | -33.9 | 0 | 0 | 0 | 111.5 | ||
| 470 | P | 42.1 | Very low | 43 | Very low | 117 Ų | 117 | 112.5 Ų | 112.5 | 76% | 0.76 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 139 | -176.7 | 25 | -34 | 0 | 0 | 0 | 111.3 | ||
| 471 | P | 42.1 | Very low | 42.9 | Very low | 117 Ų | 117 | 114.1 Ų | 114.1 | 76% | 0.76 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 139.2 | -177.4 | 26.2 | -33.9 | 0 | 0 | 0 | 111.2 | ||
| 472 | P | 50.1 | Low | 42.8 | Very low | 111 Ų | 111 | 115 Ų | 115 | 72% | 0.721 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 158.4 | -179.9 | 26.6 | -34.1 | 0 | 0 | 0 | 112.3 | M474 | P472-M474 PolarHBondContact O-N 2.77Š|
| 473 | P | 39.4 | Very low | 42.4 | Very low | 131 Ų | 131 | 116.1 Ų | 116.1 | 85% | 0.851 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 131.6 | -167.7 | -21.8 | 33 | 0 | 0 | 0 | 113.4 | G475 | P473-G475 PolarHBondContact O-N 2.88Š|
| 474 | M | 35 | Very low | 41.8 | Very low | 203 Ų | 203 | 121.4 Ų | 121.4 | 100% | 1 | 78% | 0.775 | S | S | * | * | trans | -68.9 | 90.7 | 177.5 | -71.4 | -161.9 | -172.9 | 0 | 0 | 112.1 | P472 | P472-M474 PolarHBondContact O-N 2.77Š| ||
| 475 | G | 34.2 | Very low | 41.5 | Very low | 74 Ų | 74 | 120 Ų | 120 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | trans | -88.8 | 107.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P473 | P473-G475 PolarHBondContact O-N 2.88Š| ||
| 476 | G | 33 | Very low | 40.8 | Very low | 72 Ų | 72 | 120.3 Ų | 120.3 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | trans | 62.4 | 104.2 | 150.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | P478 | G476-P478 WeakPolarHBondContact O-CD 3.43Š| ||
| 477 | I | 34.2 | Very low | 40.1 | Very low | 168 Ų | 168 | 122.5 Ų | 122.5 | 86% | 0.862 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -69 | 120.2 | 171 | -58.3 | 159.7 | 0 | 0 | 0 | 110.6 | ||
| 478 | P | 39.7 | Very low | 39.9 | Very low | 107 Ų | 107 | 122.1 Ų | 122.1 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 147.6 | 163.8 | 32.3 | -32.2 | 0 | 0 | 0 | 110.7 | G476 | G476-P478 WeakPolarHBondContact O-CD 3.43Š|
| 479 | P | 36.7 | Very low | 39.9 | Very low | 115 Ų | 115 | 122 Ų | 122 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 155 | -168.7 | 29.7 | -36.1 | 0 | 0 | 0 | 113.8 | ||
| 480 | P | 39.7 | Very low | 39.9 | Very low | 119 Ų | 119 | 122.2 Ų | 122.2 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 142.1 | -177.3 | 29.9 | -35.4 | 0 | 0 | 0 | 112.6 | ||
| 481 | P | 42.6 | Very low | 40 | Very low | 119 Ų | 119 | 122.3 Ų | 122.3 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 149.9 | 171.5 | 29.7 | -33.9 | 0 | 0 | 0 | 111.7 | ||
| 482 | P | 41.1 | Very low | 40.4 | Very low | 110 Ų | 110 | 122.3 Ų | 122.3 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 154.6 | -171.3 | 29.8 | -35.9 | 0 | 0 | 0 | 113.9 | M484 | P482-M484 PolarHBondContact O-N 3.15Š|
| 483 | P | 40.4 | Very low | 40.4 | Very low | 131 Ų | 131 | 123.4 Ų | 123.4 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | trans | -77.6 | 108.9 | -172.3 | 30.6 | -34.9 | 0 | 0 | 0 | 112.5 | G485 | P483-G485 PolarHBondContact O-N 3.02Š| ||
| 484 | M | 41.7 | Very low | 40.5 | Very low | 184 Ų | 184 | 126.1 Ų | 126.1 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | trans | -85.2 | 110.5 | 172 | -81.7 | -70 | -79.6 | 0 | 0 | 112 | P482 | P482-M484 PolarHBondContact O-N 3.15Š| ||
| 485 | G | 37.6 | Very low | 40.7 | Very low | 59 Ų | 59 | 119.8 Ų | 119.8 | 61% | 0.608 | 78% | 0.782 | S | S | * | * | trans | 49.2 | 106.3 | 138.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | P483 I487 | P483-G485 PolarHBondContact O-N 3.02Å; G485-I487 PolarHBondContact O-N 2.77Å | ||
| 486 | S | 34.2 | Very low | 40.6 | Very low | 123 Ų | 123 | 120.2 Ų | 120.2 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -43.3 | 118.9 | 162.6 | 51.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 487 | I | 41.1 | Very low | 41.1 | Very low | 162 Ų | 162 | 123.3 Ų | 123.3 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 133.1 | 163.8 | -65.1 | 170 | 0 | 0 | 0 | 108.2 | G485 | G485-I487 PolarHBondContact O-N 2.77Š|
| 488 | P | 39.1 | Very low | 41.5 | Very low | 107 Ų | 107 | 120.4 Ų | 120.4 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 159.8 | -172.6 | 29.8 | -35.6 | 0 | 0 | 0 | 113.6 | ||
| 489 | P | 46 | Very low | 41.9 | Very low | 118 Ų | 118 | 121 Ų | 121 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 155.2 | -177.8 | 28.9 | -36 | 0 | 0 | 0 | 113.3 | ||
| 490 | P | 48.2 | Very low | 42.3 | Very low | 120 Ų | 120 | 121 Ų | 121 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 149 | -178.2 | 28.1 | -35.3 | 0 | 0 | 0 | 112.7 | ||
| 491 | P | 43.3 | Very low | 42.6 | Very low | 119 Ų | 119 | 121 Ų | 121 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -72 | 154.1 | -174.8 | 29.3 | -35.5 | 0 | 0 | 0 | 113.1 | ||
| 492 | P | 50.5 | Low | 42.9 | Very low | 116 Ų | 116 | 122 Ų | 122 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 147.7 | 178.3 | -12.5 | 27.2 | 0 | 0 | 0 | 112.2 | M494 | P492-M494 PolarHBondContact O-N 3.42Š|
| 493 | P | 51 | Low | 42.8 | Very low | 134 Ų | 134 | 119.5 Ų | 119.5 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | trans | -69.9 | 113.7 | 178.7 | 27.6 | -33 | 0 | 0 | 0 | 111.6 | ||||
| 494 | M | 42.2 | Very low | 42.9 | Very low | 189 Ų | 189 | 123.2 Ų | 123.2 | 93% | 0.931 | 79% | 0.79 | S | S | * | * | trans | -67.3 | 135.5 | 172.1 | -91.2 | -89.8 | -156.4 | 0 | 0 | 112.2 | P492 | P492-M494 PolarHBondContact O-N 3.42Š| ||
| 495 | G | 37.5 | Very low | 42.7 | Very low | 70 Ų | 70 | 123.8 Ų | 123.8 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | trans | 59.7 | 95.2 | 141.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 496 | G | 33.9 | Very low | 43 | Very low | 83 Ų | 83 | 125.7 Ų | 125.7 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 137.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 497 | V | 42 | Very low | 43.3 | Very low | 137 Ų | 137 | 125.3 Ų | 125.3 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -84 | 132.7 | 162.2 | -174.1 | 0 | 0 | 0 | 0 | 107.5 | ||
| 498 | P | 43.1 | Very low | 43.4 | Very low | 107 Ų | 107 | 125.5 Ų | 125.5 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 154.2 | -173.7 | 27.4 | -35.3 | 0 | 0 | 0 | 112.8 | ||
| 499 | P | 47.8 | Very low | 43.7 | Very low | 119 Ų | 119 | 125.4 Ų | 125.4 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 148.5 | -177.6 | 28.7 | -35.2 | 0 | 0 | 0 | 112.2 | ||
| 500 | P | 45.4 | Very low | 43.9 | Very low | 114 Ų | 114 | 125.1 Ų | 125.1 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 160.2 | 179.8 | 30 | -35.5 | 0 | 0 | 0 | 112.6 | ||
| 501 | P | 45.9 | Very low | 44.4 | Very low | 119 Ų | 119 | 126.2 Ų | 126.2 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 145.6 | -170 | -19.8 | 33 | 0 | 0 | 0 | 113.8 | G503 | P501-G503 PolarHBondContact O-N 3.4Å; P501-G503 VanDerWaalsContact O-N 3.14Å |
| 502 | P | 48.9 | Very low | 45.6 | Very low | 141 Ų | 141 | 129.5 Ų | 129.5 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -78.4 | 98.3 | 178.3 | 31.6 | -33.8 | 0 | 0 | 0 | 111.3 | ||
| 503 | G | 39.2 | Very low | 47.1 | Very low | 58 Ų | 58 | 125.9 Ų | 125.9 | 60% | 0.598 | 76% | 0.763 | S | S | * | * | trans | -172.6 | 144.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | P501 | P501-G503 PolarHBondContact O-N 3.4Å; P501-G503 VanDerWaalsContact O-N 3.14Å | ||
| 504 | F | 41.8 | Very low | 48.6 | Very low | 208 Ų | 208 | 121.2 Ų | 121.2 | 91% | 0.912 | 73% | 0.732 | S | S | * | * | trans | 64.8 | 58.9 | -175.1 | -64.2 | -90.7 | 0 | 0 | 0 | 115.4 | S506 | F504-S506 PolarHBondContact O-N 3.11Š| ||
| 505 | Q | 38.4 | Very low | 50.7 | Low | 197 Ų | 197 | 117.3 Ų | 117.3 | 92% | 0.921 | 71% | 0.71 | S | S | * | * | trans | -65.2 | 87.2 | 141.9 | -76.1 | -177.1 | -12.3 | 0 | 0 | 108.3 | S507 | Q505-S507 PolarHBondContact O-N 2.86Å; Q505-S507 VanDerWaalsContact O-N 3.08Å | ||
| 506 | S | 44.1 | Very low | 52.7 | Low | 99 Ų | 99 | 117.3 Ų | 117.3 | 69% | 0.692 | 71% | 0.71 | S | S | * | * | trans | -64.3 | 107.6 | 162.5 | 58.2 | 0 | 0 | 0 | 0 | 107.4 | F504 K508 | F504-S506 PolarHBondContact O-N 3.11Å; S506-K508 VanDerWaalsContact C-N 3.26Å; S506-K508 PolarHBondContact O-N 3.35Å | ||
| 507 | S | 40.9 | Very low | 55.2 | Low | 115 Ų | 115 | 114.5 Ų | 114.5 | 80% | 0.804 | 68% | 0.675 | S | S | * | * | trans | -63 | 90.2 | 169.6 | 53.7 | 0 | 0 | 0 | 0 | 108.8 | Q505 | Q505-S507 PolarHBondContact O-N 2.86Å; Q505-S507 VanDerWaalsContact O-N 3.08Å | ||
| 508 | K | 42.5 | Very low | 57.2 | Low | 165 Ų | 165 | 116.3 Ų | 116.3 | 72% | 0.717 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -55 | 134 | 156.4 | -79.5 | -169.2 | 171.2 | -168.4 | 0 | 106.5 | S506 | S506-K508 VanDerWaalsContact C-N 3.26Å; S506-K508 PolarHBondContact O-N 3.35Å |
| 509 | P | 44.4 | Very low | 59.1 | Low | 105 Ų | 105 | 116.7 Ų | 116.7 | 68% | 0.682 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 146.9 | 164.7 | -18.2 | 30.5 | 0 | 0 | 0 | 108.2 | D511 | P509-D511 PolarHBondContact O-N 3.5Š|
| 510 | P | 51 | Low | 61 | Low | 113 Ų | 113 | 112.5 Ų | 112.5 | 73% | 0.734 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -55 | 129.1 | 170.4 | 25.9 | -33.1 | 0 | 0 | 0 | 107.9 | E512 | P510-E512 PolarHBondContact O-N 2.75Š|
| 511 | D | 58.4 | Low | 63 | Low | 143 Ų | 143 | 111.6 Ų | 111.6 | 77% | 0.765 | 63% | 0.628 | S | S | * | * | trans | -60.4 | 100.7 | 176.1 | -70.1 | -48.1 | 0 | 0 | 0 | 107.6 | P509 L513 | P509-D511 PolarHBondContact O-N 3.5Å; D511-L513 PolarHBondContact O-N 3.04Å; D511-L513 VanDerWaalsContact O-N 3.12Å | ||
| 512 | E | 68 | Low | 64.9 | Low | 188 Ų | 188 | 113.7 Ų | 113.7 | 88% | 0.879 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 116.5 | 178.9 | -72.1 | -172.7 | 159.9 | 0 | 0 | 108.4 | P510 | P510-E512 PolarHBondContact O-N 2.75Š|
| 513 | L | 83.1 | Confident | 66.8 | Low | 40 Ų | 40 | 108.1 Ų | 108.1 | 21% | 0.209 | 59% | 0.586 | C | S | . | * | P | Polyproline II helix | trans | -66.5 | 138.6 | 179.9 | -70 | 171.4 | 0 | 0 | 0 | 109.4 | D511 M517 P539 I751 | D511-L513 PolarHBondContact O-N 3.04Å; D511-L513 VanDerWaalsContact O-N 3.12Å; L513-M517 HydrophobicContact CB-CB 3.97Å; L513-M517 HydrophobicContact CD1-CB 4.5Å; L513-P539 HydrophobicContact CD2-CB 4.31Å; L513-P539 HydrophobicContact CD2-CG 3.9Å; L513-I751 HydrophobicContact CD1-CG2 4.33Å; L513-I751 HydrophobicContact CD2-CG2 4.35Å |
| 514 | P | 83 | Confident | 68.9 | Low | 35 Ų | 35 | 111.3 Ų | 111.3 | 23% | 0.227 | 59% | 0.594 | C | S | . | * | G | 310 helix | trans | -66.2 | 160.7 | -173.1 | 29.7 | -37 | 0 | 0 | 0 | 111.7 | G516 M517 P539 L542 | P514-G516 PolarHBondContact O-N 2.86Å; P514-M517 WeakPolarHBondContact O-CG 3.43Å; P514-M517 PolarHBondContact O-N 3.18Å; P514-P539 HydrophobicContact CG-CB 4.16Å; P514-L542 HydrophobicContact CG-CD1 4.39Å |
| 515 | F | 86.5 | Confident | 70.7 | Confident | 108 Ų | 108 | 103.7 Ų | 103.7 | 47% | 0.474 | 56% | 0.563 | S | S | . | * | G | 310 helix | trans | 58.2 | 18.6 | 174.5 | -42.2 | -63.4 | 0 | 0 | 0 | 115.7 | L542 K544 V549 | F515-L542 HydrophobicContact CE2-CB 3.95Å; F515-L542 WeakPolarHBondContact CE2-O 2.98Å; F515-L542 WeakPolarHBondContact CZ-O 3.39Å; F515-K544 HydrophobicContact CD1-CB 3.98Å; F515-K544 HydrophobicContact CD1-CG 4.25Å; F515-K544 HydrophobicContact CE1-CB 3.89Å; F515-K544 HydrophobicContact CZ-CB 4.36Å; F515-V549 HydrophobicContact CB-CG1 3.89Å; F515-V549 HydrophobicContact CD2-CG1 4.41Å; F515-V549 HydrophobicContact CD2-CG2 3.82Å; F515-V549 HydrophobicContact CE2-CG2 4.46Å; F515-V549 HydrophobicContact CG-CG1 4.47Å |
| 516 | G | 79.6 | Confident | 72.7 | Confident | 69 Ų | 69 | 101.7 Ų | 101.7 | 71% | 0.711 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | 80.3 | 15 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | P514 | P514-G516 PolarHBondContact O-N 2.86Š|
| 517 | M | 85 | Confident | 74.5 | Confident | 25 Ų | 25 | 99.8 Ų | 99.8 | 12% | 0.123 | 54% | 0.542 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 139.7 | 173.4 | -66.1 | -177.5 | 81.3 | 0 | 0 | 111 | L513 P514 L542 W548 V549 I751 | L513-M517 HydrophobicContact CB-CB 3.97Å; L513-M517 HydrophobicContact CD1-CB 4.5Å; P514-M517 WeakPolarHBondContact O-CG 3.43Å; P514-M517 PolarHBondContact O-N 3.18Å; M517-L542 HydrophobicContact SD-CD1 3.73Å; M517-W548 VanDerWaalsContact CE-O 3.26Å; M517-W548 WeakPolarHBondContact CE-O 3.04Å; M517-V549 HydrophobicContact CG-CG1 4.35Å; M517-V549 HydrophobicContact SD-CB 4.43Å; M517-V549 HydrophobicContact SD-CG2 4Å; M517-I751 HydrophobicContact CE-CB 4.17Å |
| 518 | K | 84.1 | Confident | 76.4 | Confident | 174 Ų | 174 | 98.8 Ų | 98.8 | 76% | 0.757 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -86.4 | 150.7 | 173.9 | -64.1 | 175.2 | -173.7 | 167.8 | 0 | 110.6 | K520 | K518-K520 PolarHBondContact O-N 3.02Š|
| 519 | P | 84.3 | Confident | 78.3 | Confident | 116 Ų | 116 | 91.2 Ų | 91.2 | 75% | 0.753 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 135.4 | 166 | -25.6 | 35.2 | 0 | 0 | 0 | 111 | ||
| 520 | K | 87.7 | Confident | 80.3 | Confident | 31 Ų | 31 | 89.4 Ų | 89.4 | 14% | 0.135 | 48% | 0.482 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 149 | -174.8 | -64.5 | -79.4 | 168.3 | -168.7 | 0 | 110.9 | K518 K522 E553 E749 I751 | K518-K520 PolarHBondContact O-N 3.02Å; K520-K522 PolarHBondContact O-N 3.41Å; K520-E553 WeakPolarHBondContact CD-OE1 3.42Å; K520-E553 VanDerWaalsContact NZ-CD 3.34Å; K520-E553 IonicContact NZ-OE1 3.29Å; K520-E553 PolarHBondContact NZ-OE1 3.05Å; K520-E553 IonicContact NZ-OE2 2.62Å; K520-E553 PolarHBondContact NZ-OE2 3.05Å; K520-E749 HydrophobicContact CB-CB 4.43Å; K520-I751 HydrophobicContact CG-CG2 4.05Å |
| 521 | K | 87.1 | Confident | 82.1 | Confident | 95 Ų | 95 | 87.5 Ų | 87.5 | 41% | 0.413 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 129.7 | -175.3 | -178.4 | 173.4 | 167.8 | -175.9 | 0 | 111.5 | Y523 E557 | K521-Y523 HydrophobicContact CB-CE2 4.33Å; K521-Y523 HydrophobicContact CD-CE1 3.77Å; K521-Y523 HydrophobicContact CG-CE1 4.03Å; K521-Y523 HydrophobicContact CG-CE2 4.46Å; K521-Y523 WeakPolarHBondContact O-CD2 3.12Å; K521-Y523 WeakPolarHBondContact O-CE2 3.27Å; K521-E557 WeakPolarHBondContact CD-OE1 3.43Å; K521-E557 WeakPolarHBondContact CE-OE1 3.21Å; K521-E557 IonicContact NZ-OE1 3.58Å; K521-E557 PolarHBondContact NZ-OE1 3.36Å; K521-E557 IonicContact NZ-OE2 2.83Å; K521-E557 PolarHBondContact NZ-OE2 3.21Å |
| 522 | K | 86 | Confident | 83.4 | Confident | 162 Ų | 162 | 80.7 Ų | 80.7 | 70% | 0.704 | 43% | 0.425 | S | S | * | . | trans | -89.5 | 115.6 | 178.9 | -170.9 | 170.9 | -170.5 | 163.3 | 0 | 111 | K520 E749 | K520-K522 PolarHBondContact O-N 3.41Å; K522-E749 WeakPolarHBondContact CB-OE1 3.44Å; K522-E749 WeakPolarHBondContact CD-OE1 3.23Å; K522-E749 WeakPolarHBondContact CG-OE1 3.32Å | ||
| 523 | Y | 87.6 | Confident | 84.3 | Confident | 25 Ų | 25 | 77.6 Ų | 77.6 | 10% | 0.098 | 42% | 0.415 | C | S | . | . | trans | -94.7 | 150.7 | 178.7 | -56.4 | -81.2 | 0 | 0 | 0 | 112.5 | K521 E557 L562 L736 N739 Y740 | K521-Y523 HydrophobicContact CB-CE2 4.33Å; K521-Y523 HydrophobicContact CD-CE1 3.77Å; K521-Y523 HydrophobicContact CG-CE1 4.03Å; K521-Y523 HydrophobicContact CG-CE2 4.46Å; K521-Y523 WeakPolarHBondContact O-CD2 3.12Å; K521-Y523 WeakPolarHBondContact O-CE2 3.27Å; Y523-E557 PolarHBondContact OH-OE1 3.23Å; Y523-L562 HydrophobicContact CE1-CD1 4.17Å; Y523-L736 WeakPolarHBondContact OH-CD1 3.42Å; Y523-N739 HydrophobicContact CE2-CB 4.35Å; Y523-Y740 AromaticContact CD1-CD2 3.56Å; Y523-Y740 HydrophobicContact CD1-CD2 3.56Å; Y523-Y740 HydrophobicContact CD1-CE2 4.1Å; Y523-Y740 HydrophobicContact CD2-CD2 4.24Å; Y523-Y740 HydrophobicContact CE1-CD2 4.11Å; Y523-Y740 AromaticContact CG-CD2 3.63Å; Y523-Y740 HydrophobicContact CG-CD2 3.63Å; Y523-Y740 HydrophobicContact CG-CE2 4.36Å | ||
| 524 | T | 83.1 | Confident | 84.8 | Confident | 124 Ų | 124 | 76 Ų | 76 | 76% | 0.761 | 41% | 0.406 | S | S | * | . | trans | -113.7 | 141.1 | 166.2 | 48.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 525 | L | 80.9 | Confident | 85.2 | Confident | 49 Ų | 49 | 80.4 Ų | 80.4 | 26% | 0.257 | 42% | 0.424 | S | S | . | . | trans | -113.6 | 127.5 | -176.4 | -59.3 | -176 | 0 | 0 | 0 | 111.1 | V527 M529 Y740 A743 | L525-V527 VanDerWaalsContact C-N 3.32Å; L525-M529 HydrophobicContact CD1-CB 4.47Å; L525-M529 HydrophobicContact CD1-CE 3.65Å; L525-M529 HydrophobicContact CD1-CG 4.37Å; L525-M529 HydrophobicContact CD2-CE 3.58Å; L525-M529 HydrophobicContact CG-CE 4.25Å; L525-Y740 HydrophobicContact CD2-CD1 4.22Å; L525-Y740 HydrophobicContact CD2-CD2 4.15Å; L525-Y740 HydrophobicContact CD2-CE1 3.83Å; L525-Y740 HydrophobicContact CD2-CE2 3.72Å; L525-Y740 HydrophobicContact CD2-CG 4.37Å; L525-A743 HydrophobicContact CD1-CB 4.01Å; L525-A743 HydrophobicContact CD2-CB 4.18Å; L525-A743 HydrophobicContact CG-CB 3.84Å | ||
| 526 | D | 80 | Confident | 85.5 | Confident | 154 Ų | 154 | 79 Ų | 79 | 82% | 0.824 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -75.1 | -23.8 | 175.4 | -53.4 | -49.3 | 0 | 0 | 0 | 112.4 | ||
| 527 | V | 81.7 | Confident | 86.1 | Confident | 60 Ų | 60 | 76.3 Ų | 76.3 | 36% | 0.364 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -131.6 | 143.2 | -179.4 | -67.5 | 0 | 0 | 0 | 0 | 111.8 | L525 M529 | L525-V527 VanDerWaalsContact C-N 3.32Å; V527-M529 HydrophobicContact CG2-CG 4.42Å; V527-M529 PolarHBondContact O-N 3.43Å |
| 528 | P | 79.9 | Confident | 86.3 | Confident | 94 Ų | 94 | 81.8 Ų | 81.8 | 61% | 0.61 | 41% | 0.41 | S | S | * | . | trans | -62.7 | 126.3 | 170.9 | -21.5 | 33.6 | 0 | 0 | 0 | 111.1 | S570 T571 | P528-S570 CarbonylContact O-C 3.56Å; P528-S570 WeakPolarHBondContact O-CA 3.44Å; P528-T571 PolarHBondContact O-N 2.98Å | ||
| 529 | M | 83.9 | Confident | 86.4 | Confident | 6 Ų | 6 | 76.2 Ų | 76.2 | 3% | 0.03 | 39% | 0.391 | C | S | . | . | B | Isolated β-bridge | trans | -113.7 | 155.3 | 179.9 | -65.1 | -157 | -67.6 | 0 | 0 | 112.6 | L525 V527 S566 T571 Y740 M741 | L525-M529 HydrophobicContact CD1-CB 4.47Å; L525-M529 HydrophobicContact CD1-CE 3.65Å; L525-M529 HydrophobicContact CD1-CG 4.37Å; L525-M529 HydrophobicContact CD2-CE 3.58Å; L525-M529 HydrophobicContact CG-CE 4.25Å; V527-M529 HydrophobicContact CG2-CG 4.42Å; V527-M529 PolarHBondContact O-N 3.43Å; M529-S566 VanDerWaalsContact SD-CA 3.58Å; M529-T571 VanDerWaalsContact C-CG2 3.42Å; M529-Y740 HydrophobicContact CE-CD1 3.29Å; M529-Y740 HydrophobicContact CE-CE1 3.31Å; M529-Y740 HydrophobicContact CE-CG 4.28Å; M529-Y740 HydrophobicContact SD-CD1 4.35Å; M529-Y740 HydrophobicContact SD-CE1 4.02Å; M529-M741 HydrophobicContact CE-CB 4.44Å; M529-M741 HydrophobicContact CE-CG 4.15Å |
| 530 | K | 86.1 | Confident | 86.5 | Confident | 66 Ų | 66 | 77 Ų | 77 | 29% | 0.287 | 39% | 0.389 | S | S | . | . | trans | -57.6 | 143.7 | 167.6 | -62.6 | 179 | -171.6 | -177.4 | 0 | 109.3 | F569 T571 M741 T764 K765 D766 | K530-F569 PolarHBondContact N-O 3.2Å; K530-T571 HydrophobicContact CG-CG2 4.15Å; K530-M741 HydrophobicContact CB-CE 4.34Å; K530-M741 VanDerWaalsContact O-CE 3.25Å; K530-M741 WeakPolarHBondContact O-CE 3.44Å; K530-T764 HydrophobicContact CB-CG2 4.38Å; K530-T764 HydrophobicContact CD-CG2 4.49Å; K530-K765 WeakPolarHBondContact CD-O 3.18Å; K530-K765 PolarHBondContact NZ-O 3.49Å; K530-D766 PolarHBondContact NZ-O 3.25Å | ||
| 531 | K | 87.6 | Confident | 86.6 | Confident | 73 Ų | 73 | 79.5 Ų | 79.5 | 32% | 0.317 | 40% | 0.402 | S | S | . | . | trans | -101.3 | 140.6 | -173.3 | -62.7 | -67.4 | 168.3 | -171.5 | 0 | 111.5 | N533 M741 A743 | K531-N533 PolarHBondContact O-N 3Å; K531-M741 WeakPolarHBondContact CD-O 3.16Å; K531-M741 WeakPolarHBondContact CE-O 3.47Å; K531-M741 PolarHBondContact NZ-O 3Å; K531-A743 PolarHBondContact NZ-O 3.13Å | ||
| 532 | A | 86.5 | Confident | 86.7 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 39% | 0.387 | C | S | . | . | trans | -83.7 | 99.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | W534 N742 F757 | A532-W534 HydrophobicContact CB-CD2 4.5Å; A532-W534 PolarHBondContact O-N 2.85Å; A532-N742 PolarHBondContact N-OD1 3.08Å; A532-N742 PolarHBondContact O-ND2 3.1Å; A532-N742 PolarHBondContact O-OD1 3.06Å; A532-F757 HydrophobicContact CB-CE1 4.42Å; A532-F757 HydrophobicContact CB-CE2 4.21Å; A532-F757 HydrophobicContact CB-CZ 3.64Å | ||
| 533 | N | 87.1 | Confident | 86.8 | Confident | 123 Ų | 123 | 70.6 Ų | 70.6 | 66% | 0.658 | 37% | 0.367 | S | S | * | . | trans | -77 | 61.7 | -177.9 | -66.8 | -23.3 | 0 | 0 | 0 | 111.7 | K531 | K531-N533 PolarHBondContact O-N 3Š| ||
| 534 | W | 92.7 | Very high | 86.8 | Confident | 6 Ų | 6 | 76 Ų | 76 | 2% | 0.023 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -89.1 | 163.8 | 174.5 | 61 | 27.1 | 0 | 0 | 0 | 112.7 | A532 L735 N739 N742 N747 A750 F753 F757 | A532-W534 HydrophobicContact CB-CD2 4.5Å; A532-W534 PolarHBondContact O-N 2.85Å; W534-L735 HydrophobicContact CH2-CD1 4.04Å; W534-N739 VanDerWaalsContact CH2-N 3.33Å; W534-N742 PolarHBondContact NE1-ND2 2.89Å; W534-N742 VanDerWaalsContact NE1-ND2 3.13Å; W534-N747 PolarHBondContact NE1-O 3.26Å; W534-N747 PolarHBondContact O-ND2 3.36Å; W534-A750 HydrophobicContact CZ2-CB 3.71Å; W534-F753 HydrophobicContact CB-CB 4.12Å; W534-F753 HydrophobicContact CD2-CB 3.92Å; W534-F753 HydrophobicContact CD2-CG 4.44Å; W534-F753 HydrophobicContact CE3-CB 3.75Å; W534-F753 AromaticContact CE3-CD1 3.75Å; W534-F753 HydrophobicContact CE3-CD1 3.75Å; W534-F753 AromaticContact CE3-CG 3.76Å; W534-F753 HydrophobicContact CE3-CG 3.76Å; W534-F753 HydrophobicContact CG-CB 4.12Å; W534-F753 HydrophobicContact CH2-CD1 4.36Å; W534-F753 HydrophobicContact CZ3-CB 4.35Å; W534-F753 AromaticContact CZ3-CD1 3.57Å; W534-F753 HydrophobicContact CZ3-CD1 3.57Å; W534-F753 HydrophobicContact CZ3-CE1 4.16Å; W534-F753 HydrophobicContact CZ3-CG 4.1Å; W534-F757 HydrophobicContact CB-CB 4.14Å; W534-F757 HydrophobicContact CB-CD1 4.13Å; W534-F757 HydrophobicContact CB-CD2 3.62Å; W534-F757 HydrophobicContact CB-CE2 4.08Å; W534-F757 HydrophobicContact CB-CG 3.66Å; W534-F757 AromaticContact CE3-CD1 3.98Å; W534-F757 HydrophobicContact CE3-CD1 3.98Å; W534-F757 AromaticContact CE3-CE1 3.86Å; W534-F757 HydrophobicContact CE3-CE1 3.86Å; W534-F757 HydrophobicContact CE3-CZ 4.44Å |
| 535 | E | 91.4 | Very high | 87 | Confident | 129 Ų | 129 | 75.4 Ų | 75.4 | 60% | 0.603 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -100.8 | 137.2 | 164.2 | -61.8 | -147.2 | -160.8 | 0 | 0 | 109.8 | F753 E754 | E535-F753 VanDerWaalsContact O-CA 3.27Å; E535-F753 WeakPolarHBondContact O-CA 3.42Å; E535-E754 HydrophobicContact CB-CB 4.48Å; E535-E754 HydrophobicContact CB-CG 3.97Å; E535-E754 PolarHBondContact O-N 3.26Å; E535-E754 VanDerWaalsContact O-N 3.08Å |
| 536 | K | 93 | Very high | 87.7 | Confident | 77 Ų | 77 | 73.1 Ų | 73.1 | 34% | 0.335 | 37% | 0.371 | S | S | . | . | B | Isolated β-bridge | trans | -82.1 | 133.6 | -177.9 | -75.3 | 180 | 163.4 | 173.6 | 0 | 111 | K538 R746 N747 A748 A750 | K536-K538 PolarHBondContact O-N 3.09Å; K536-R746 WeakPolarHBondContact CE-O 3.44Å; K536-R746 PolarHBondContact NZ-O 3.47Å; K536-N747 WeakPolarHBondContact CE-O 3.47Å; K536-A748 WeakPolarHBondContact CE-O 3.48Å; K536-A748 PolarHBondContact NZ-O 3.12Å; K536-A750 HydrophobicContact CD-CB 4.32Å; K536-A750 HydrophobicContact CG-CB 3.84Å |
| 537 | I | 92 | Very high | 88.4 | Confident | 14 Ų | 14 | 65.8 Ų | 65.8 | 7% | 0.072 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 130.3 | 164 | -65.6 | 173.6 | 0 | 0 | 0 | 108.6 | M541 L542 W548 G752 F753 A877 | I537-M541 HydrophobicContact CG2-CB 4.32Å; I537-L542 HydrophobicContact CG2-CD2 3.84Å; I537-L542 HydrophobicContact CG2-CG 4.33Å; I537-W548 HydrophobicContact CD1-CD2 4.05Å; I537-W548 HydrophobicContact CD1-CG 4.21Å; I537-W548 HydrophobicContact CD1-CZ2 3.72Å; I537-G752 PolarHBondContact N-O 2.76Å; I537-F753 WeakPolarHBondContact CD1-O 3.27Å; I537-A877 HydrophobicContact CD1-CB 4.35Å; I537-A877 HydrophobicContact CG2-CB 4.02Å |
| 538 | K | 88.9 | Confident | 89 | Confident | 140 Ų | 140 | 62.9 Ų | 62.9 | 61% | 0.609 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -83.6 | 142.4 | -179.9 | -60.8 | 171.3 | -175.1 | 164.2 | 0 | 109.3 | K536 N540 M541 | K536-K538 PolarHBondContact O-N 3.09Å; K538-N540 WeakPolarHBondContact CB-OD1 3.43Å; K538-N540 PolarHBondContact O-N 3.41Å; K538-M541 HydrophobicContact CB-CG 4.24Å; K538-M541 WeakPolarHBondContact O-CB 3.48Å; K538-M541 PolarHBondContact O-N 3.15Å |
| 539 | P | 87 | Confident | 89.6 | Confident | 56 Ų | 56 | 59.8 Ų | 59.8 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -53.3 | -34.4 | -178.5 | -25.1 | 30.6 | 0 | 0 | 0 | 114.2 | L513 P514 M541 L542 I751 | L513-P539 HydrophobicContact CD2-CB 4.31Å; L513-P539 HydrophobicContact CD2-CG 3.9Å; P514-P539 HydrophobicContact CG-CB 4.16Å; P539-M541 PolarHBondContact O-N 2.94Å; P539-L542 PolarHBondContact O-N 2.99Å; P539-I751 HydrophobicContact CB-CD1 4.16Å; P539-I751 HydrophobicContact CG-CD1 3.83Å |
| 540 | N | 87.1 | Confident | 89.9 | Confident | 134 Ų | 134 | 63 Ų | 63 | 72% | 0.717 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -74.9 | -3.8 | -179.8 | 73 | -52.3 | 0 | 0 | 0 | 115.1 | K538 | K538-N540 WeakPolarHBondContact CB-OD1 3.43Å; K538-N540 PolarHBondContact O-N 3.41Å |
| 541 | M | 88.1 | Confident | 90.1 | Very high | 83 Ų | 83 | 60.1 Ų | 60.1 | 41% | 0.409 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -94.5 | -10.1 | 173.4 | -64.1 | -68.4 | -62.1 | 0 | 0 | 112.6 | I537 K538 P539 D879 | I537-M541 HydrophobicContact CG2-CB 4.32Å; K538-M541 HydrophobicContact CB-CG 4.24Å; K538-M541 WeakPolarHBondContact O-CB 3.48Å; K538-M541 PolarHBondContact O-N 3.15Å; P539-M541 PolarHBondContact O-N 2.94Å; M541-D879 HydrophobicContact CE-CB 4.44Å |
| 542 | L | 89.3 | Confident | 90.1 | Very high | 15 Ų | 15 | 61.4 Ų | 61.4 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | trans | -79.2 | 132.9 | -176.3 | -66.1 | 177.6 | 0 | 0 | 0 | 111.6 | P514 F515 M517 I537 P539 W548 V549 I751 A877 | P514-L542 HydrophobicContact CG-CD1 4.39Å; F515-L542 HydrophobicContact CE2-CB 3.95Å; F515-L542 WeakPolarHBondContact CE2-O 2.98Å; F515-L542 WeakPolarHBondContact CZ-O 3.39Å; M517-L542 HydrophobicContact SD-CD1 3.73Å; I537-L542 HydrophobicContact CG2-CD2 3.84Å; I537-L542 HydrophobicContact CG2-CG 4.33Å; P539-L542 PolarHBondContact O-N 2.99Å; L542-W548 HydrophobicContact CD2-CB 3.89Å; L542-W548 HydrophobicContact CD2-CG 4.26Å; L542-V549 HydrophobicContact CB-CG2 4.39Å; L542-V549 HydrophobicContact CD1-CG2 4.24Å; L542-I751 HydrophobicContact CD1-CD1 3.75Å; L542-I751 HydrophobicContact CD1-CG1 4.45Å; L542-A877 HydrophobicContact CD2-CB 3.86Å | ||
| 543 | D | 89.6 | Confident | 90.1 | Very high | 55 Ų | 55 | 61.5 Ų | 61.5 | 29% | 0.294 | 30% | 0.304 | S | S | . | . | trans | -91.7 | 159 | 161.3 | -160.4 | -62.1 | 0 | 0 | 0 | 109.3 | D545 S546 V549 K874 | D543-D545 PolarHBondContact O-N 3.05Å; D543-D545 PolarHBondContact OD1-N 3Å; D543-S546 WeakPolarHBondContact O-CB 3.05Å; D543-S546 PolarHBondContact O-N 2.83Å; D543-S546 VanDerWaalsContact O-N 3.12Å; D543-V549 WeakPolarHBondContact O-CG2 3.46Å; D543-K874 HydrophobicContact CB-CB 4.14Å; D543-K874 IonicContact OD2-NZ 3.98Å | ||
| 544 | K | 87.5 | Confident | 89.8 | Confident | 138 Ų | 138 | 59.6 Ų | 59.6 | 60% | 0.6 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -37.6 | 179.3 | -179.2 | -171.6 | 170.8 | -165.3 | 0 | 111.7 | F515 S546 | F515-K544 HydrophobicContact CD1-CB 3.98Å; F515-K544 HydrophobicContact CD1-CG 4.25Å; F515-K544 HydrophobicContact CE1-CB 3.89Å; F515-K544 HydrophobicContact CZ-CB 4.36Å; K544-S546 VanDerWaalsContact C-N 3.27Å; K544-S546 PolarHBondContact O-N 3.25Å |
| 545 | D | 87.4 | Confident | 89.4 | Confident | 112 Ų | 112 | 66 Ų | 66 | 60% | 0.599 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | 3.8 | -177.3 | -61.2 | -28.2 | 0 | 0 | 0 | 112.5 | D543 Q550 | D543-D545 PolarHBondContact O-N 3.05Å; D543-D545 PolarHBondContact OD1-N 3Å; D545-Q550 PolarHBondContact O-NE2 3.37Å |
| 546 | S | 94.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | -61.5 | 141.2 | 179 | -178.5 | 0 | 0 | 0 | 0 | 112.9 | D543 K544 W548 V549 Y875 | D543-S546 WeakPolarHBondContact O-CB 3.05Å; D543-S546 PolarHBondContact O-N 2.83Å; D543-S546 VanDerWaalsContact O-N 3.12Å; K544-S546 VanDerWaalsContact C-N 3.27Å; K544-S546 PolarHBondContact O-N 3.25Å; S546-W548 PolarHBondContact O-N 3.43Å; S546-W548 VanDerWaalsContact O-N 3.16Å; S546-W548 VanDerWaalsContact OG-CD1 3.31Å; S546-V549 PolarHBondContact O-N 3.01Å; S546-V549 VanDerWaalsContact O-N 3.12Å; S546-Y875 CarbonylContact C-O 3.59Å; S546-Y875 VanDerWaalsContact CA-O 3.29Å; S546-Y875 WeakPolarHBondContact CA-O 3.49Å; S546-Y875 WeakPolarHBondContact CB-O 3.49Å; S546-Y875 PolarHBondContact OG-O 3.33Å | ||
| 547 | V | 94.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -51.6 | -42.3 | 179.4 | 71.5 | 0 | 0 | 0 | 0 | 111.6 | V549 Q550 L551 K728 L731 Y875 L876 | V547-V549 VanDerWaalsContact C-N 3.31Å; V547-V549 PolarHBondContact O-N 3.07Å; V547-Q550 CarbonylContact O-C 3.53Å; V547-Q550 WeakPolarHBondContact O-CA 3.33Å; V547-Q550 WeakPolarHBondContact O-CB 3.27Å; V547-Q550 PolarHBondContact O-N 3.31Å; V547-L551 HydrophobicContact CG2-CD2 4.14Å; V547-L551 WeakPolarHBondContact O-CG 3.31Å; V547-L551 PolarHBondContact O-N 3.02Å; V547-K728 HydrophobicContact CG2-CB 4.27Å; V547-K728 HydrophobicContact CG2-CD 4.13Å; V547-K728 HydrophobicContact CG2-CG 3.75Å; V547-L731 HydrophobicContact CG1-CD1 4.11Å; V547-L731 HydrophobicContact CG2-CD1 4.35Å; V547-Y875 HydrophobicContact CB-CD1 4.43Å; V547-Y875 HydrophobicContact CB-CD2 4.23Å; V547-Y875 HydrophobicContact CB-CE1 3.96Å; V547-Y875 HydrophobicContact CB-CE2 3.74Å; V547-Y875 HydrophobicContact CG2-CE1 4.28Å; V547-Y875 HydrophobicContact CG2-CE2 4.24Å; V547-Y875 WeakPolarHBondContact CG2-OH 3.15Å; V547-Y875 PolarHBondContact N-O 2.6Å; V547-L876 HydrophobicContact CG1-CD2 3.99Å |
| 548 | W | 95.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -64.5 | -29 | -175.7 | -51.7 | 110 | 0 | 0 | 0 | 114.1 | M517 I537 L542 S546 L551 L731 L735 F753 I755 L876 | M517-W548 VanDerWaalsContact CE-O 3.26Å; M517-W548 WeakPolarHBondContact CE-O 3.04Å; I537-W548 HydrophobicContact CD1-CD2 4.05Å; I537-W548 HydrophobicContact CD1-CG 4.21Å; I537-W548 HydrophobicContact CD1-CZ2 3.72Å; L542-W548 HydrophobicContact CD2-CB 3.89Å; L542-W548 HydrophobicContact CD2-CG 4.26Å; S546-W548 PolarHBondContact O-N 3.43Å; S546-W548 VanDerWaalsContact O-N 3.16Å; S546-W548 VanDerWaalsContact OG-CD1 3.31Å; W548-L551 HydrophobicContact CE3-CD1 3.59Å; W548-L551 HydrophobicContact CZ3-CD1 3.99Å; W548-L731 HydrophobicContact CH2-CB 4.43Å; W548-L731 HydrophobicContact CH2-CD1 4.48Å; W548-L731 HydrophobicContact CH2-CD2 4.19Å; W548-L731 HydrophobicContact CZ3-CB 4.44Å; W548-L735 HydrophobicContact CE3-CD2 4.4Å; W548-F753 AromaticContact CH2-CD1 3.69Å; W548-F753 HydrophobicContact CH2-CD1 3.69Å; W548-F753 HydrophobicContact CH2-CD2 4.1Å; W548-F753 AromaticContact CH2-CE1 3.57Å; W548-F753 HydrophobicContact CH2-CE1 3.57Å; W548-F753 HydrophobicContact CH2-CE2 4.01Å; W548-F753 AromaticContact CH2-CG 3.94Å; W548-F753 HydrophobicContact CH2-CG 3.94Å; W548-F753 AromaticContact CH2-CZ 3.74Å; W548-F753 HydrophobicContact CH2-CZ 3.74Å; W548-F753 WeakPolarHBondContact CZ2-O 3.22Å; W548-F753 AromaticContact CZ3-CD1 3.78Å; W548-F753 HydrophobicContact CZ3-CD1 3.78Å; W548-F753 AromaticContact CZ3-CE1 3.65Å; W548-F753 HydrophobicContact CZ3-CE1 3.65Å; W548-F753 HydrophobicContact CZ3-CG 4.44Å; W548-F753 HydrophobicContact CZ3-CZ 4.23Å; W548-I755 HydrophobicContact CZ2-CD1 3.92Å; W548-L876 PolarHBondContact NE1-O 2.85Å |
| 549 | V | 92 | Very high | 87.5 | Confident | 28 Ų | 28 | 57.7 Ų | 57.7 | 17% | 0.17 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -71.7 | -25.1 | 174.4 | -178.9 | 0 | 0 | 0 | 0 | 110.7 | F515 M517 L542 D543 S546 V547 | F515-V549 HydrophobicContact CB-CG1 3.89Å; F515-V549 HydrophobicContact CD2-CG1 4.41Å; F515-V549 HydrophobicContact CD2-CG2 3.82Å; F515-V549 HydrophobicContact CE2-CG2 4.46Å; F515-V549 HydrophobicContact CG-CG1 4.47Å; M517-V549 HydrophobicContact CG-CG1 4.35Å; M517-V549 HydrophobicContact SD-CB 4.43Å; M517-V549 HydrophobicContact SD-CG2 4Å; L542-V549 HydrophobicContact CB-CG2 4.39Å; L542-V549 HydrophobicContact CD1-CG2 4.24Å; D543-V549 WeakPolarHBondContact O-CG2 3.46Å; S546-V549 PolarHBondContact O-N 3.01Å; S546-V549 VanDerWaalsContact O-N 3.12Å; V547-V549 VanDerWaalsContact C-N 3.31Å; V547-V549 PolarHBondContact O-N 3.07Å |
| 550 | Q | 89.4 | Confident | 87.3 | Confident | 75 Ų | 75 | 59 Ų | 59 | 35% | 0.35 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -100.8 | 14.8 | -176.1 | -45.2 | 171.9 | 20.1 | 0 | 0 | 114 | D545 V547 K728 | D545-Q550 PolarHBondContact O-NE2 3.37Å; V547-Q550 CarbonylContact O-C 3.53Å; V547-Q550 WeakPolarHBondContact O-CA 3.33Å; V547-Q550 WeakPolarHBondContact O-CB 3.27Å; V547-Q550 PolarHBondContact O-N 3.31Å; Q550-K728 WeakPolarHBondContact O-CE 3.46Å; Q550-K728 PolarHBondContact O-NZ 3.08Å; Q550-K728 VanDerWaalsContact O-NZ 3.13Å |
| 551 | L | 91.1 | Very high | 87.4 | Confident | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | trans | -100.9 | 136.2 | 179.5 | -59.3 | -172 | 0 | 0 | 0 | 111.5 | V547 W548 K728 E732 L735 | V547-L551 HydrophobicContact CG2-CD2 4.14Å; V547-L551 WeakPolarHBondContact O-CG 3.31Å; V547-L551 PolarHBondContact O-N 3.02Å; W548-L551 HydrophobicContact CE3-CD1 3.59Å; W548-L551 HydrophobicContact CZ3-CD1 3.99Å; L551-K728 HydrophobicContact CD2-CD 4.47Å; L551-K728 HydrophobicContact CD2-CG 3.88Å; L551-E732 HydrophobicContact CB-CG 4.26Å; L551-E732 HydrophobicContact CD1-CB 4.46Å; L551-E732 HydrophobicContact CD2-CB 3.98Å; L551-E732 HydrophobicContact CD2-CG 4.15Å; L551-L735 HydrophobicContact CD1-CD2 4.04Å | ||
| 552 | H | 87.6 | Confident | 87.5 | Confident | 100 Ų | 100 | 49.9 Ų | 49.9 | 46% | 0.463 | 26% | 0.262 | S | S | . | . | trans | -124.2 | 62.7 | 177.1 | -58.8 | -40.8 | 0 | 0 | 0 | 109 | D554 E555 E732 | H552-D554 PolarHBondContact O-N 3.3Å; H552-E555 HydrophobicContact CB-CB 4.48Å; H552-E555 HydrophobicContact CB-CG 4.07Å; H552-E555 WeakPolarHBondContact O-CB 3.19Å; H552-E555 PolarHBondContact O-N 3.17Å; H552-E732 PolarHBondContact N-OE1 3Å | ||
| 553 | E | 86 | Confident | 87.4 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 1% | 0.014 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -66.7 | -21 | -168 | 80.2 | -70.3 | 164.6 | 0 | 0 | 114.1 | K520 E555 L556 E732 L735 L736 | K520-E553 WeakPolarHBondContact CD-OE1 3.42Å; K520-E553 VanDerWaalsContact NZ-CD 3.34Å; K520-E553 IonicContact NZ-OE1 3.29Å; K520-E553 PolarHBondContact NZ-OE1 3.05Å; K520-E553 IonicContact NZ-OE2 2.62Å; K520-E553 PolarHBondContact NZ-OE2 3.05Å; E553-E555 VanDerWaalsContact C-N 3.32Å; E553-L556 WeakPolarHBondContact O-CB 3.28Å; E553-L556 PolarHBondContact O-N 3.47Å; E553-L556 VanDerWaalsContact O-N 3.17Å; E553-E732 HydrophobicContact CB-CG 4.1Å; E553-E732 WeakPolarHBondContact CB-O 3.42Å; E553-L735 HydrophobicContact CG-CD2 4.25Å; E553-L735 HydrophobicContact CG-CG 4.22Å; E553-L736 HydrophobicContact CB-CB 4Å; E553-L736 HydrophobicContact CG-CB 4.12Å |
| 554 | D | 82.3 | Confident | 87.4 | Confident | 82 Ų | 82 | 56.1 Ų | 56.1 | 44% | 0.439 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -69.5 | -27.3 | 172.8 | 57.3 | -44.2 | 0 | 0 | 0 | 112.8 | H552 L556 E557 | H552-D554 PolarHBondContact O-N 3.3Å; D554-L556 PolarHBondContact O-N 3.09Å; D554-E557 PolarHBondContact O-N 2.91Å |
| 555 | E | 84.3 | Confident | 87.5 | Confident | 142 Ų | 142 | 49.6 Ų | 49.6 | 66% | 0.664 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -71.8 | -14.8 | 171 | -57.2 | -173 | 171.2 | 0 | 0 | 112.6 | H552 E553 E557 | H552-E555 HydrophobicContact CB-CB 4.48Å; H552-E555 HydrophobicContact CB-CG 4.07Å; H552-E555 WeakPolarHBondContact O-CB 3.19Å; H552-E555 PolarHBondContact O-N 3.17Å; E553-E555 VanDerWaalsContact C-N 3.32Å; E555-E557 VanDerWaalsContact C-N 3.33Å |
| 556 | L | 84.1 | Confident | 87.5 | Confident | 8 Ų | 8 | 45.3 Ų | 45.3 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -83.8 | -1.2 | 172.3 | -59.1 | -163.9 | 0 | 0 | 0 | 113.8 | E553 D554 Y558 E732 L733 L736 F785 | E553-L556 WeakPolarHBondContact O-CB 3.28Å; E553-L556 PolarHBondContact O-N 3.47Å; E553-L556 VanDerWaalsContact O-N 3.17Å; D554-L556 PolarHBondContact O-N 3.09Å; L556-Y558 VanDerWaalsContact O-CD1 3.24Å; L556-Y558 WeakPolarHBondContact O-CD1 3.47Å; L556-E732 HydrophobicContact CD1-CB 3.82Å; L556-E732 HydrophobicContact CD1-CG 3.51Å; L556-E732 HydrophobicContact CG-CG 4Å; L556-L733 HydrophobicContact CB-CD1 4.41Å; L556-L733 HydrophobicContact CD1-CB 3.95Å; L556-L733 HydrophobicContact CD1-CD1 4.35Å; L556-L736 HydrophobicContact CB-CD2 4.01Å; L556-F785 HydrophobicContact CD2-CE2 3.84Å; L556-F785 HydrophobicContact CD2-CZ 3.71Å |
| 557 | E | 83 | Confident | 87.2 | Confident | 54 Ų | 54 | 48.4 Ų | 48.4 | 25% | 0.252 | 27% | 0.266 | S | S | . | . | trans | -68.5 | 132 | 168.8 | -70.8 | 177.6 | -116.9 | 0 | 0 | 110.9 | K521 Y523 D554 E555 L562 L736 | K521-E557 WeakPolarHBondContact CD-OE1 3.43Å; K521-E557 WeakPolarHBondContact CE-OE1 3.21Å; K521-E557 IonicContact NZ-OE1 3.58Å; K521-E557 PolarHBondContact NZ-OE1 3.36Å; K521-E557 IonicContact NZ-OE2 2.83Å; K521-E557 PolarHBondContact NZ-OE2 3.21Å; Y523-E557 PolarHBondContact OH-OE1 3.23Å; D554-E557 PolarHBondContact O-N 2.91Å; E555-E557 VanDerWaalsContact C-N 3.33Å; E557-L562 HydrophobicContact CG-CD1 4.07Å; E557-L736 HydrophobicContact CG-CD1 3.77Å; E557-L736 HydrophobicContact CG-CD2 3.88Å; E557-L736 HydrophobicContact CG-CG 4.47Å | ||
| 558 | Y | 81.1 | Confident | 86.9 | Confident | 50 Ų | 50 | 51.4 Ų | 51.4 | 20% | 0.196 | 28% | 0.28 | C | S | . | . | trans | -154.2 | 148.1 | 175.2 | 65.3 | -86.5 | 0 | 0 | 0 | 113.1 | L556 D560 L561 S780 K784 | L556-Y558 VanDerWaalsContact O-CD1 3.24Å; L556-Y558 WeakPolarHBondContact O-CD1 3.47Å; Y558-D560 PolarHBondContact O-N 2.95Å; Y558-L561 HydrophobicContact CD1-CB 4.4Å; Y558-L561 HydrophobicContact CD1-CD2 4.04Å; Y558-L561 HydrophobicContact CE1-CB 4.31Å; Y558-L561 HydrophobicContact CE1-CD1 4.25Å; Y558-L561 HydrophobicContact CE1-CD2 3.79Å; Y558-L561 HydrophobicContact CE1-CG 4.34Å; Y558-L561 WeakPolarHBondContact O-CB 3.41Å; Y558-L561 PolarHBondContact O-N 2.6Å; Y558-S780 PolarHBondContact OH-O 2.72Å; Y558-K784 HydrophobicContact CD1-CD 3.21Å; Y558-K784 HydrophobicContact CD1-CG 4.46Å; Y558-K784 HydrophobicContact CD2-CD 4.12Å; Y558-K784 HydrophobicContact CE1-CB 4.05Å; Y558-K784 HydrophobicContact CE1-CD 3.49Å; Y558-K784 VanDerWaalsContact CE1-CD 3.49Å; Y558-K784 HydrophobicContact CE1-CG 4.39Å; Y558-K784 HydrophobicContact CE2-CB 4.3Å; Y558-K784 HydrophobicContact CE2-CD 4.36Å; Y558-K784 HydrophobicContact CG-CD 3.56Å | ||
| 559 | G | 75.6 | Confident | 86.6 | Confident | 73 Ų | 73 | 51.4 Ų | 51.4 | 75% | 0.753 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.3 | -123.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 560 | D | 83 | Confident | 86.3 | Confident | 82 Ų | 82 | 51.2 Ų | 51.2 | 44% | 0.439 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 17.8 | 178.8 | -60.7 | -56.6 | 0 | 0 | 0 | 113.6 | Y558 L562 K563 N564 | Y558-D560 PolarHBondContact O-N 2.95Å; D560-L562 PolarHBondContact O-N 2.98Å; D560-K563 HydrophobicContact CB-CB 4.35Å; D560-K563 HydrophobicContact CB-CD 4.41Å; D560-K563 PolarHBondContact O-N 2.95Å; D560-K563 VanDerWaalsContact O-N 3.08Å; D560-K563 WeakPolarHBondContact OD1-CD 3.29Å; D560-K563 WeakPolarHBondContact OD1-CE 3.34Å; D560-K563 IonicContact OD1-NZ 2.71Å; D560-K563 PolarHBondContact OD1-NZ 3Å; D560-N564 WeakPolarHBondContact O-CB 3.41Å; D560-N564 VanDerWaalsContact O-CG 3.27Å; D560-N564 PolarHBondContact O-N 3.4Å; D560-N564 PolarHBondContact O-ND2 2.78Å |
| 561 | L | 90 | Very high | 85.8 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -48.2 | -56.3 | -177.1 | 175.8 | 68.1 | 0 | 0 | 0 | 112.6 | Y558 K563 N564 L565 L733 L736 L737 F776 S780 | Y558-L561 HydrophobicContact CD1-CB 4.4Å; Y558-L561 HydrophobicContact CD1-CD2 4.04Å; Y558-L561 HydrophobicContact CE1-CB 4.31Å; Y558-L561 HydrophobicContact CE1-CD1 4.25Å; Y558-L561 HydrophobicContact CE1-CD2 3.79Å; Y558-L561 HydrophobicContact CE1-CG 4.34Å; Y558-L561 WeakPolarHBondContact O-CB 3.41Å; Y558-L561 PolarHBondContact O-N 2.6Å; L561-K563 VanDerWaalsContact C-N 3.32Å; L561-K563 PolarHBondContact O-N 3.49Å; L561-N564 PolarHBondContact O-N 3.17Å; L561-L565 WeakPolarHBondContact O-CB 3.49Å; L561-L565 PolarHBondContact O-N 3.35Å; L561-L733 HydrophobicContact CD2-CD1 4.12Å; L561-L736 HydrophobicContact CD2-CD2 3.96Å; L561-L737 HydrophobicContact CD1-CD2 4.39Å; L561-L737 HydrophobicContact CD2-CD2 4.45Å; L561-L737 HydrophobicContact CG-CD2 4.42Å; L561-F776 HydrophobicContact CD1-CE1 3.98Å; L561-F776 HydrophobicContact CD1-CZ 4.05Å; L561-S780 WeakPolarHBondContact CD1-OG 3.42Å |
| 562 | L | 89.6 | Confident | 84.2 | Confident | 24 Ų | 24 | 59.4 Ų | 59.4 | 13% | 0.126 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.9 | -27.1 | -177.1 | -59.6 | -178 | 0 | 0 | 0 | 112.7 | Y523 E557 D560 L565 S566 Y740 | Y523-L562 HydrophobicContact CE1-CD1 4.17Å; E557-L562 HydrophobicContact CG-CD1 4.07Å; D560-L562 PolarHBondContact O-N 2.98Å; L562-L565 HydrophobicContact CD2-CD2 4.48Å; L562-S566 WeakPolarHBondContact O-CB 3.44Å; L562-S566 PolarHBondContact O-N 3.36Å; L562-S566 PolarHBondContact O-OG 3.08Å; L562-Y740 HydrophobicContact CB-CD1 4.47Å; L562-Y740 HydrophobicContact CB-CD2 4.46Å; L562-Y740 HydrophobicContact CB-CE1 4.08Å; L562-Y740 HydrophobicContact CB-CE2 4.11Å; L562-Y740 HydrophobicContact CD1-CD2 3.8Å; L562-Y740 HydrophobicContact CD1-CE2 3.92Å; L562-Y740 HydrophobicContact CD1-CG 4.38Å; L562-Y740 HydrophobicContact CD2-CD1 4.06Å; L562-Y740 HydrophobicContact CD2-CD2 4.13Å; L562-Y740 HydrophobicContact CD2-CG 3.85Å; L562-Y740 HydrophobicContact CG-CD2 4.35Å; L562-Y740 HydrophobicContact CG-CE2 4.44Å |
| 563 | K | 87.7 | Confident | 82 | Confident | 133 Ų | 133 | 60.6 Ų | 60.6 | 58% | 0.578 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -73.5 | -40.2 | 174.1 | -57.1 | -176.7 | -161 | 154.7 | 0 | 111.8 | D560 L561 S566 A567 | D560-K563 HydrophobicContact CB-CB 4.35Å; D560-K563 HydrophobicContact CB-CD 4.41Å; D560-K563 PolarHBondContact O-N 2.95Å; D560-K563 VanDerWaalsContact O-N 3.08Å; D560-K563 WeakPolarHBondContact OD1-CD 3.29Å; D560-K563 WeakPolarHBondContact OD1-CE 3.34Å; D560-K563 IonicContact OD1-NZ 2.71Å; D560-K563 PolarHBondContact OD1-NZ 3Å; L561-K563 VanDerWaalsContact C-N 3.32Å; L561-K563 PolarHBondContact O-N 3.49Å; K563-S566 PolarHBondContact O-N 2.82Å; K563-S566 PolarHBondContact O-OG 3.4Å; K563-S566 VanDerWaalsContact O-OG 3.06Å; K563-A567 WeakPolarHBondContact O-CB 3.4Å; K563-A567 PolarHBondContact O-N 3.13Å |
| 564 | N | 89.1 | Confident | 79.6 | Confident | 69 Ų | 69 | 63.1 Ų | 63.1 | 37% | 0.369 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.1 | -39.9 | 175.9 | -70 | -29.1 | 0 | 0 | 0 | 110.7 | D560 L561 Q568 F776 | D560-N564 WeakPolarHBondContact O-CB 3.41Å; D560-N564 VanDerWaalsContact O-CG 3.27Å; D560-N564 PolarHBondContact O-N 3.4Å; D560-N564 PolarHBondContact O-ND2 2.78Å; L561-N564 PolarHBondContact O-N 3.17Å; N564-Q568 WeakPolarHBondContact O-CB 3.21Å; N564-Q568 WeakPolarHBondContact O-CG 3.37Å; N564-Q568 PolarHBondContact O-N 3.46Å; N564-F776 HydrophobicContact CB-CE2 4.04Å; N564-F776 HydrophobicContact CB-CZ 4.26Å |
| 565 | L | 90.9 | Very high | 77.2 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.9 | -48.5 | 171.6 | -179.4 | 70.9 | 0 | 0 | 0 | 111.3 | L561 L562 Q568 F569 L737 Y740 M741 L773 F776 | L561-L565 WeakPolarHBondContact O-CB 3.49Å; L561-L565 PolarHBondContact O-N 3.35Å; L562-L565 HydrophobicContact CD2-CD2 4.48Å; L565-Q568 PolarHBondContact O-N 2.94Å; L565-F569 HydrophobicContact CD1-CD2 3.8Å; L565-F569 HydrophobicContact CD1-CE2 4.34Å; L565-F569 HydrophobicContact CD1-CG 4.4Å; L565-F569 WeakPolarHBondContact O-CB 3.42Å; L565-F569 PolarHBondContact O-N 3.42Å; L565-L737 HydrophobicContact CD1-CD2 4.41Å; L565-L737 HydrophobicContact CD2-CB 4.42Å; L565-L737 HydrophobicContact CD2-CD2 3.81Å; L565-Y740 HydrophobicContact CD2-CD1 3.61Å; L565-Y740 HydrophobicContact CD2-CE1 4.27Å; L565-M741 HydrophobicContact CD1-SD 4.13Å; L565-M741 HydrophobicContact CD2-CG 4.03Å; L565-L773 HydrophobicContact CD1-CD1 3.88Å; L565-F776 HydrophobicContact CB-CE1 3.82Å; L565-F776 HydrophobicContact CB-CE2 4.4Å; L565-F776 HydrophobicContact CB-CZ 3.65Å; L565-F776 HydrophobicContact CD1-CD1 3.74Å; L565-F776 HydrophobicContact CD1-CE1 3.66Å; L565-F776 HydrophobicContact CD1-CG 4.39Å; L565-F776 HydrophobicContact CD1-CZ 4.22Å; L565-F776 HydrophobicContact CG-CE1 4.28Å |
| 566 | S | 87.7 | Confident | 74.4 | Confident | 23 Ų | 23 | 67.7 Ų | 67.7 | 16% | 0.161 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -68.6 | -35.8 | -178.4 | 70.7 | 0 | 0 | 0 | 0 | 113.2 | M529 L562 K563 S570 | M529-S566 VanDerWaalsContact SD-CA 3.58Å; L562-S566 WeakPolarHBondContact O-CB 3.44Å; L562-S566 PolarHBondContact O-N 3.36Å; L562-S566 PolarHBondContact O-OG 3.08Å; K563-S566 PolarHBondContact O-N 2.82Å; K563-S566 PolarHBondContact O-OG 3.4Å; K563-S566 VanDerWaalsContact O-OG 3.06Å; S566-S570 WeakPolarHBondContact O-CB 3.33Å; S566-S570 PolarHBondContact O-N 3.18Å |
| 567 | A | 87.1 | Confident | 71.8 | Confident | 65 Ų | 65 | 75.6 Ų | 75.6 | 54% | 0.537 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | K563 | K563-A567 WeakPolarHBondContact O-CB 3.4Å; K563-A567 PolarHBondContact O-N 3.13Å |
| 568 | Q | 87.6 | Confident | 69.2 | Low | 63 Ų | 63 | 78.9 Ų | 78.9 | 29% | 0.294 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -81.2 | -26.9 | -176.3 | -69.8 | -174.4 | 17.5 | 0 | 0 | 114.5 | N564 L565 D766 V767 | N564-Q568 WeakPolarHBondContact O-CB 3.21Å; N564-Q568 WeakPolarHBondContact O-CG 3.37Å; N564-Q568 PolarHBondContact O-N 3.46Å; L565-Q568 PolarHBondContact O-N 2.94Å; Q568-D766 HydrophobicContact CB-CB 4.45Å; Q568-D766 CarbonylContact O-C 3.33Å; Q568-D766 VanDerWaalsContact O-CA 3.29Å; Q568-D766 WeakPolarHBondContact O-CA 3.24Å; Q568-D766 WeakPolarHBondContact O-CB 3.16Å; Q568-V767 WeakPolarHBondContact O-CG1 3.32Å; Q568-V767 PolarHBondContact O-N 3.46Å |
| 569 | F | 89.6 | Confident | 66.5 | Low | 0 Ų | 0 | 81.2 Ų | 81.2 | 0% | 0 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -119.9 | 20 | -172.5 | -64.6 | -92.2 | 0 | 0 | 0 | 114.7 | K530 L565 M741 T764 D766 L773 F776 | K530-F569 PolarHBondContact N-O 3.2Å; L565-F569 HydrophobicContact CD1-CD2 3.8Å; L565-F569 HydrophobicContact CD1-CE2 4.34Å; L565-F569 HydrophobicContact CD1-CG 4.4Å; L565-F569 WeakPolarHBondContact O-CB 3.42Å; L565-F569 PolarHBondContact O-N 3.42Å; F569-M741 HydrophobicContact CB-CE 4.35Å; F569-T764 HydrophobicContact CD1-CG2 4.13Å; F569-T764 HydrophobicContact CE1-CG2 4.39Å; F569-D766 HydrophobicContact CD1-CB 4.46Å; F569-D766 HydrophobicContact CE1-CB 3.99Å; F569-D766 HydrophobicContact CE2-CB 4.37Å; F569-D766 HydrophobicContact CZ-CB 3.93Å; F569-L773 HydrophobicContact CE1-CB 4.07Å; F569-L773 HydrophobicContact CE1-CD1 4.49Å; F569-L773 HydrophobicContact CZ-CB 4.35Å; F569-L773 HydrophobicContact CZ-CD1 4.39Å; F569-F776 HydrophobicContact CE2-CB 3.65Å; F569-F776 AromaticContact CE2-CD2 3.97Å; F569-F776 HydrophobicContact CE2-CD2 3.97Å; F569-F776 AromaticContact CE2-CG 3.81Å; F569-F776 HydrophobicContact CE2-CG 3.81Å; F569-F776 HydrophobicContact CZ-CB 3.88Å |
| 570 | S | 84.9 | Confident | 64.3 | Low | 24 Ų | 24 | 85 Ų | 85 | 17% | 0.168 | 47% | 0.471 | C | S | . | . | B | Isolated β-bridge | trans | -62.4 | 161.5 | 167.1 | 74.2 | 0 | 0 | 0 | 0 | 112.4 | P528 S566 V767 | P528-S570 CarbonylContact O-C 3.56Å; P528-S570 WeakPolarHBondContact O-CA 3.44Å; S566-S570 WeakPolarHBondContact O-CB 3.33Å; S566-S570 PolarHBondContact O-N 3.18Å; S570-V767 WeakPolarHBondContact O-CG1 3.44Å |
| 571 | T | 80 | Confident | 61.4 | Low | 77 Ų | 77 | 85 Ų | 85 | 47% | 0.472 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -92 | 10.2 | -175 | 64.4 | 0 | 0 | 0 | 0 | 115.3 | P528 M529 K530 | P528-T571 PolarHBondContact O-N 2.98Å; M529-T571 VanDerWaalsContact C-CG2 3.42Å; K530-T571 HydrophobicContact CG-CG2 4.15Å |
| 572 | K | 57.2 | Low | 58.3 | Low | 173 Ų | 173 | 91.3 Ų | 91.3 | 75% | 0.752 | 52% | 0.516 | S | S | * | . | trans | -84 | 138.8 | 174.6 | -72.8 | -175.8 | 178.2 | 177.7 | 0 | 110.2 | ||||
| 573 | P | 40.4 | Very low | 55.1 | Low | 125 Ų | 125 | 94 Ų | 94 | 81% | 0.812 | 54% | 0.537 | S | S | * | . | trans | -107.4 | 139.8 | -152.3 | 25.3 | -8.9 | 0 | 0 | 0 | 114.9 | ||||
| 574 | A | 36.7 | Very low | 52 | Low | 57 Ų | 57 | 95.1 Ų | 95.1 | 47% | 0.471 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -99.2 | 155.7 | 153.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | V767 | A574-V767 VanDerWaalsContact CB-O 3.26Å; A574-V767 WeakPolarHBondContact CB-O 3.46Å |
| 575 | K | 32.1 | Very low | 48.9 | Very low | 208 Ų | 208 | 95.2 Ų | 95.2 | 90% | 0.904 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 156.5 | -167.6 | -75.7 | 179.7 | 175.9 | 177.8 | 0 | 114.2 | ||
| 576 | V | 25.1 | Very low | 45.7 | Very low | 112 Ų | 112 | 100 Ų | 100 | 68% | 0.679 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 153.1 | -163.6 | -175.8 | 0 | 0 | 0 | 0 | 112 | ||
| 577 | M | 30 | Very low | 42.6 | Very low | 173 Ų | 173 | 104 Ų | 104 | 85% | 0.852 | 64% | 0.64 | S | S | * | * | trans | 147.4 | 151.6 | 133.6 | -83.3 | -178.7 | 158.2 | 0 | 0 | 112.7 | ||||
| 578 | V | 27.7 | Very low | 39.7 | Very low | 123 Ų | 123 | 106.1 Ų | 106.1 | 75% | 0.745 | 66% | 0.657 | S | S | * | * | cis | -158.4 | 157.1 | -30.8 | 124.2 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 579 | S | 25.7 | Very low | 36.7 | Very low | 100 Ų | 100 | 108.2 Ų | 108.2 | 70% | 0.699 | 69% | 0.686 | S | S | * | * | trans | -121.6 | 147.6 | -175.5 | 53.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 580 | D | 27.5 | Very low | 33.6 | Very low | 152 Ų | 152 | 111 Ų | 111 | 81% | 0.813 | 72% | 0.715 | S | S | * | * | trans | -163.5 | 170.3 | 156.3 | -92.4 | -42.7 | 0 | 0 | 0 | 110.2 | ||||
| 581 | S | 23.5 | Very low | 30.6 | Very low | 83 Ų | 83 | 117 Ų | 117 | 58% | 0.58 | 75% | 0.745 | S | S | * | * | cis | 174.3 | 162.2 | -39.8 | -87.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 582 | T | 23.3 | Very low | 27.9 | Very low | 133 Ų | 133 | 119.2 Ų | 119.2 | 82% | 0.816 | 75% | 0.753 | S | S | * | * | trans | 64.3 | 146.3 | 165.1 | 62 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 583 | S | 23.3 | Very low | 26.1 | Very low | 81 Ų | 81 | 119.3 Ų | 119.3 | 57% | 0.566 | 76% | 0.756 | S | S | * | * | cis | 142.7 | 155.2 | -22.2 | 64.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 584 | D | 23.3 | Very low | 25.3 | Very low | 157 Ų | 157 | 116.8 Ų | 116.8 | 84% | 0.84 | 75% | 0.753 | S | S | * | * | trans | 69.6 | 150.1 | 164.3 | -44.9 | -54.5 | 0 | 0 | 0 | 117.8 | ||||
| 585 | G | 23.4 | Very low | 24.8 | Very low | 70 Ų | 70 | 121.2 Ų | 121.2 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | cis | 169.8 | 161.9 | -8.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 586 | A | 23.3 | Very low | 24.4 | Very low | 102 Ų | 102 | 119.7 Ų | 119.7 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | trans | 66.9 | 121.2 | 146.6 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 587 | A | 23.4 | Very low | 24.5 | Very low | 106 Ų | 106 | 119.8 Ų | 119.8 | 88% | 0.876 | 77% | 0.768 | S | S | * | * | trans | 19.7 | 139.2 | 132 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 588 | A | 25.9 | Very low | 24.5 | Very low | 109 Ų | 109 | 122.9 Ų | 122.9 | 90% | 0.901 | 77% | 0.771 | S | S | * | * | trans | -139.6 | 140.1 | 157.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 589 | A | 24.2 | Very low | 24.7 | Very low | 107 Ų | 107 | 127.5 Ų | 127.5 | 88% | 0.884 | 78% | 0.781 | S | S | * | * | trans | -107.4 | 164.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 590 | G | 24.5 | Very low | 25.5 | Very low | 60 Ų | 60 | 127.8 Ų | 127.8 | 62% | 0.619 | 78% | 0.779 | S | S | * | * | trans | -153.5 | 134.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 591 | N | 21.3 | Very low | 26.6 | Very low | 149 Ų | 149 | 125.9 Ų | 125.9 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | 81.4 | 139.5 | 79 | -79.2 | -14 | 0 | 0 | 0 | 112.2 | |||||
| 592 | L | 23.6 | Very low | 28.4 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 64% | 0.644 | 78% | 0.776 | S | S | * | * | cis | -163.9 | 161.9 | 4.1 | -102 | 158 | 0 | 0 | 0 | 111 | ||||
| 593 | Q | 21 | Very low | 30.8 | Very low | 176 Ų | 176 | 127 Ų | 127 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | trans | 54.2 | 137.6 | 141 | -74 | 165.8 | -6.6 | 0 | 0 | 125.5 | ||||
| 594 | G | 23.4 | Very low | 33.3 | Very low | 71 Ų | 71 | 128.2 Ų | 128.2 | 73% | 0.732 | 74% | 0.74 | S | S | * | * | trans | 104 | 156.3 | 134.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 595 | I | 25.1 | Very low | 36.1 | Very low | 150 Ų | 150 | 126.2 Ų | 126.2 | 77% | 0.769 | 72% | 0.722 | S | S | * | * | cis | -164.2 | 151.5 | -8.8 | -126.3 | 167.4 | 0 | 0 | 0 | 110.4 | ||||
| 596 | Q | 24.6 | Very low | 39 | Very low | 177 Ų | 177 | 123.4 Ų | 123.4 | 83% | 0.827 | 69% | 0.69 | S | S | * | * | trans | 63.9 | 134.9 | 158.9 | -72.1 | 171.7 | 26.1 | 0 | 0 | 123.9 | ||||
| 597 | S | 26.6 | Very low | 41.9 | Very low | 113 Ų | 113 | 122.9 Ų | 122.9 | 79% | 0.79 | 67% | 0.673 | S | S | * | * | trans | -73.8 | 150.3 | 176 | 53.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 598 | R | 30.4 | Very low | 44.8 | Very low | 238 Ų | 238 | 123.8 Ų | 123.8 | 90% | 0.898 | 66% | 0.663 | S | S | * | * | trans | -123.2 | 155.8 | 151.5 | -86.1 | -175.5 | 178.5 | 166.9 | 1.8 | 110.9 | T600 | R598-T600 PolarHBondContact O-N 2.83Š| ||
| 599 | K | 31.4 | Very low | 47.7 | Very low | 220 Ų | 220 | 126 Ų | 126 | 96% | 0.957 | 65% | 0.653 | S | S | * | * | trans | -76 | 112.3 | -175.6 | -64.8 | 175.1 | 178 | 177.5 | 0 | 110.8 | ||||
| 600 | T | 42.8 | Very low | 50.7 | Low | 107 Ų | 107 | 122.3 Ų | 122.3 | 66% | 0.656 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 157.2 | -178.9 | -7.5 | 0 | 0 | 0 | 0 | 112.5 | R598 | R598-T600 PolarHBondContact O-N 2.83Š|
| 601 | K | 51.1 | Low | 53.7 | Low | 111 Ų | 111 | 119.7 Ų | 119.7 | 48% | 0.483 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -59.4 | 144.4 | 166.3 | -63.5 | 173.5 | -175 | 168.4 | 0 | 109.3 | L603 E669 L671 | K601-L603 PolarHBondContact O-N 3.41Å; K601-E669 PolarHBondContact NZ-O 3.25Å; K601-L671 WeakPolarHBondContact CD-O 3.45Å |
| 602 | K | 61.3 | Low | 56.9 | Low | 196 Ų | 196 | 118.6 Ų | 118.6 | 85% | 0.852 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 119.1 | -177.1 | -173.9 | -179.8 | 179.7 | -177.6 | 0 | 110.5 | ||
| 603 | L | 72.4 | Confident | 60 | Low | 45 Ų | 45 | 116.1 Ų | 116.1 | 24% | 0.236 | 57% | 0.569 | C | S | . | * | P | Polyproline II helix | trans | -55.9 | 143.5 | 173.8 | -63.9 | 167.8 | 0 | 0 | 0 | 110.7 | K601 L606 A611 A672 P674 E675 | K601-L603 PolarHBondContact O-N 3.41Å; L603-L606 HydrophobicContact CD2-CB 4.49Å; L603-A611 HydrophobicContact CD1-CB 3.43Å; L603-A611 VanDerWaalsContact CD1-CB 3.43Å; L603-A611 HydrophobicContact CD2-CB 3.72Å; L603-A611 HydrophobicContact CG-CB 4.25Å; L603-A672 HydrophobicContact CD2-CB 3.65Å; L603-P674 HydrophobicContact CD2-CG 4.28Å; L603-E675 HydrophobicContact CD2-CG 4.26Å |
| 604 | R | 77.4 | Confident | 63.3 | Low | 106 Ų | 106 | 107.7 Ų | 107.7 | 40% | 0.4 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -107.8 | -41.9 | -178.6 | -68.8 | 177.4 | 170.1 | -173.3 | -7.9 | 112.6 | E667 E675 | R604-E667 IonicContact CZ-OE2 2.74Å; R604-E667 IonicContact NH1-OE1 2.67Å; R604-E667 IonicContact NH1-OE2 2.65Å; R604-E667 PolarHBondContact NH1-OE2 3.37Å; R604-E667 IonicContact NH2-OE2 2.64Å; R604-E667 PolarHBondContact NH2-OE2 2.76Å; R604-E675 PolarHBondContact N-OE1 3.01Å |
| 605 | Y | 81.1 | Confident | 66.4 | Low | 114 Ų | 114 | 106.2 Ų | 106.2 | 45% | 0.447 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -135.7 | -20 | -172 | -68 | -83 | 0 | 0 | 0 | 115.5 | K660 L664 E675 | Y605-K660 HydrophobicContact CD1-CB 4.21Å; Y605-K660 HydrophobicContact CD1-CD 4.12Å; Y605-K660 HydrophobicContact CE1-CB 4.49Å; Y605-K660 HydrophobicContact CE1-CD 4.4Å; Y605-L664 HydrophobicContact CD2-CD1 3.51Å; Y605-L664 HydrophobicContact CE2-CD1 3.47Å; Y605-L664 VanDerWaalsContact CE2-CD1 3.47Å; Y605-L664 HydrophobicContact CE2-CD2 4.11Å; Y605-L664 HydrophobicContact CE2-CG 4.27Å; Y605-E675 PolarHBondContact N-OE1 3.39Å |
| 606 | L | 84.2 | Confident | 69.4 | Low | 11 Ų | 11 | 104.3 Ų | 104.3 | 6% | 0.058 | 50% | 0.498 | C | S | . | . | S | Bend | trans | -79.8 | 138.9 | 167.3 | -62.8 | 179.1 | 0 | 0 | 0 | 109.8 | L603 V610 A611 L614 P653 V657 I661 P674 E675 | L603-L606 HydrophobicContact CD2-CB 4.49Å; L606-V610 HydrophobicContact CD2-CG1 4.15Å; L606-A611 HydrophobicContact CB-CB 3.98Å; L606-A611 HydrophobicContact CD1-CB 4.24Å; L606-L614 HydrophobicContact CD1-CD1 4.09Å; L606-P653 HydrophobicContact CD2-CB 3.89Å; L606-P653 HydrophobicContact CD2-CG 3.75Å; L606-V657 HydrophobicContact CD2-CG1 3.99Å; L606-I661 HydrophobicContact CD2-CD1 3.55Å; L606-I661 HydrophobicContact CG-CD1 3.76Å; L606-P674 HydrophobicContact CD1-CB 3.89Å; L606-P674 HydrophobicContact CD1-CG 4.16Å; L606-E675 HydrophobicContact CB-CG 4.43Å; L606-E675 HydrophobicContact CD1-CG 3.67Å; L606-E675 HydrophobicContact CG-CG 3.83Å |
| 607 | D | 85.1 | Confident | 72.4 | Confident | 91 Ų | 91 | 96.2 Ų | 96.2 | 49% | 0.487 | 46% | 0.461 | S | S | . | . | trans | -71.2 | 158.5 | 163.7 | 67.7 | 76.1 | 0 | 0 | 0 | 110.9 | K609 V610 A611 | D607-K609 PolarHBondContact O-N 3.15Å; D607-K609 WeakPolarHBondContact OD1-CA 3.39Å; D607-K609 VanDerWaalsContact OD1-CB 3.31Å; D607-K609 WeakPolarHBondContact OD1-CB 3.34Å; D607-K609 PolarHBondContact OD1-N 3.43Å; D607-V610 PolarHBondContact O-N 3.48Å; D607-V610 PolarHBondContact OD1-N 3.01Å; D607-V610 VanDerWaalsContact OD2-CG2 3.3Å; D607-V610 WeakPolarHBondContact OD2-CG2 3.26Å; D607-A611 VanDerWaalsContact O-CB 3.28Å; D607-A611 WeakPolarHBondContact O-CB 3.25Å; D607-A611 PolarHBondContact O-N 2.99Å | ||
| 608 | D | 83.2 | Confident | 75.3 | Confident | 126 Ų | 126 | 91.2 Ų | 91.2 | 67% | 0.674 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -58.2 | -32 | -175.5 | -62.3 | -44.7 | 0 | 0 | 0 | 112.8 | Q612 | D608-Q612 WeakPolarHBondContact O-CB 3.27Å; D608-Q612 PolarHBondContact O-N 3.16Å |
| 609 | K | 87 | Confident | 77.9 | Confident | 156 Ų | 156 | 81.9 Ų | 81.9 | 68% | 0.678 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -75.1 | -46.8 | -177.1 | -174.7 | -177.1 | -179.8 | -177.2 | 0 | 111.1 | D607 Q612 N613 | D607-K609 PolarHBondContact O-N 3.15Å; D607-K609 WeakPolarHBondContact OD1-CA 3.39Å; D607-K609 VanDerWaalsContact OD1-CB 3.31Å; D607-K609 WeakPolarHBondContact OD1-CB 3.34Å; D607-K609 PolarHBondContact OD1-N 3.43Å; K609-Q612 PolarHBondContact O-N 3.33Å; K609-N613 WeakPolarHBondContact O-CB 3.49Å; K609-N613 PolarHBondContact O-N 2.95Å; K609-N613 PolarHBondContact O-ND2 3.32Å; K609-N613 PolarHBondContact O-OD1 3.29Å |
| 610 | V | 87 | Confident | 80.5 | Confident | 28 Ų | 28 | 75 Ų | 75 | 17% | 0.17 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -67.3 | -43.4 | 176.5 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | L606 D607 Q612 N613 L614 A651 P653 | L606-V610 HydrophobicContact CD2-CG1 4.15Å; D607-V610 PolarHBondContact O-N 3.48Å; D607-V610 PolarHBondContact OD1-N 3.01Å; D607-V610 VanDerWaalsContact OD2-CG2 3.3Å; D607-V610 WeakPolarHBondContact OD2-CG2 3.26Å; V610-Q612 VanDerWaalsContact C-N 3.34Å; V610-Q612 PolarHBondContact O-N 3.01Å; V610-N613 PolarHBondContact O-N 3.11Å; V610-L614 HydrophobicContact CG1-CD1 4.16Å; V610-L614 WeakPolarHBondContact O-CB 3.17Å; V610-L614 WeakPolarHBondContact O-CG 3.24Å; V610-L614 PolarHBondContact O-N 3.29Å; V610-A651 WeakPolarHBondContact CG1-O 3.46Å; V610-P653 HydrophobicContact CG1-CB 3.96Å |
| 611 | A | 87.8 | Confident | 82.5 | Confident | 6 Ų | 6 | 71.7 Ų | 71.7 | 5% | 0.05 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.2 | -45.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L603 L606 D607 L614 S615 P674 | L603-A611 HydrophobicContact CD1-CB 3.43Å; L603-A611 VanDerWaalsContact CD1-CB 3.43Å; L603-A611 HydrophobicContact CD2-CB 3.72Å; L603-A611 HydrophobicContact CG-CB 4.25Å; L606-A611 HydrophobicContact CB-CB 3.98Å; L606-A611 HydrophobicContact CD1-CB 4.24Å; D607-A611 VanDerWaalsContact O-CB 3.28Å; D607-A611 WeakPolarHBondContact O-CB 3.25Å; D607-A611 PolarHBondContact O-N 2.99Å; A611-L614 PolarHBondContact O-N 2.64Å; A611-S615 PolarHBondContact O-N 3.06Å; A611-S615 PolarHBondContact O-OG 3.42Å; A611-P674 HydrophobicContact CB-CG 3.92Å |
| 612 | Q | 87.8 | Confident | 84.1 | Confident | 126 Ų | 126 | 74.9 Ų | 74.9 | 59% | 0.589 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -69.1 | -40.3 | 178.7 | -175.9 | 144.9 | 10.3 | 0 | 0 | 112.8 | D608 K609 V610 L614 S615 I616 | D608-Q612 WeakPolarHBondContact O-CB 3.27Å; D608-Q612 PolarHBondContact O-N 3.16Å; K609-Q612 PolarHBondContact O-N 3.33Å; V610-Q612 VanDerWaalsContact C-N 3.34Å; V610-Q612 PolarHBondContact O-N 3.01Å; Q612-L614 VanDerWaalsContact C-N 3.32Å; Q612-L614 PolarHBondContact O-N 3.45Å; Q612-S615 PolarHBondContact O-N 3.45Å; Q612-I616 HydrophobicContact CG-CD1 3.82Å; Q612-I616 HydrophobicContact CG-CG1 4.34Å; Q612-I616 WeakPolarHBondContact O-CB 3.29Å; Q612-I616 VanDerWaalsContact O-CG1 3.27Å; Q612-I616 WeakPolarHBondContact O-CG1 3.4Å; Q612-I616 PolarHBondContact O-N 3.42Å |
| 613 | N | 89.3 | Confident | 85.2 | Confident | 70 Ų | 70 | 66.5 Ų | 66.5 | 37% | 0.374 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.6 | -44.5 | 173.9 | -74.7 | -10.6 | 0 | 0 | 0 | 111.5 | K609 V610 L617 A651 | K609-N613 WeakPolarHBondContact O-CB 3.49Å; K609-N613 PolarHBondContact O-N 2.95Å; K609-N613 PolarHBondContact O-ND2 3.32Å; K609-N613 PolarHBondContact O-OD1 3.29Å; V610-N613 PolarHBondContact O-N 3.11Å; N613-L617 WeakPolarHBondContact O-CB 3.49Å; N613-L617 PolarHBondContact O-N 2.95Å; N613-A651 HydrophobicContact CB-CB 4.37Å |
| 614 | L | 90.3 | Very high | 86 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.4 | -45.6 | 174.5 | -75.7 | 172 | 0 | 0 | 0 | 112.1 | L606 V610 A611 Q612 I616 L617 L618 A651 L652 P674 F677 V678 | L606-L614 HydrophobicContact CD1-CD1 4.09Å; V610-L614 HydrophobicContact CG1-CD1 4.16Å; V610-L614 WeakPolarHBondContact O-CB 3.17Å; V610-L614 WeakPolarHBondContact O-CG 3.24Å; V610-L614 PolarHBondContact O-N 3.29Å; A611-L614 PolarHBondContact O-N 2.64Å; Q612-L614 VanDerWaalsContact C-N 3.32Å; Q612-L614 PolarHBondContact O-N 3.45Å; L614-I616 VanDerWaalsContact C-N 3.35Å; L614-I616 PolarHBondContact O-N 2.84Å; L614-L617 PolarHBondContact O-N 3.14Å; L614-L618 HydrophobicContact CB-CD1 4.42Å; L614-L618 WeakPolarHBondContact O-CB 3.44Å; L614-L618 WeakPolarHBondContact O-CG 3.38Å; L614-L618 PolarHBondContact O-N 2.81Å; L614-A651 HydrophobicContact CD2-CB 3.86Å; L614-A651 HydrophobicContact CG-CB 4.35Å; L614-A651 WeakPolarHBondContact CG-O 3.22Å; L614-L652 HydrophobicContact CD2-CD2 4.36Å; L614-P674 HydrophobicContact CB-CB 3.71Å; L614-P674 HydrophobicContact CD1-CB 4.16Å; L614-F677 HydrophobicContact CD2-CD1 4.11Å; L614-F677 HydrophobicContact CD2-CE1 4.06Å; L614-V678 HydrophobicContact CD1-CG2 3.66Å |
| 615 | S | 88.7 | Confident | 86.6 | Confident | 40 Ų | 40 | 65.5 Ų | 65.5 | 28% | 0.28 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.8 | -39.4 | 177.7 | -75.1 | 0 | 0 | 0 | 0 | 113 | A611 Q612 G619 | A611-S615 PolarHBondContact O-N 3.06Å; A611-S615 PolarHBondContact O-OG 3.42Å; Q612-S615 PolarHBondContact O-N 3.45Å; S615-G619 PolarHBondContact O-N 3.31Å |
| 616 | I | 88.1 | Confident | 86.9 | Confident | 109 Ų | 109 | 64.4 Ų | 64.4 | 56% | 0.559 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.3 | -46.2 | 175 | -69.4 | 164.9 | 0 | 0 | 0 | 110.4 | Q612 L614 S620 | Q612-I616 HydrophobicContact CG-CD1 3.82Å; Q612-I616 HydrophobicContact CG-CG1 4.34Å; Q612-I616 WeakPolarHBondContact O-CB 3.29Å; Q612-I616 VanDerWaalsContact O-CG1 3.27Å; Q612-I616 WeakPolarHBondContact O-CG1 3.4Å; Q612-I616 PolarHBondContact O-N 3.42Å; L614-I616 VanDerWaalsContact C-N 3.35Å; L614-I616 PolarHBondContact O-N 2.84Å; I616-S620 PolarHBondContact O-N 3.11Å |
| 617 | L | 87.1 | Confident | 87 | Confident | 8 Ų | 8 | 66.3 Ų | 66.3 | 4% | 0.042 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.4 | -54.7 | 178.7 | 179.4 | 56.9 | 0 | 0 | 0 | 111.7 | N613 L614 G619 S620 L621 Q647 L648 A651 | N613-L617 WeakPolarHBondContact O-CB 3.49Å; N613-L617 PolarHBondContact O-N 2.95Å; L614-L617 PolarHBondContact O-N 3.14Å; L617-G619 VanDerWaalsContact C-N 3.26Å; L617-G619 PolarHBondContact O-N 2.84Å; L617-S620 PolarHBondContact O-N 3.23Å; L617-S620 PolarHBondContact O-OG 2.84Å; L617-L621 HydrophobicContact CD1-CD1 3.83Å; L617-L621 HydrophobicContact CD1-CD2 4.11Å; L617-L621 HydrophobicContact CD1-CG 3.83Å; L617-L621 HydrophobicContact CG-CD1 3.86Å; L617-L621 HydrophobicContact CG-CG 4.24Å; L617-L621 VanDerWaalsContact O-CG 3.31Å; L617-L621 WeakPolarHBondContact O-CG 3.41Å; L617-L621 PolarHBondContact O-N 2.66Å; L617-Q647 HydrophobicContact CD1-CB 3.66Å; L617-Q647 HydrophobicContact CD1-CG 4.48Å; L617-Q647 VanDerWaalsContact CD1-OE1 3.24Å; L617-Q647 HydrophobicContact CD2-CB 4.02Å; L617-L648 HydrophobicContact CD2-CB 4.45Å; L617-L648 HydrophobicContact CD2-CD2 3.75Å; L617-L648 HydrophobicContact CD2-CG 3.99Å; L617-A651 HydrophobicContact CD2-CB 3.79Å |
| 618 | L | 87.5 | Confident | 87.3 | Confident | 8 Ų | 8 | 62 Ų | 62 | 4% | 0.042 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.6 | -38.3 | -178.4 | -65.4 | 166.9 | 0 | 0 | 0 | 111.9 | L614 S620 L621 K622 Y625 F677 | L614-L618 HydrophobicContact CB-CD1 4.42Å; L614-L618 WeakPolarHBondContact O-CB 3.44Å; L614-L618 WeakPolarHBondContact O-CG 3.38Å; L614-L618 PolarHBondContact O-N 2.81Å; L618-S620 VanDerWaalsContact C-N 3.31Å; L618-S620 PolarHBondContact O-N 3.18Å; L618-L621 PolarHBondContact O-N 3.06Å; L618-K622 PolarHBondContact O-N 3.45Å; L618-Y625 HydrophobicContact CB-CE1 4.48Å; L618-Y625 HydrophobicContact CD1-CE1 4.29Å; L618-Y625 HydrophobicContact CD2-CD1 4.3Å; L618-Y625 HydrophobicContact CD2-CE1 4.02Å; L618-Y625 HydrophobicContact CG-CE1 4.49Å; L618-F677 HydrophobicContact CD1-CB 3.51Å; L618-F677 HydrophobicContact CD1-CD1 3.81Å; L618-F677 HydrophobicContact CD1-CG 3.68Å; L618-F677 HydrophobicContact CD2-CB 4.26Å; L618-F677 HydrophobicContact CD2-CD1 3.87Å; L618-F677 HydrophobicContact CD2-CD2 3.71Å; L618-F677 HydrophobicContact CD2-CE1 4.12Å; L618-F677 HydrophobicContact CD2-CE2 4Å; L618-F677 HydrophobicContact CD2-CG 3.65Å; L618-F677 HydrophobicContact CD2-CZ 4.18Å; L618-F677 HydrophobicContact CG-CD1 4.31Å; L618-F677 HydrophobicContact CG-CG 4.28Å |
| 619 | G | 85.4 | Confident | 87.7 | Confident | 42 Ų | 42 | 57.6 Ų | 57.6 | 43% | 0.433 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.8 | -27.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | S615 L617 K622 | S615-G619 PolarHBondContact O-N 3.31Å; L617-G619 VanDerWaalsContact C-N 3.26Å; L617-G619 PolarHBondContact O-N 2.84Å; G619-K622 WeakPolarHBondContact O-CE 3.45Å; G619-K622 WeakPolarHBondContact O-CG 3.32Å |
| 620 | S | 86 | Confident | 87.8 | Confident | 74 Ų | 74 | 54.3 Ų | 54.3 | 52% | 0.517 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -82 | -38 | 173.2 | 78.6 | 0 | 0 | 0 | 0 | 112.3 | I616 L617 L618 | I616-S620 PolarHBondContact O-N 3.11Å; L617-S620 PolarHBondContact O-N 3.23Å; L617-S620 PolarHBondContact O-OG 2.84Å; L618-S620 VanDerWaalsContact C-N 3.31Å; L618-S620 PolarHBondContact O-N 3.18Å |
| 621 | L | 84.7 | Confident | 87.9 | Confident | 39 Ų | 39 | 54.9 Ų | 54.9 | 20% | 0.204 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -71.9 | -39.7 | -179.1 | -62.6 | -178.2 | 0 | 0 | 0 | 113.3 | L617 L618 V623 L628 M644 L648 | L617-L621 HydrophobicContact CD1-CD1 3.83Å; L617-L621 HydrophobicContact CD1-CD2 4.11Å; L617-L621 HydrophobicContact CD1-CG 3.83Å; L617-L621 HydrophobicContact CG-CD1 3.86Å; L617-L621 HydrophobicContact CG-CG 4.24Å; L617-L621 VanDerWaalsContact O-CG 3.31Å; L617-L621 WeakPolarHBondContact O-CG 3.41Å; L617-L621 PolarHBondContact O-N 2.66Å; L618-L621 PolarHBondContact O-N 3.06Å; L621-V623 HydrophobicContact CB-CG2 4.36Å; L621-V623 WeakPolarHBondContact O-CG2 3.47Å; L621-V623 PolarHBondContact O-N 3.1Å; L621-V623 VanDerWaalsContact O-N 3.09Å; L621-L628 HydrophobicContact CD1-CD2 4.35Å; L621-M644 HydrophobicContact CD1-CG 3.77Å; L621-M644 HydrophobicContact CD1-SD 3.51Å; L621-M644 VanDerWaalsContact CD1-SD 3.51Å; L621-M644 HydrophobicContact CD2-CB 4.13Å; L621-M644 HydrophobicContact CD2-CG 3.62Å; L621-M644 HydrophobicContact CD2-SD 3.4Å; L621-M644 WeakPolarHBondContact CD2-SD 3.23Å; L621-M644 HydrophobicContact CG-CG 4.32Å; L621-M644 HydrophobicContact CG-SD 3.95Å; L621-L648 HydrophobicContact CD1-CD2 4.39Å |
| 622 | K | 84.4 | Confident | 88 | Confident | 178 Ų | 178 | 54.7 Ų | 54.7 | 77% | 0.774 | 29% | 0.286 | S | S | * | . | trans | 53.8 | 26.4 | -180 | -56.6 | -177.5 | -178.5 | 174.3 | 0 | 115.1 | L618 G619 | L618-K622 PolarHBondContact O-N 3.45Å; G619-K622 WeakPolarHBondContact O-CE 3.45Å; G619-K622 WeakPolarHBondContact O-CG 3.32Å | ||
| 623 | V | 84.6 | Confident | 88.1 | Confident | 19 Ų | 19 | 48.7 Ų | 48.7 | 12% | 0.115 | 26% | 0.259 | C | S | . | . | trans | -91.8 | 133.1 | 175.8 | -171.4 | 0 | 0 | 0 | 0 | 109.7 | L621 Y625 E627 L628 L639 | L621-V623 HydrophobicContact CB-CG2 4.36Å; L621-V623 WeakPolarHBondContact O-CG2 3.47Å; L621-V623 PolarHBondContact O-N 3.1Å; L621-V623 VanDerWaalsContact O-N 3.09Å; V623-Y625 PolarHBondContact O-N 2.79Å; V623-E627 HydrophobicContact CG1-CB 4.12Å; V623-E627 HydrophobicContact CG1-CG 3.87Å; V623-L628 HydrophobicContact CB-CB 4.38Å; V623-L628 HydrophobicContact CG1-CB 3.98Å; V623-L639 HydrophobicContact CG1-CD2 4.26Å; V623-L639 HydrophobicContact CG2-CD2 3.86Å | ||
| 624 | P | 88.6 | Confident | 88.1 | Confident | 90 Ų | 90 | 46.4 Ų | 46.4 | 58% | 0.584 | 25% | 0.247 | S | C | * | . | trans | -55.5 | 137.6 | 171.3 | -24.1 | 33.8 | 0 | 0 | 0 | 111.4 | D626 E627 L628 | P624-D626 VanDerWaalsContact C-N 3.33Å; P624-D626 PolarHBondContact O-N 3.45Å; P624-E627 HydrophobicContact CB-CB 4.1Å; P624-E627 HydrophobicContact CG-CB 4.46Å; P624-E627 WeakPolarHBondContact O-CA 3.5Å; P624-E627 WeakPolarHBondContact O-CB 3.43Å; P624-E627 PolarHBondContact O-N 2.81Å; P624-L628 PolarHBondContact O-N 2.89Å | ||
| 625 | Y | 90.2 | Very high | 88 | Confident | 41 Ų | 41 | 46.9 Ų | 46.9 | 16% | 0.161 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.2 | -36.6 | -170.1 | -53.2 | -24.1 | 0 | 0 | 0 | 113.3 | L618 V623 E627 L628 R629 E673 Q676 F677 | L618-Y625 HydrophobicContact CB-CE1 4.48Å; L618-Y625 HydrophobicContact CD1-CE1 4.29Å; L618-Y625 HydrophobicContact CD2-CD1 4.3Å; L618-Y625 HydrophobicContact CD2-CE1 4.02Å; L618-Y625 HydrophobicContact CG-CE1 4.49Å; V623-Y625 PolarHBondContact O-N 2.79Å; Y625-E627 VanDerWaalsContact C-N 3.28Å; Y625-E627 PolarHBondContact O-N 3.24Å; Y625-L628 PolarHBondContact O-N 3.32Å; Y625-R629 VanDerWaalsContact O-CB 3.26Å; Y625-R629 WeakPolarHBondContact O-CB 3.22Å; Y625-R629 PolarHBondContact O-N 2.98Å; Y625-E673 WeakPolarHBondContact OH-CG 3.19Å; Y625-E673 PolarHBondContact OH-OE1 3.35Å; Y625-Q676 HydrophobicContact CE2-CB 4.35Å; Y625-F677 HydrophobicContact CD1-CB 4.3Å; Y625-F677 AromaticContact CD1-CD2 3.89Å; Y625-F677 HydrophobicContact CD1-CD2 3.89Å; Y625-F677 HydrophobicContact CD1-CG 4.49Å; Y625-F677 HydrophobicContact CD2-CB 4.06Å; Y625-F677 HydrophobicContact CE1-CB 4.36Å; Y625-F677 HydrophobicContact CE2-CB 4.11Å; Y625-F677 HydrophobicContact CG-CB 4.18Å; Y625-F677 AromaticContact CG-CD2 3.97Å; Y625-F677 HydrophobicContact CG-CD2 3.97Å |
| 626 | D | 87.2 | Confident | 87.9 | Confident | 90 Ų | 90 | 46.7 Ų | 46.7 | 48% | 0.481 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.5 | -34 | 173.1 | -67.5 | -71.4 | 0 | 0 | 0 | 112.3 | P624 R630 K680 | P624-D626 VanDerWaalsContact C-N 3.33Å; P624-D626 PolarHBondContact O-N 3.45Å; D626-R630 VanDerWaalsContact O-CB 3.27Å; D626-R630 WeakPolarHBondContact O-CB 3.13Å; D626-R630 PolarHBondContact O-N 3.25Å; D626-K680 WeakPolarHBondContact OD1-CD 3.41Å; D626-K680 IonicContact OD1-NZ 3.82Å; D626-K680 PolarHBondContact OD1-NZ 2.92Å; D626-K680 WeakPolarHBondContact OD2-CE 3.32Å; D626-K680 IonicContact OD2-NZ 2.71Å; D626-K680 PolarHBondContact OD2-NZ 3.38Å |
| 627 | E | 88 | Confident | 87.9 | Confident | 51 Ų | 51 | 45.2 Ų | 45.2 | 24% | 0.238 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -73.9 | -42.9 | 176.9 | 175 | 64.3 | 179.4 | 0 | 0 | 111.3 | V623 P624 Y625 R630 R631 | V623-E627 HydrophobicContact CG1-CB 4.12Å; V623-E627 HydrophobicContact CG1-CG 3.87Å; P624-E627 HydrophobicContact CB-CB 4.1Å; P624-E627 HydrophobicContact CG-CB 4.46Å; P624-E627 WeakPolarHBondContact O-CA 3.5Å; P624-E627 WeakPolarHBondContact O-CB 3.43Å; P624-E627 PolarHBondContact O-N 2.81Å; Y625-E627 VanDerWaalsContact C-N 3.28Å; Y625-E627 PolarHBondContact O-N 3.24Å; E627-R630 PolarHBondContact O-N 3.39Å; E627-R630 IonicContact OE1-CZ 2.72Å; E627-R630 IonicContact OE1-NH2 3.18Å; E627-R630 PolarHBondContact OE1-NH2 3.26Å; E627-R630 IonicContact OE2-CZ 3.51Å; E627-R630 VanDerWaalsContact OE2-CZ 3.29Å; E627-R630 IonicContact OE2-NE 3.08Å; E627-R630 PolarHBondContact OE2-NE 2.63Å; E627-R630 IonicContact OE2-NH2 3.82Å; E627-R630 PolarHBondContact OE2-NH2 3.47Å; E627-R631 WeakPolarHBondContact O-CG 3.35Å; E627-R631 PolarHBondContact O-N 3.27Å; E627-R631 IonicContact OE1-CZ 2.68Å; E627-R631 IonicContact OE1-NE 2.89Å; E627-R631 PolarHBondContact OE1-NE 3.02Å; E627-R631 IonicContact OE1-NH2 3.94Å; E627-R631 PolarHBondContact OE1-NH2 3.04Å |
| 628 | L | 89.8 | Confident | 87.7 | Confident | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.6 | -43 | 174.4 | -177.1 | 54.3 | 0 | 0 | 0 | 111.3 | L621 V623 P624 Y625 R631 I632 L640 M644 L648 F677 | L621-L628 HydrophobicContact CD1-CD2 4.35Å; V623-L628 HydrophobicContact CB-CB 4.38Å; V623-L628 HydrophobicContact CG1-CB 3.98Å; P624-L628 PolarHBondContact O-N 2.89Å; Y625-L628 PolarHBondContact O-N 3.32Å; L628-R631 PolarHBondContact O-N 3.11Å; L628-I632 HydrophobicContact CD1-CD1 4.23Å; L628-I632 HydrophobicContact CD1-CG1 4.48Å; L628-I632 HydrophobicContact CG-CD1 4.13Å; L628-I632 WeakPolarHBondContact O-CD1 3.38Å; L628-I632 VanDerWaalsContact O-CG1 3.3Å; L628-I632 WeakPolarHBondContact O-CG1 3.46Å; L628-I632 PolarHBondContact O-N 3.34Å; L628-L640 HydrophobicContact CD1-CD2 4.11Å; L628-M644 HydrophobicContact CD1-SD 4.36Å; L628-L648 HydrophobicContact CD1-CD1 4.37Å; L628-L648 HydrophobicContact CD2-CD1 4.44Å; L628-L648 HydrophobicContact CD2-CD2 4.35Å; L628-F677 HydrophobicContact CD2-CE2 3.72Å; L628-F677 HydrophobicContact CD2-CZ 4.06Å; L628-F677 HydrophobicContact CG-CE2 4.36Å |
| 629 | R | 91.1 | Very high | 87.3 | Confident | 33 Ų | 33 | 52.5 Ų | 52.5 | 13% | 0.125 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55.5 | -51.9 | 170.9 | 179.6 | -154.4 | 177 | -93.2 | 6.9 | 111 | Y625 R631 I632 L633 K680 V681 D683 I684 E835 | Y625-R629 VanDerWaalsContact O-CB 3.26Å; Y625-R629 WeakPolarHBondContact O-CB 3.22Å; Y625-R629 PolarHBondContact O-N 2.98Å; R629-R631 VanDerWaalsContact C-N 3.32Å; R629-R631 PolarHBondContact O-N 2.96Å; R629-I632 PolarHBondContact O-N 3.24Å; R629-L633 PolarHBondContact O-N 3.12Å; R629-K680 VanDerWaalsContact CD-O 3.31Å; R629-K680 WeakPolarHBondContact CD-O 3.45Å; R629-V681 HydrophobicContact CB-CG1 4.34Å; R629-D683 IonicContact CZ-OD1 2.86Å; R629-D683 IonicContact CZ-OD2 2.63Å; R629-D683 VanDerWaalsContact CZ-OD2 3.23Å; R629-D683 IonicContact NE-OD1 3.66Å; R629-D683 PolarHBondContact NE-OD1 3.14Å; R629-D683 VanDerWaalsContact NE-OD1 3.12Å; R629-D683 IonicContact NE-OD2 3.56Å; R629-D683 PolarHBondContact NE-OD2 3.35Å; R629-D683 IonicContact NH2-OD1 3.19Å; R629-D683 IonicContact NH2-OD2 3.63Å; R629-D683 PolarHBondContact NH2-OD2 3.27Å; R629-I684 HydrophobicContact CG-CD1 3.88Å; R629-I684 HydrophobicContact CG-CG1 4.22Å; R629-E835 IonicContact CZ-OE1 3.5Å; R629-E835 IonicContact CZ-OE2 3.93Å; R629-E835 IonicContact NH1-OE1 3.17Å; R629-E835 PolarHBondContact NH1-OE1 2.96Å; R629-E835 IonicContact NH1-OE2 3.12Å; R629-E835 PolarHBondContact NH1-OE2 3.29Å; R629-E835 IonicContact NH2-OE1 3.58Å; R629-E835 PolarHBondContact NH2-OE1 3.35Å; R629-E835 IonicContact NH2-OE2 2.56Å |
| 630 | R | 90.1 | Very high | 87.4 | Confident | 86 Ų | 86 | 50.6 Ų | 50.6 | 33% | 0.325 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -56.4 | -44.7 | 179 | -172.1 | -169.2 | 67 | 72.1 | 1.3 | 111.2 | D626 E627 L633 T634 | D626-R630 VanDerWaalsContact O-CB 3.27Å; D626-R630 WeakPolarHBondContact O-CB 3.13Å; D626-R630 PolarHBondContact O-N 3.25Å; E627-R630 PolarHBondContact O-N 3.39Å; E627-R630 IonicContact OE1-CZ 2.72Å; E627-R630 IonicContact OE1-NH2 3.18Å; E627-R630 PolarHBondContact OE1-NH2 3.26Å; E627-R630 IonicContact OE2-CZ 3.51Å; E627-R630 VanDerWaalsContact OE2-CZ 3.29Å; E627-R630 IonicContact OE2-NE 3.08Å; E627-R630 PolarHBondContact OE2-NE 2.63Å; E627-R630 IonicContact OE2-NH2 3.82Å; E627-R630 PolarHBondContact OE2-NH2 3.47Å; R630-L633 WeakPolarHBondContact O-CB 3.34Å; R630-L633 PolarHBondContact O-N 3.36Å; R630-L633 VanDerWaalsContact O-N 3.16Å; R630-T634 HydrophobicContact CG-CG2 4.36Å; R630-T634 WeakPolarHBondContact O-CG2 3.43Å; R630-T634 PolarHBondContact O-N 3.45Å; R630-T634 PolarHBondContact O-OG1 3.41Å; R630-T634 VanDerWaalsContact O-OG1 3.13Å |
| 631 | R | 88.8 | Confident | 87.5 | Confident | 41 Ų | 41 | 50.3 Ų | 50.3 | 16% | 0.155 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.5 | -37 | -179.8 | -70.6 | -172.7 | -171.5 | -122.2 | 8.6 | 113.9 | E627 L628 R629 L633 T634 V635 D636 S638 L640 | E627-R631 WeakPolarHBondContact O-CG 3.35Å; E627-R631 PolarHBondContact O-N 3.27Å; E627-R631 IonicContact OE1-CZ 2.68Å; E627-R631 IonicContact OE1-NE 2.89Å; E627-R631 PolarHBondContact OE1-NE 3.02Å; E627-R631 IonicContact OE1-NH2 3.94Å; E627-R631 PolarHBondContact OE1-NH2 3.04Å; L628-R631 PolarHBondContact O-N 3.11Å; R629-R631 VanDerWaalsContact C-N 3.32Å; R629-R631 PolarHBondContact O-N 2.96Å; R631-L633 VanDerWaalsContact C-N 3.26Å; R631-L633 PolarHBondContact O-N 3.22Å; R631-T634 PolarHBondContact O-N 2.95Å; R631-V635 WeakPolarHBondContact O-CA 3.39Å; R631-V635 PolarHBondContact O-N 3.35Å; R631-D636 HydrophobicContact CB-CB 3.97Å; R631-D636 WeakPolarHBondContact CD-OD2 3.23Å; R631-D636 HydrophobicContact CG-CB 3.85Å; R631-D636 WeakPolarHBondContact CG-OD2 3.27Å; R631-D636 IonicContact CZ-OD2 3.93Å; R631-D636 IonicContact NE-OD2 3.75Å; R631-D636 PolarHBondContact NE-OD2 3.31Å; R631-D636 IonicContact NH1-OD1 3.19Å; R631-D636 IonicContact NH1-OD2 3.65Å; R631-D636 PolarHBondContact NH1-OD2 2.86Å; R631-D636 PolarHBondContact O-N 3.18Å; R631-D636 VanDerWaalsContact O-N 3.09Å; R631-S638 PolarHBondContact NH1-OG 3.18Å; R631-L640 HydrophobicContact CB-CD2 4.45Å; R631-L640 HydrophobicContact CB-CG 4.39Å |
| 632 | I | 91.2 | Very high | 87.7 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.5 | -33.5 | 171.7 | -64.5 | 160.8 | 0 | 0 | 0 | 110.8 | L628 R629 L640 I684 L687 R690 L691 | L628-I632 HydrophobicContact CD1-CD1 4.23Å; L628-I632 HydrophobicContact CD1-CG1 4.48Å; L628-I632 HydrophobicContact CG-CD1 4.13Å; L628-I632 WeakPolarHBondContact O-CD1 3.38Å; L628-I632 VanDerWaalsContact O-CG1 3.3Å; L628-I632 WeakPolarHBondContact O-CG1 3.46Å; L628-I632 PolarHBondContact O-N 3.34Å; R629-I632 PolarHBondContact O-N 3.24Å; I632-L640 HydrophobicContact CG1-CD2 4.47Å; I632-I684 HydrophobicContact CB-CD1 4.06Å; I632-I684 HydrophobicContact CG2-CD1 3.84Å; I632-L687 HydrophobicContact CG2-CD1 4.09Å; I632-R690 HydrophobicContact CG2-CG 4.19Å; I632-R690 PolarHBondContact O-NH1 3.01Å; I632-L691 HydrophobicContact CD1-CD2 3.97Å; I632-L691 HydrophobicContact CG1-CD2 3.93Å; I632-L691 HydrophobicContact CG2-CD2 4.01Å |
| 633 | L | 88.8 | Confident | 87.9 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -74.2 | -40.4 | 177 | -167 | 121.8 | 0 | 0 | 0 | 112.5 | R629 R630 R631 R690 E835 N837 D838 N839 | R629-L633 PolarHBondContact O-N 3.12Å; R630-L633 WeakPolarHBondContact O-CB 3.34Å; R630-L633 PolarHBondContact O-N 3.36Å; R630-L633 VanDerWaalsContact O-N 3.16Å; R631-L633 VanDerWaalsContact C-N 3.26Å; R631-L633 PolarHBondContact O-N 3.22Å; L633-R690 PolarHBondContact O-NH1 3.24Å; L633-E835 HydrophobicContact CD1-CG 4.26Å; L633-E835 HydrophobicContact CD2-CB 4.13Å; L633-E835 WeakPolarHBondContact CD2-OE2 3.47Å; L633-N837 HydrophobicContact CD2-CB 4.46Å; L633-N837 WeakPolarHBondContact CD2-ND2 3.16Å; L633-D838 HydrophobicContact CD1-CB 4.4Å; L633-D838 HydrophobicContact CD2-CB 3.91Å; L633-D838 HydrophobicContact CG-CB 3.98Å; L633-N839 PolarHBondContact O-N 2.88Å |
| 634 | T | 88.6 | Confident | 88.2 | Confident | 21 Ų | 21 | 45.8 Ų | 45.8 | 13% | 0.129 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -87.4 | -8.1 | -179.8 | 60.7 | 0 | 0 | 0 | 0 | 115 | R630 R631 N837 | R630-T634 HydrophobicContact CG-CG2 4.36Å; R630-T634 WeakPolarHBondContact O-CG2 3.43Å; R630-T634 PolarHBondContact O-N 3.45Å; R630-T634 PolarHBondContact O-OG1 3.41Å; R630-T634 VanDerWaalsContact O-OG1 3.13Å; R631-T634 PolarHBondContact O-N 2.95Å; T634-N837 HydrophobicContact CG2-CB 4.36Å; T634-N837 WeakPolarHBondContact CG2-O 3.47Å |
| 635 | V | 89.1 | Confident | 88.3 | Confident | 11 Ų | 11 | 41.5 Ų | 41.5 | 7% | 0.067 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 58.3 | -171.5 | -164.9 | 0 | 0 | 0 | 0 | 112.2 | R631 E637 I694 Y840 V843 | R631-V635 WeakPolarHBondContact O-CA 3.39Å; R631-V635 PolarHBondContact O-N 3.35Å; V635-E637 PolarHBondContact O-N 3.24Å; V635-I694 HydrophobicContact CG1-CD1 4.29Å; V635-I694 HydrophobicContact CG1-CG1 4.03Å; V635-I694 HydrophobicContact CG1-CG2 4.04Å; V635-I694 HydrophobicContact CG2-CD1 4.1Å; V635-I694 HydrophobicContact CG2-CG1 4.31Å; V635-Y840 HydrophobicContact CG2-CD2 3.92Å; V635-Y840 HydrophobicContact CG2-CG 4.41Å; V635-V843 HydrophobicContact CB-CB 4.48Å; V635-V843 HydrophobicContact CB-CG1 4.24Å; V635-V843 HydrophobicContact CG1-CG1 3.9Å |
| 636 | D | 86.5 | Confident | 88.4 | Confident | 36 Ų | 36 | 42.1 Ų | 42.1 | 19% | 0.193 | 22% | 0.22 | C | C | . | . | trans | -90.8 | 92.7 | -176.5 | 177.9 | 8.2 | 0 | 0 | 0 | 113.2 | R631 S638 L640 | R631-D636 HydrophobicContact CB-CB 3.97Å; R631-D636 WeakPolarHBondContact CD-OD2 3.23Å; R631-D636 HydrophobicContact CG-CB 3.85Å; R631-D636 WeakPolarHBondContact CG-OD2 3.27Å; R631-D636 IonicContact CZ-OD2 3.93Å; R631-D636 IonicContact NE-OD2 3.75Å; R631-D636 PolarHBondContact NE-OD2 3.31Å; R631-D636 IonicContact NH1-OD1 3.19Å; R631-D636 IonicContact NH1-OD2 3.65Å; R631-D636 PolarHBondContact NH1-OD2 2.86Å; R631-D636 PolarHBondContact O-N 3.18Å; R631-D636 VanDerWaalsContact O-N 3.09Å; D636-S638 PolarHBondContact O-N 2.69Å; D636-S638 VanDerWaalsContact OD1-CB 3.3Å; D636-S638 WeakPolarHBondContact OD1-CB 3.44Å; D636-S638 PolarHBondContact OD1-N 3.45Å; D636-S638 VanDerWaalsContact OD1-N 3.09Å; D636-S638 PolarHBondContact OD1-OG 3.23Å; D636-S638 PolarHBondContact OD2-OG 2.89Å; D636-L640 WeakPolarHBondContact O-CB 3.48Å; D636-L640 WeakPolarHBondContact O-CG 3.23Å; D636-L640 PolarHBondContact O-N 3.47Å | ||
| 637 | E | 87.2 | Confident | 88.6 | Confident | 77 Ų | 77 | 41.3 Ų | 41.3 | 36% | 0.36 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -3.1 | 179.7 | -72.8 | 162.7 | -127.3 | 0 | 0 | 114.7 | V635 L639 K697 M698 | V635-E637 PolarHBondContact O-N 3.24Å; E637-L639 VanDerWaalsContact C-N 3.28Å; E637-L639 PolarHBondContact O-N 2.82Å; E637-K697 WeakPolarHBondContact OE1-CE 3.45Å; E637-K697 IonicContact OE1-NZ 3.7Å; E637-K697 PolarHBondContact OE1-NZ 2.95Å; E637-K697 IonicContact OE2-NZ 3.7Å; E637-K697 PolarHBondContact OE2-NZ 3.07Å; E637-M698 HydrophobicContact CB-CE 4.39Å; E637-M698 HydrophobicContact CG-CE 4.17Å; E637-M698 HydrophobicContact CG-CG 4.32Å; E637-M698 HydrophobicContact CG-SD 4.32Å |
| 638 | S | 83.4 | Confident | 88.8 | Confident | 99 Ų | 99 | 38.9 Ų | 38.9 | 69% | 0.692 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -22 | 177.4 | 69.2 | 0 | 0 | 0 | 0 | 114 | R631 D636 | R631-S638 PolarHBondContact NH1-OG 3.18Å; D636-S638 PolarHBondContact O-N 2.69Å; D636-S638 VanDerWaalsContact OD1-CB 3.3Å; D636-S638 WeakPolarHBondContact OD1-CB 3.44Å; D636-S638 PolarHBondContact OD1-N 3.45Å; D636-S638 VanDerWaalsContact OD1-N 3.09Å; D636-S638 PolarHBondContact OD1-OG 3.23Å; D636-S638 PolarHBondContact OD2-OG 2.89Å |
| 639 | L | 79.3 | Confident | 88.9 | Confident | 71 Ų | 71 | 40.4 Ų | 40.4 | 37% | 0.372 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -131 | -28.3 | 177.3 | -174 | 68.9 | 0 | 0 | 0 | 112.2 | V623 E637 T641 M644 | V623-L639 HydrophobicContact CG1-CD2 4.26Å; V623-L639 HydrophobicContact CG2-CD2 3.86Å; E637-L639 VanDerWaalsContact C-N 3.28Å; E637-L639 PolarHBondContact O-N 2.82Å; L639-T641 PolarHBondContact O-N 3.21Å; L639-T641 VanDerWaalsContact O-N 3.13Å; L639-M644 WeakPolarHBondContact O-CE 3.42Å |
| 640 | L | 87.3 | Confident | 88.8 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | trans | -64.3 | 113.3 | 170.2 | -64.1 | -179.5 | 0 | 0 | 0 | 109 | L628 R631 I632 D636 M644 L645 I694 M698 | L628-L640 HydrophobicContact CD1-CD2 4.11Å; R631-L640 HydrophobicContact CB-CD2 4.45Å; R631-L640 HydrophobicContact CB-CG 4.39Å; I632-L640 HydrophobicContact CG1-CD2 4.47Å; D636-L640 WeakPolarHBondContact O-CB 3.48Å; D636-L640 WeakPolarHBondContact O-CG 3.23Å; D636-L640 PolarHBondContact O-N 3.47Å; L640-M644 VanDerWaalsContact CA-CE 3.49Å; L640-M644 HydrophobicContact CB-CE 4.44Å; L640-M644 HydrophobicContact CD2-CE 3.66Å; L640-L645 HydrophobicContact CB-CD1 4.41Å; L640-L645 HydrophobicContact CD2-CD2 4.13Å; L640-I694 HydrophobicContact CD1-CG2 4.47Å; L640-M698 WeakPolarHBondContact O-CE 3.4Å | ||
| 641 | T | 89 | Confident | 88.8 | Confident | 68 Ų | 68 | 42.1 Ų | 42.1 | 42% | 0.417 | 22% | 0.224 | S | C | . | . | trans | -106.2 | 155 | 174.2 | 62.6 | 0 | 0 | 0 | 0 | 110.5 | L639 N643 M644 L645 | L639-T641 PolarHBondContact O-N 3.21Å; L639-T641 VanDerWaalsContact O-N 3.13Å; T641-N643 VanDerWaalsContact C-N 3.28Å; T641-N643 PolarHBondContact O-N 3.04Å; T641-M644 PolarHBondContact O-N 3.08Å; T641-M644 VanDerWaalsContact O-N 3.17Å; T641-M644 WeakPolarHBondContact OG1-CB 3.48Å; T641-M644 PolarHBondContact OG1-N 3.4Å; T641-L645 WeakPolarHBondContact O-CG 3.26Å; T641-L645 PolarHBondContact O-N 3.33Å | ||
| 642 | P | 88.5 | Confident | 88.9 | Confident | 38 Ų | 38 | 41 Ų | 41 | 25% | 0.247 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.3 | -41.8 | 177.8 | -23.7 | 33.4 | 0 | 0 | 0 | 112.2 | L645 E646 L695 M698 K699 | P642-L645 PolarHBondContact O-N 2.69Å; P642-E646 WeakPolarHBondContact O-CB 3.12Å; P642-E646 PolarHBondContact O-N 3.45Å; P642-L695 HydrophobicContact CB-CD1 3.96Å; P642-L695 VanDerWaalsContact O-CD1 3.23Å; P642-L695 WeakPolarHBondContact O-CD1 3.16Å; P642-M698 HydrophobicContact CG-CB 4Å; P642-M698 HydrophobicContact CG-CE 4.17Å; P642-M698 HydrophobicContact CG-SD 4.28Å; P642-K699 HydrophobicContact CB-CD 4.46Å; P642-K699 HydrophobicContact CB-CG 4.03Å |
| 643 | N | 89.5 | Confident | 88.8 | Confident | 95 Ų | 95 | 41.5 Ų | 41.5 | 51% | 0.508 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.5 | -43.1 | 177.3 | 179.2 | 64.5 | 0 | 0 | 0 | 112.3 | T641 L645 E646 Q647 | T641-N643 VanDerWaalsContact C-N 3.28Å; T641-N643 PolarHBondContact O-N 3.04Å; N643-L645 PolarHBondContact O-N 2.94Å; N643-E646 PolarHBondContact O-N 2.9Å; N643-Q647 PolarHBondContact ND2-NE2 3.16Å; N643-Q647 WeakPolarHBondContact O-CB 3.48Å; N643-Q647 VanDerWaalsContact O-CG 3.25Å; N643-Q647 WeakPolarHBondContact O-CG 3.36Å; N643-Q647 PolarHBondContact O-N 2.75Å; N643-Q647 PolarHBondContact OD1-NE2 3.43Å |
| 644 | M | 89.1 | Confident | 88.7 | Confident | 8 Ų | 8 | 48.1 Ų | 48.1 | 4% | 0.039 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.7 | -44 | 176.3 | 173.7 | 169.2 | 58.4 | 0 | 0 | 111.6 | L621 L628 L639 L640 T641 Q647 L648 | L621-M644 HydrophobicContact CD1-CG 3.77Å; L621-M644 HydrophobicContact CD1-SD 3.51Å; L621-M644 VanDerWaalsContact CD1-SD 3.51Å; L621-M644 HydrophobicContact CD2-CB 4.13Å; L621-M644 HydrophobicContact CD2-CG 3.62Å; L621-M644 HydrophobicContact CD2-SD 3.4Å; L621-M644 WeakPolarHBondContact CD2-SD 3.23Å; L621-M644 HydrophobicContact CG-CG 4.32Å; L621-M644 HydrophobicContact CG-SD 3.95Å; L628-M644 HydrophobicContact CD1-SD 4.36Å; L639-M644 WeakPolarHBondContact O-CE 3.42Å; L640-M644 VanDerWaalsContact CA-CE 3.49Å; L640-M644 HydrophobicContact CB-CE 4.44Å; L640-M644 HydrophobicContact CD2-CE 3.66Å; T641-M644 PolarHBondContact O-N 3.08Å; T641-M644 VanDerWaalsContact O-N 3.17Å; T641-M644 WeakPolarHBondContact OG1-CB 3.48Å; T641-M644 PolarHBondContact OG1-N 3.4Å; M644-Q647 PolarHBondContact O-N 2.82Å; M644-L648 HydrophobicContact CG-CD1 3.81Å; M644-L648 HydrophobicContact CG-CG 4.28Å; M644-L648 WeakPolarHBondContact O-CB 3.46Å; M644-L648 VanDerWaalsContact O-CG 3.29Å; M644-L648 WeakPolarHBondContact O-CG 3.47Å; M644-L648 PolarHBondContact O-N 2.83Å; M644-L648 HydrophobicContact SD-CD1 4.49Å |
| 645 | L | 92.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.2 | -42 | 178.8 | -69.9 | 171.4 | 0 | 0 | 0 | 111.7 | L640 T641 P642 N643 L648 V649 L691 I694 L695 M698 | L640-L645 HydrophobicContact CB-CD1 4.41Å; L640-L645 HydrophobicContact CD2-CD2 4.13Å; T641-L645 WeakPolarHBondContact O-CG 3.26Å; T641-L645 PolarHBondContact O-N 3.33Å; P642-L645 PolarHBondContact O-N 2.69Å; N643-L645 PolarHBondContact O-N 2.94Å; L645-L648 PolarHBondContact O-N 3.27Å; L645-V649 WeakPolarHBondContact O-CG2 3.27Å; L645-V649 PolarHBondContact O-N 2.68Å; L645-L691 HydrophobicContact CD2-CD2 3.65Å; L645-I694 HydrophobicContact CD1-CB 4.16Å; L645-I694 HydrophobicContact CD1-CG2 3.59Å; L645-L695 HydrophobicContact CB-CB 4.09Å; L645-L695 HydrophobicContact CB-CD1 4.18Å; L645-L695 HydrophobicContact CD1-CB 4.37Å; L645-M698 HydrophobicContact CD1-SD 3.72Å |
| 646 | E | 91.6 | Very high | 88.5 | Confident | 55 Ų | 55 | 54 Ų | 54 | 26% | 0.257 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.5 | -41 | 176.3 | -168.6 | 179.4 | 145.3 | 0 | 0 | 112.1 | P642 N643 K650 L695 K699 | P642-E646 WeakPolarHBondContact O-CB 3.12Å; P642-E646 PolarHBondContact O-N 3.45Å; N643-E646 PolarHBondContact O-N 2.9Å; E646-K650 HydrophobicContact CG-CD 4.23Å; E646-K650 WeakPolarHBondContact O-CB 3.26Å; E646-K650 VanDerWaalsContact O-CG 3.31Å; E646-K650 WeakPolarHBondContact O-CG 3.24Å; E646-K650 PolarHBondContact O-N 2.74Å; E646-K650 IonicContact OE1-NZ 2.82Å; E646-K650 PolarHBondContact OE1-NZ 3.05Å; E646-L695 HydrophobicContact CB-CD1 4.35Å; E646-L695 HydrophobicContact CB-CD2 3.9Å; E646-L695 HydrophobicContact CG-CD2 4.27Å; E646-K699 IonicContact OE2-NZ 3.08Å; E646-K699 PolarHBondContact OE2-NZ 3.07Å |
| 647 | Q | 91.3 | Very high | 88.5 | Confident | 73 Ų | 73 | 53.8 Ų | 53.8 | 34% | 0.341 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.3 | -41 | 173.5 | -71.6 | 178.5 | -8.2 | 0 | 0 | 111.9 | L617 N643 M644 K650 A651 | L617-Q647 HydrophobicContact CD1-CB 3.66Å; L617-Q647 HydrophobicContact CD1-CG 4.48Å; L617-Q647 VanDerWaalsContact CD1-OE1 3.24Å; L617-Q647 HydrophobicContact CD2-CB 4.02Å; N643-Q647 PolarHBondContact ND2-NE2 3.16Å; N643-Q647 WeakPolarHBondContact O-CB 3.48Å; N643-Q647 VanDerWaalsContact O-CG 3.25Å; N643-Q647 WeakPolarHBondContact O-CG 3.36Å; N643-Q647 PolarHBondContact O-N 2.75Å; N643-Q647 PolarHBondContact OD1-NE2 3.43Å; M644-Q647 PolarHBondContact O-N 2.82Å; Q647-K650 PolarHBondContact O-N 2.81Å; Q647-A651 WeakPolarHBondContact O-CB 3.48Å; Q647-A651 PolarHBondContact O-N 3.38Å |
| 648 | L | 92 | Very high | 88.6 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 175.5 | -77.5 | 167.5 | 0 | 0 | 0 | 111.8 | L617 L621 L628 M644 L645 K650 A651 L652 F677 L691 | L617-L648 HydrophobicContact CD2-CB 4.45Å; L617-L648 HydrophobicContact CD2-CD2 3.75Å; L617-L648 HydrophobicContact CD2-CG 3.99Å; L621-L648 HydrophobicContact CD1-CD2 4.39Å; L628-L648 HydrophobicContact CD1-CD1 4.37Å; L628-L648 HydrophobicContact CD2-CD1 4.44Å; L628-L648 HydrophobicContact CD2-CD2 4.35Å; M644-L648 HydrophobicContact CG-CD1 3.81Å; M644-L648 HydrophobicContact CG-CG 4.28Å; M644-L648 WeakPolarHBondContact O-CB 3.46Å; M644-L648 VanDerWaalsContact O-CG 3.29Å; M644-L648 WeakPolarHBondContact O-CG 3.47Å; M644-L648 PolarHBondContact O-N 2.83Å; M644-L648 HydrophobicContact SD-CD1 4.49Å; L645-L648 PolarHBondContact O-N 3.27Å; L648-K650 VanDerWaalsContact C-N 3.32Å; L648-K650 PolarHBondContact O-N 2.73Å; L648-A651 PolarHBondContact O-N 3.03Å; L648-L652 WeakPolarHBondContact O-CB 3.26Å; L648-L652 WeakPolarHBondContact O-CD1 3.19Å; L648-L652 VanDerWaalsContact O-CG 3.26Å; L648-L652 WeakPolarHBondContact O-CG 3.48Å; L648-L652 PolarHBondContact O-N 3.13Å; L648-F677 HydrophobicContact CD2-CE1 4.23Å; L648-F677 HydrophobicContact CD2-CZ 3.92Å; L648-L691 HydrophobicContact CB-CD1 4.46Å |
| 649 | V | 91.2 | Very high | 88.8 | Confident | 33 Ų | 33 | 50.1 Ų | 50.1 | 20% | 0.2 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.8 | -41.3 | 175.8 | 169.7 | 0 | 0 | 0 | 0 | 111.3 | L645 L691 N692 | L645-V649 WeakPolarHBondContact O-CG2 3.27Å; L645-V649 PolarHBondContact O-N 2.68Å; V649-L691 HydrophobicContact CG2-CB 3.6Å; V649-L691 HydrophobicContact CG2-CD1 4.37Å; V649-N692 WeakPolarHBondContact CG1-OD1 3.16Å |
| 650 | K | 90.5 | Very high | 89.2 | Confident | 147 Ų | 147 | 52 Ų | 52 | 64% | 0.639 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -72.9 | -23.5 | 178.2 | -74.3 | 171.9 | 174.6 | 172.2 | 0 | 114.1 | E646 Q647 L648 | E646-K650 HydrophobicContact CG-CD 4.23Å; E646-K650 WeakPolarHBondContact O-CB 3.26Å; E646-K650 VanDerWaalsContact O-CG 3.31Å; E646-K650 WeakPolarHBondContact O-CG 3.24Å; E646-K650 PolarHBondContact O-N 2.74Å; E646-K650 IonicContact OE1-NZ 2.82Å; E646-K650 PolarHBondContact OE1-NZ 3.05Å; Q647-K650 PolarHBondContact O-N 2.81Å; L648-K650 VanDerWaalsContact C-N 3.32Å; L648-K650 PolarHBondContact O-N 2.73Å |
| 651 | A | 89.9 | Confident | 89.2 | Confident | 8 Ų | 8 | 52 Ų | 52 | 7% | 0.066 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -99 | -23 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | V610 N613 L614 L617 Q647 L648 | V610-A651 WeakPolarHBondContact CG1-O 3.46Å; N613-A651 HydrophobicContact CB-CB 4.37Å; L614-A651 HydrophobicContact CD2-CB 3.86Å; L614-A651 HydrophobicContact CG-CB 4.35Å; L614-A651 WeakPolarHBondContact CG-O 3.22Å; L617-A651 HydrophobicContact CD2-CB 3.79Å; Q647-A651 WeakPolarHBondContact O-CB 3.48Å; Q647-A651 PolarHBondContact O-N 3.38Å; L648-A651 PolarHBondContact O-N 3.03Å |
| 652 | L | 91.4 | Very high | 89 | Confident | 18 Ų | 18 | 50.1 Ų | 50.1 | 9% | 0.094 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -69.9 | 143.9 | 179.8 | -78.5 | 165.3 | 0 | 0 | 0 | 112.3 | L614 L648 F677 V678 V681 L687 I688 L691 | L614-L652 HydrophobicContact CD2-CD2 4.36Å; L648-L652 WeakPolarHBondContact O-CB 3.26Å; L648-L652 WeakPolarHBondContact O-CD1 3.19Å; L648-L652 VanDerWaalsContact O-CG 3.26Å; L648-L652 WeakPolarHBondContact O-CG 3.48Å; L648-L652 PolarHBondContact O-N 3.13Å; L652-F677 HydrophobicContact CD2-CE1 3.91Å; L652-V678 HydrophobicContact CD2-CG2 4.35Å; L652-V681 HydrophobicContact CD2-CG2 4.27Å; L652-L687 HydrophobicContact CD1-CD2 3.82Å; L652-L687 HydrophobicContact CD1-CG 4.21Å; L652-L687 HydrophobicContact CD2-CD2 4.3Å; L652-I688 HydrophobicContact CB-CD1 3.64Å; L652-I688 HydrophobicContact CD1-CD1 3.56Å; L652-I688 HydrophobicContact CG-CD1 4.24Å; L652-L691 HydrophobicContact CD1-CD1 3.41Å; L652-L691 VanDerWaalsContact CD1-CD1 3.41Å |
| 653 | P | 88.5 | Confident | 88.9 | Confident | 11 Ų | 11 | 52.5 Ų | 52.5 | 7% | 0.071 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -73 | 167 | 177.1 | 31.3 | -36.8 | 0 | 0 | 0 | 112.4 | L606 V610 V657 I658 V678 | L606-P653 HydrophobicContact CD2-CB 3.89Å; L606-P653 HydrophobicContact CD2-CG 3.75Å; V610-P653 HydrophobicContact CG1-CB 3.96Å; P653-V657 HydrophobicContact CB-CB 4.02Å; P653-V657 HydrophobicContact CB-CG1 3.96Å; P653-V657 HydrophobicContact CG-CG1 4.34Å; P653-I658 HydrophobicContact CG-CG1 3.75Å; P653-I658 WeakPolarHBondContact O-CD1 2.83Å; P653-V678 HydrophobicContact CG-CG1 4.28Å; P653-V678 HydrophobicContact CG-CG2 4.16Å |
| 654 | E | 86.8 | Confident | 88.7 | Confident | 141 Ų | 141 | 48.8 Ų | 48.8 | 66% | 0.659 | 27% | 0.269 | S | S | * | . | P | Polyproline II helix | trans | -51.8 | 143.8 | 172.2 | -72.8 | -64.1 | 162 | 0 | 0 | 112.8 | S656 V657 I658 | E654-S656 PolarHBondContact O-N 3.21Å; E654-V657 WeakPolarHBondContact O-CA 3.37Å; E654-V657 WeakPolarHBondContact O-CB 3.24Å; E654-V657 PolarHBondContact O-N 3.41Å; E654-I658 PolarHBondContact O-N 3.12Å; E654-I658 VanDerWaalsContact O-N 3.12Å |
| 655 | P | 86.3 | Confident | 88.4 | Confident | 79 Ų | 79 | 52.8 Ų | 52.8 | 51% | 0.513 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -54.8 | -28.7 | -177.9 | -28.4 | 35.9 | 0 | 0 | 0 | 114.9 | V657 I658 S659 | P655-V657 VanDerWaalsContact C-N 3.33Å; P655-I658 PolarHBondContact O-N 3.01Å; P655-S659 WeakPolarHBondContact O-CB 3.49Å; P655-S659 PolarHBondContact O-N 3.42Å |
| 656 | S | 86.8 | Confident | 88 | Confident | 76 Ų | 76 | 60.6 Ų | 60.6 | 53% | 0.531 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.4 | -30.9 | 175.5 | 62.3 | 0 | 0 | 0 | 0 | 113.2 | E654 K660 | E654-S656 PolarHBondContact O-N 3.21Å; S656-K660 WeakPolarHBondContact O-CG 3.31Å; S656-K660 PolarHBondContact O-N 3.44Å |
| 657 | V | 87.2 | Confident | 87.7 | Confident | 31 Ų | 31 | 62.4 Ų | 62.4 | 19% | 0.188 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -81.7 | -40.3 | 175.4 | 177.7 | 0 | 0 | 0 | 0 | 110.4 | L606 P653 E654 P655 S659 K660 I661 | L606-V657 HydrophobicContact CD2-CG1 3.99Å; P653-V657 HydrophobicContact CB-CB 4.02Å; P653-V657 HydrophobicContact CB-CG1 3.96Å; P653-V657 HydrophobicContact CG-CG1 4.34Å; E654-V657 WeakPolarHBondContact O-CA 3.37Å; E654-V657 WeakPolarHBondContact O-CB 3.24Å; E654-V657 PolarHBondContact O-N 3.41Å; P655-V657 VanDerWaalsContact C-N 3.33Å; V657-S659 PolarHBondContact O-N 3.38Å; V657-K660 PolarHBondContact O-N 2.94Å; V657-K660 VanDerWaalsContact O-N 3.13Å; V657-I661 HydrophobicContact CG1-CD1 3.92Å; V657-I661 PolarHBondContact O-N 3.46Å |
| 658 | I | 88.6 | Confident | 87.5 | Confident | 17 Ų | 17 | 61.2 Ų | 61.2 | 9% | 0.087 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -53.4 | -46.2 | 171 | -60 | 179 | 0 | 0 | 0 | 110.1 | P653 E654 P655 K660 I661 S662 V678 L687 | P653-I658 HydrophobicContact CG-CG1 3.75Å; P653-I658 WeakPolarHBondContact O-CD1 2.83Å; E654-I658 PolarHBondContact O-N 3.12Å; E654-I658 VanDerWaalsContact O-N 3.12Å; P655-I658 PolarHBondContact O-N 3.01Å; I658-K660 PolarHBondContact O-N 3.36Å; I658-I661 PolarHBondContact O-N 3.25Å; I658-S662 PolarHBondContact O-N 3.45Å; I658-V678 HydrophobicContact CB-CG1 4.41Å; I658-V678 HydrophobicContact CG1-CG1 4.21Å; I658-V678 HydrophobicContact CG2-CG1 4.3Å; I658-L687 HydrophobicContact CD1-CD2 4.45Å |
| 659 | S | 87.1 | Confident | 87.1 | Confident | 82 Ų | 82 | 68 Ų | 68 | 57% | 0.573 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.1 | -37.4 | 178.9 | -174.4 | 0 | 0 | 0 | 0 | 113.4 | P655 V657 S662 | P655-S659 WeakPolarHBondContact O-CB 3.49Å; P655-S659 PolarHBondContact O-N 3.42Å; V657-S659 PolarHBondContact O-N 3.38Å; S659-S662 WeakPolarHBondContact O-CB 3.44Å; S659-S662 PolarHBondContact O-N 3.42Å |
| 660 | K | 87.5 | Confident | 86.7 | Confident | 112 Ų | 112 | 68.7 Ų | 68.7 | 49% | 0.487 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.4 | -42.6 | 174.6 | -72.7 | 171.9 | -176.7 | 177.9 | 0 | 111.9 | Y605 S656 V657 I658 S662 S663 | Y605-K660 HydrophobicContact CD1-CB 4.21Å; Y605-K660 HydrophobicContact CD1-CD 4.12Å; Y605-K660 HydrophobicContact CE1-CB 4.49Å; Y605-K660 HydrophobicContact CE1-CD 4.4Å; S656-K660 WeakPolarHBondContact O-CG 3.31Å; S656-K660 PolarHBondContact O-N 3.44Å; V657-K660 PolarHBondContact O-N 2.94Å; V657-K660 VanDerWaalsContact O-N 3.13Å; I658-K660 PolarHBondContact O-N 3.36Å; K660-S662 VanDerWaalsContact C-N 3.28Å; K660-S662 PolarHBondContact O-N 3.1Å; K660-S663 PolarHBondContact O-N 2.85Å; K660-S663 PolarHBondContact O-OG 3.13Å |
| 661 | I | 87.3 | Confident | 86.5 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.6 | -34.2 | 177.4 | -66.6 | 165.4 | 0 | 0 | 0 | 110.5 | L606 V657 I658 S663 L664 E675 V678 C679 | L606-I661 HydrophobicContact CD2-CD1 3.55Å; L606-I661 HydrophobicContact CG-CD1 3.76Å; V657-I661 HydrophobicContact CG1-CD1 3.92Å; V657-I661 PolarHBondContact O-N 3.46Å; I658-I661 PolarHBondContact O-N 3.25Å; I661-S663 PolarHBondContact O-N 3.49Å; I661-L664 WeakPolarHBondContact O-CB 3.36Å; I661-L664 PolarHBondContact O-N 3.25Å; I661-E675 WeakPolarHBondContact CG2-O 3.49Å; I661-V678 HydrophobicContact CB-CG1 4.09Å; I661-V678 HydrophobicContact CD1-CB 4.23Å; I661-V678 HydrophobicContact CD1-CG1 3.76Å; I661-V678 HydrophobicContact CG2-CB 4.23Å; I661-V678 HydrophobicContact CG2-CG1 3.99Å; I661-C679 HydrophobicContact CG2-CB 3.98Å |
| 662 | S | 86.5 | Confident | 86.4 | Confident | 28 Ų | 28 | 61.5 Ų | 61.5 | 20% | 0.196 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.4 | -25 | 175.8 | -146.8 | 0 | 0 | 0 | 0 | 114.1 | I658 S659 K660 L664 K665 S682 | I658-S662 PolarHBondContact O-N 3.45Å; S659-S662 WeakPolarHBondContact O-CB 3.44Å; S659-S662 PolarHBondContact O-N 3.42Å; K660-S662 VanDerWaalsContact C-N 3.28Å; K660-S662 PolarHBondContact O-N 3.1Å; S662-L664 PolarHBondContact O-N 3.31Å; S662-K665 WeakPolarHBondContact O-CD 3.5Å; S662-K665 WeakPolarHBondContact O-CG 3.48Å; S662-K665 VanDerWaalsContact OG-CE 3.32Å; S662-K665 WeakPolarHBondContact OG-CE 3.4Å; S662-K665 PolarHBondContact OG-NZ 2.68Å; S662-S682 WeakPolarHBondContact CB-OG 3.4Å; S662-S682 WeakPolarHBondContact OG-CB 3.33Å; S662-S682 PolarHBondContact OG-OG 2.85Å |
| 663 | S | 85.9 | Confident | 86.2 | Confident | 89 Ų | 89 | 64.7 Ų | 64.7 | 62% | 0.622 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -2.3 | 175.9 | 73.3 | 0 | 0 | 0 | 0 | 113.9 | K660 I661 | K660-S663 PolarHBondContact O-N 2.85Å; K660-S663 PolarHBondContact O-OG 3.13Å; I661-S663 PolarHBondContact O-N 3.49Å |
| 664 | L | 85.4 | Confident | 86.2 | Confident | 16 Ų | 16 | 64.3 Ų | 64.3 | 8% | 0.084 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 17.1 | -178.8 | -52.2 | 170.6 | 0 | 0 | 0 | 112.6 | Y605 I661 S662 D666 E667 Y668 L671 | Y605-L664 HydrophobicContact CD2-CD1 3.51Å; Y605-L664 HydrophobicContact CE2-CD1 3.47Å; Y605-L664 VanDerWaalsContact CE2-CD1 3.47Å; Y605-L664 HydrophobicContact CE2-CD2 4.11Å; Y605-L664 HydrophobicContact CE2-CG 4.27Å; I661-L664 WeakPolarHBondContact O-CB 3.36Å; I661-L664 PolarHBondContact O-N 3.25Å; S662-L664 PolarHBondContact O-N 3.31Å; L664-D666 PolarHBondContact O-N 2.88Å; L664-E667 CarbonylContact O-C 3.52Å; L664-E667 WeakPolarHBondContact O-CA 3.49Å; L664-E667 PolarHBondContact O-N 3.5Å; L664-Y668 PolarHBondContact O-N 3.41Å; L664-L671 HydrophobicContact CB-CD1 4.31Å; L664-L671 HydrophobicContact CB-CD2 4.1Å; L664-L671 HydrophobicContact CD1-CD2 3.77Å |
| 665 | K | 82.8 | Confident | 86.4 | Confident | 93 Ų | 93 | 57.6 Ų | 57.6 | 40% | 0.404 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -55.7 | -35.9 | -177.5 | -80.4 | 170.3 | -178.4 | 178.3 | 0 | 113 | S662 E667 Y668 C679 | S662-K665 WeakPolarHBondContact O-CD 3.5Å; S662-K665 WeakPolarHBondContact O-CG 3.48Å; S662-K665 VanDerWaalsContact OG-CE 3.32Å; S662-K665 WeakPolarHBondContact OG-CE 3.4Å; S662-K665 PolarHBondContact OG-NZ 2.68Å; K665-E667 PolarHBondContact O-N 3.34Å; K665-Y668 WeakPolarHBondContact O-CB 3.49Å; K665-Y668 PolarHBondContact O-N 3.48Å; K665-C679 VanDerWaalsContact CG-SG 3.51Å |
| 666 | D | 83.6 | Confident | 86.6 | Confident | 164 Ų | 164 | 55.3 Ų | 55.3 | 88% | 0.877 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -71 | -17.5 | 177.8 | -54.8 | -40.9 | 0 | 0 | 0 | 113 | L664 | L664-D666 PolarHBondContact O-N 2.88Š|
| 667 | E | 84.8 | Confident | 86.9 | Confident | 93 Ų | 93 | 51.7 Ų | 51.7 | 44% | 0.435 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -108.2 | 20.8 | 177.5 | -66.9 | -170 | -125.7 | 0 | 0 | 112.7 | R604 L664 K665 E669 A670 L671 | R604-E667 IonicContact CZ-OE2 2.74Å; R604-E667 IonicContact NH1-OE1 2.67Å; R604-E667 IonicContact NH1-OE2 2.65Å; R604-E667 PolarHBondContact NH1-OE2 3.37Å; R604-E667 IonicContact NH2-OE2 2.64Å; R604-E667 PolarHBondContact NH2-OE2 2.76Å; L664-E667 CarbonylContact O-C 3.52Å; L664-E667 WeakPolarHBondContact O-CA 3.49Å; L664-E667 PolarHBondContact O-N 3.5Å; K665-E667 PolarHBondContact O-N 3.34Å; E667-E669 VanDerWaalsContact C-N 3.28Å; E667-E669 PolarHBondContact O-N 2.92Å; E667-E669 VanDerWaalsContact O-N 3.12Å; E667-A670 HydrophobicContact CB-CB 4.44Å; E667-A670 WeakPolarHBondContact O-CA 3.08Å; E667-A670 WeakPolarHBondContact O-CB 3.46Å; E667-A670 PolarHBondContact O-N 2.7Å; E667-L671 PolarHBondContact O-N 3.45Å |
| 668 | Y | 86.9 | Confident | 87.1 | Confident | 48 Ų | 48 | 50.2 Ų | 50.2 | 19% | 0.188 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -48.6 | -43.1 | -173.9 | 179.7 | -97.1 | 0 | 0 | 0 | 114.4 | L664 K665 A670 L671 Q676 C679 K680 | L664-Y668 PolarHBondContact O-N 3.41Å; K665-Y668 WeakPolarHBondContact O-CB 3.49Å; K665-Y668 PolarHBondContact O-N 3.48Å; Y668-A670 VanDerWaalsContact C-N 3.25Å; Y668-A670 PolarHBondContact O-N 3.39Å; Y668-L671 WeakPolarHBondContact O-CB 3.48Å; Y668-L671 PolarHBondContact O-N 3.14Å; Y668-Q676 HydrophobicContact CD2-CB 4.46Å; Y668-Q676 HydrophobicContact CD2-CG 4.27Å; Y668-Q676 HydrophobicContact CE1-CG 4.32Å; Y668-Q676 HydrophobicContact CE2-CB 3.68Å; Y668-Q676 HydrophobicContact CE2-CG 3.89Å; Y668-Q676 WeakPolarHBondContact O-CG 3.32Å; Y668-Q676 PolarHBondContact O-NE2 3.13Å; Y668-C679 HydrophobicContact CD2-CB 4.19Å; Y668-C679 HydrophobicContact CE2-CB 4.37Å; Y668-K680 HydrophobicContact CE2-CD 4.28Å; Y668-K680 HydrophobicContact CE2-CG 3.87Å; Y668-K680 VanDerWaalsContact OH-CE 3.29Å; Y668-K680 WeakPolarHBondContact OH-CE 3.43Å |
| 669 | E | 84.5 | Confident | 87.1 | Confident | 142 Ų | 142 | 49.7 Ų | 49.7 | 66% | 0.664 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -70.8 | -16.9 | 179.2 | -65.2 | -56.1 | 148.7 | 0 | 0 | 114 | K601 E667 | K601-E669 PolarHBondContact NZ-O 3.25Å; E667-E669 VanDerWaalsContact C-N 3.28Å; E667-E669 PolarHBondContact O-N 2.92Å; E667-E669 VanDerWaalsContact O-N 3.12Å |
| 670 | A | 83.5 | Confident | 87.2 | Confident | 48 Ų | 48 | 48.2 Ų | 48.2 | 40% | 0.397 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -86.8 | -17.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E667 Y668 | E667-A670 HydrophobicContact CB-CB 4.44Å; E667-A670 WeakPolarHBondContact O-CA 3.08Å; E667-A670 WeakPolarHBondContact O-CB 3.46Å; E667-A670 PolarHBondContact O-N 2.7Å; Y668-A670 VanDerWaalsContact C-N 3.25Å; Y668-A670 PolarHBondContact O-N 3.39Å |
| 671 | L | 86.4 | Confident | 87.3 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -69.7 | 157.1 | -179.7 | -60 | -177.9 | 0 | 0 | 0 | 112.6 | K601 L664 E667 Y668 E675 Q676 C679 | K601-L671 WeakPolarHBondContact CD-O 3.45Å; L664-L671 HydrophobicContact CB-CD1 4.31Å; L664-L671 HydrophobicContact CB-CD2 4.1Å; L664-L671 HydrophobicContact CD1-CD2 3.77Å; E667-L671 PolarHBondContact O-N 3.45Å; Y668-L671 WeakPolarHBondContact O-CB 3.48Å; Y668-L671 PolarHBondContact O-N 3.14Å; L671-E675 HydrophobicContact CB-CB 3.95Å; L671-E675 HydrophobicContact CD1-CB 4.39Å; L671-Q676 HydrophobicContact CB-CG 3.85Å; L671-C679 HydrophobicContact CD1-CB 4.07Å |
| 672 | A | 86.8 | Confident | 87.4 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 2% | 0.017 | 23% | 0.231 | C | C | . | . | trans | -74 | 156.8 | 168 | 0 | 0 | 0 | 0 | 0 | 111.1 | L603 E675 Q676 | L603-A672 HydrophobicContact CD2-CB 3.65Å; A672-E675 HydrophobicContact CB-CG 4.48Å; A672-E675 PolarHBondContact N-OE2 3.34Å; A672-E675 CarbonylContact O-C 3.5Å; A672-E675 WeakPolarHBondContact O-CA 3.49Å; A672-E675 WeakPolarHBondContact O-CB 3.36Å; A672-E675 PolarHBondContact O-N 2.88Å; A672-Q676 PolarHBondContact O-N 3.29Å | ||
| 673 | E | 87.5 | Confident | 87.3 | Confident | 86 Ų | 86 | 45 Ų | 45 | 40% | 0.402 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -46.6 | -50.8 | -179.8 | -172.9 | -174.3 | 176.7 | 0 | 0 | 115.2 | Y625 E675 Q676 F677 | Y625-E673 WeakPolarHBondContact OH-CG 3.19Å; Y625-E673 PolarHBondContact OH-OE1 3.35Å; E673-E675 VanDerWaalsContact C-N 3.31Å; E673-E675 PolarHBondContact O-N 3.13Å; E673-Q676 WeakPolarHBondContact O-CB 3.36Å; E673-Q676 PolarHBondContact O-N 3.24Å; E673-F677 PolarHBondContact O-N 3.27Å |
| 674 | P | 89 | Confident | 87.4 | Confident | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.019 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.4 | -29.3 | 177.7 | 27.5 | -35.4 | 0 | 0 | 0 | 112.9 | L603 L606 A611 L614 V678 | L603-P674 HydrophobicContact CD2-CG 4.28Å; L606-P674 HydrophobicContact CD1-CB 3.89Å; L606-P674 HydrophobicContact CD1-CG 4.16Å; A611-P674 HydrophobicContact CB-CG 3.92Å; L614-P674 HydrophobicContact CB-CB 3.71Å; L614-P674 HydrophobicContact CD1-CB 4.16Å; P674-V678 WeakPolarHBondContact O-CG2 3.24Å; P674-V678 PolarHBondContact O-N 3.05Å |
| 675 | E | 91 | Very high | 87.5 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -71.2 | -34.8 | 173.3 | -66.8 | 179.1 | 142.8 | 0 | 0 | 111.4 | L603 R604 Y605 L606 I661 L671 A672 E673 V678 C679 | L603-E675 HydrophobicContact CD2-CG 4.26Å; R604-E675 PolarHBondContact N-OE1 3.01Å; Y605-E675 PolarHBondContact N-OE1 3.39Å; L606-E675 HydrophobicContact CB-CG 4.43Å; L606-E675 HydrophobicContact CD1-CG 3.67Å; L606-E675 HydrophobicContact CG-CG 3.83Å; I661-E675 WeakPolarHBondContact CG2-O 3.49Å; L671-E675 HydrophobicContact CB-CB 3.95Å; L671-E675 HydrophobicContact CD1-CB 4.39Å; A672-E675 HydrophobicContact CB-CG 4.48Å; A672-E675 PolarHBondContact N-OE2 3.34Å; A672-E675 CarbonylContact O-C 3.5Å; A672-E675 WeakPolarHBondContact O-CA 3.49Å; A672-E675 WeakPolarHBondContact O-CB 3.36Å; A672-E675 PolarHBondContact O-N 2.88Å; E673-E675 VanDerWaalsContact C-N 3.31Å; E673-E675 PolarHBondContact O-N 3.13Å; E675-V678 PolarHBondContact O-N 3.49Å; E675-C679 WeakPolarHBondContact O-CB 3.48Å; E675-C679 PolarHBondContact O-N 3.46Å |
| 676 | Q | 90.8 | Very high | 87.7 | Confident | 30 Ų | 30 | 47 Ų | 47 | 14% | 0.14 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.1 | -46.2 | 172.1 | -72.7 | -173 | -26 | 0 | 0 | 111.3 | Y625 Y668 L671 A672 E673 C679 K680 | Y625-Q676 HydrophobicContact CE2-CB 4.35Å; Y668-Q676 HydrophobicContact CD2-CB 4.46Å; Y668-Q676 HydrophobicContact CD2-CG 4.27Å; Y668-Q676 HydrophobicContact CE1-CG 4.32Å; Y668-Q676 HydrophobicContact CE2-CB 3.68Å; Y668-Q676 HydrophobicContact CE2-CG 3.89Å; Y668-Q676 WeakPolarHBondContact O-CG 3.32Å; Y668-Q676 PolarHBondContact O-NE2 3.13Å; L671-Q676 HydrophobicContact CB-CG 3.85Å; A672-Q676 PolarHBondContact O-N 3.29Å; E673-Q676 WeakPolarHBondContact O-CB 3.36Å; E673-Q676 PolarHBondContact O-N 3.24Å; Q676-C679 WeakPolarHBondContact O-CB 3.46Å; Q676-C679 PolarHBondContact O-N 2.85Å; Q676-K680 WeakPolarHBondContact O-CG 3.27Å; Q676-K680 PolarHBondContact O-N 2.97Å |
| 677 | F | 92 | Very high | 88 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.1 | -50.7 | 173.4 | 170.4 | -111.1 | 0 | 0 | 0 | 111.9 | L614 L618 Y625 L628 L648 L652 E673 C679 K680 V681 | L614-F677 HydrophobicContact CD2-CD1 4.11Å; L614-F677 HydrophobicContact CD2-CE1 4.06Å; L618-F677 HydrophobicContact CD1-CB 3.51Å; L618-F677 HydrophobicContact CD1-CD1 3.81Å; L618-F677 HydrophobicContact CD1-CG 3.68Å; L618-F677 HydrophobicContact CD2-CB 4.26Å; L618-F677 HydrophobicContact CD2-CD1 3.87Å; L618-F677 HydrophobicContact CD2-CD2 3.71Å; L618-F677 HydrophobicContact CD2-CE1 4.12Å; L618-F677 HydrophobicContact CD2-CE2 4Å; L618-F677 HydrophobicContact CD2-CG 3.65Å; L618-F677 HydrophobicContact CD2-CZ 4.18Å; L618-F677 HydrophobicContact CG-CD1 4.31Å; L618-F677 HydrophobicContact CG-CG 4.28Å; Y625-F677 HydrophobicContact CD1-CB 4.3Å; Y625-F677 AromaticContact CD1-CD2 3.89Å; Y625-F677 HydrophobicContact CD1-CD2 3.89Å; Y625-F677 HydrophobicContact CD1-CG 4.49Å; Y625-F677 HydrophobicContact CD2-CB 4.06Å; Y625-F677 HydrophobicContact CE1-CB 4.36Å; Y625-F677 HydrophobicContact CE2-CB 4.11Å; Y625-F677 HydrophobicContact CG-CB 4.18Å; Y625-F677 AromaticContact CG-CD2 3.97Å; Y625-F677 HydrophobicContact CG-CD2 3.97Å; L628-F677 HydrophobicContact CD2-CE2 3.72Å; L628-F677 HydrophobicContact CD2-CZ 4.06Å; L628-F677 HydrophobicContact CG-CE2 4.36Å; L648-F677 HydrophobicContact CD2-CE1 4.23Å; L648-F677 HydrophobicContact CD2-CZ 3.92Å; L652-F677 HydrophobicContact CD2-CE1 3.91Å; E673-F677 PolarHBondContact O-N 3.27Å; F677-C679 VanDerWaalsContact C-N 3.26Å; F677-C679 PolarHBondContact O-N 3.43Å; F677-K680 WeakPolarHBondContact O-CB 3.47Å; F677-K680 PolarHBondContact O-N 3.24Å; F677-V681 HydrophobicContact CD2-CG1 4.19Å; F677-V681 HydrophobicContact CE1-CG2 4.26Å; F677-V681 HydrophobicContact CE2-CG1 3.5Å; F677-V681 HydrophobicContact CE2-CG2 4.43Å; F677-V681 HydrophobicContact CZ-CG1 3.8Å; F677-V681 HydrophobicContact CZ-CG2 4.12Å; F677-V681 PolarHBondContact O-N 3.44Å |
| 678 | V | 91.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59 | -40.2 | 177.4 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | L614 L652 P653 I658 I661 P674 E675 K680 V681 S682 | L614-V678 HydrophobicContact CD1-CG2 3.66Å; L652-V678 HydrophobicContact CD2-CG2 4.35Å; P653-V678 HydrophobicContact CG-CG1 4.28Å; P653-V678 HydrophobicContact CG-CG2 4.16Å; I658-V678 HydrophobicContact CB-CG1 4.41Å; I658-V678 HydrophobicContact CG1-CG1 4.21Å; I658-V678 HydrophobicContact CG2-CG1 4.3Å; I661-V678 HydrophobicContact CB-CG1 4.09Å; I661-V678 HydrophobicContact CD1-CB 4.23Å; I661-V678 HydrophobicContact CD1-CG1 3.76Å; I661-V678 HydrophobicContact CG2-CB 4.23Å; I661-V678 HydrophobicContact CG2-CG1 3.99Å; P674-V678 WeakPolarHBondContact O-CG2 3.24Å; P674-V678 PolarHBondContact O-N 3.05Å; E675-V678 PolarHBondContact O-N 3.49Å; V678-K680 VanDerWaalsContact C-N 3.34Å; V678-K680 PolarHBondContact O-N 3.06Å; V678-V681 PolarHBondContact O-N 3.14Å; V678-S682 WeakPolarHBondContact O-CA 3.28Å; V678-S682 WeakPolarHBondContact O-CB 3.29Å; V678-S682 PolarHBondContact O-N 3.25Å |
| 679 | C | 89.1 | Confident | 88.5 | Confident | 6 Ų | 6 | 36.6 Ų | 36.6 | 4% | 0.041 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59 | -42.8 | 174.6 | -171.9 | 0 | 0 | 0 | 0 | 112 | I661 K665 Y668 L671 E675 Q676 F677 S682 | I661-C679 HydrophobicContact CG2-CB 3.98Å; K665-C679 VanDerWaalsContact CG-SG 3.51Å; Y668-C679 HydrophobicContact CD2-CB 4.19Å; Y668-C679 HydrophobicContact CE2-CB 4.37Å; L671-C679 HydrophobicContact CD1-CB 4.07Å; E675-C679 WeakPolarHBondContact O-CB 3.48Å; E675-C679 PolarHBondContact O-N 3.46Å; Q676-C679 WeakPolarHBondContact O-CB 3.46Å; Q676-C679 PolarHBondContact O-N 2.85Å; F677-C679 VanDerWaalsContact C-N 3.26Å; F677-C679 PolarHBondContact O-N 3.43Å; C679-S682 PolarHBondContact O-OG 2.7Å |
| 680 | K | 89.2 | Confident | 88.9 | Confident | 51 Ų | 51 | 29.9 Ų | 29.9 | 22% | 0.222 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.7 | -33.6 | 177.8 | -73.5 | -74 | -172.2 | 156.7 | 0 | 114.4 | D626 R629 Y668 Q676 F677 V678 D683 | D626-K680 WeakPolarHBondContact OD1-CD 3.41Å; D626-K680 IonicContact OD1-NZ 3.82Å; D626-K680 PolarHBondContact OD1-NZ 2.92Å; D626-K680 WeakPolarHBondContact OD2-CE 3.32Å; D626-K680 IonicContact OD2-NZ 2.71Å; D626-K680 PolarHBondContact OD2-NZ 3.38Å; R629-K680 VanDerWaalsContact CD-O 3.31Å; R629-K680 WeakPolarHBondContact CD-O 3.45Å; Y668-K680 HydrophobicContact CE2-CD 4.28Å; Y668-K680 HydrophobicContact CE2-CG 3.87Å; Y668-K680 VanDerWaalsContact OH-CE 3.29Å; Y668-K680 WeakPolarHBondContact OH-CE 3.43Å; Q676-K680 WeakPolarHBondContact O-CG 3.27Å; Q676-K680 PolarHBondContact O-N 2.97Å; F677-K680 WeakPolarHBondContact O-CB 3.47Å; F677-K680 PolarHBondContact O-N 3.24Å; V678-K680 VanDerWaalsContact C-N 3.34Å; V678-K680 PolarHBondContact O-N 3.06Å; K680-D683 VanDerWaalsContact O-OD1 3.14Å |
| 681 | V | 90.5 | Very high | 89.4 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -94.6 | -9.7 | 176.8 | -59.7 | 0 | 0 | 0 | 0 | 113.8 | R629 L652 F677 V678 D683 I684 L687 | R629-V681 HydrophobicContact CB-CG1 4.34Å; L652-V681 HydrophobicContact CD2-CG2 4.27Å; F677-V681 HydrophobicContact CD2-CG1 4.19Å; F677-V681 HydrophobicContact CE1-CG2 4.26Å; F677-V681 HydrophobicContact CE2-CG1 3.5Å; F677-V681 HydrophobicContact CE2-CG2 4.43Å; F677-V681 HydrophobicContact CZ-CG1 3.8Å; F677-V681 HydrophobicContact CZ-CG2 4.12Å; F677-V681 PolarHBondContact O-N 3.44Å; V678-V681 PolarHBondContact O-N 3.14Å; V681-D683 PolarHBondContact O-N 2.65Å; V681-I684 WeakPolarHBondContact O-CB 3.3Å; V681-I684 PolarHBondContact O-N 3.03Å; V681-I684 VanDerWaalsContact O-N 3.12Å; V681-L687 HydrophobicContact CB-CD1 4.49Å; V681-L687 HydrophobicContact CB-CD2 3.81Å; V681-L687 HydrophobicContact CG2-CD2 3.51Å |
| 682 | S | 87.9 | Confident | 89.8 | Confident | 18 Ų | 18 | 30.8 Ų | 30.8 | 13% | 0.126 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -18.1 | -177.9 | 68 | 0 | 0 | 0 | 0 | 114.8 | S662 V678 C679 | S662-S682 WeakPolarHBondContact CB-OG 3.4Å; S662-S682 WeakPolarHBondContact OG-CB 3.33Å; S662-S682 PolarHBondContact OG-OG 2.85Å; V678-S682 WeakPolarHBondContact O-CA 3.28Å; V678-S682 WeakPolarHBondContact O-CB 3.29Å; V678-S682 PolarHBondContact O-N 3.25Å; C679-S682 PolarHBondContact O-OG 2.7Å |
| 683 | D | 84.7 | Confident | 90.1 | Very high | 54 Ų | 54 | 31 Ų | 31 | 29% | 0.289 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -19.6 | 176 | 61.2 | -1.2 | 0 | 0 | 0 | 113.2 | R629 K680 V681 K685 Q834 | R629-D683 IonicContact CZ-OD1 2.86Å; R629-D683 IonicContact CZ-OD2 2.63Å; R629-D683 VanDerWaalsContact CZ-OD2 3.23Å; R629-D683 IonicContact NE-OD1 3.66Å; R629-D683 PolarHBondContact NE-OD1 3.14Å; R629-D683 VanDerWaalsContact NE-OD1 3.12Å; R629-D683 IonicContact NE-OD2 3.56Å; R629-D683 PolarHBondContact NE-OD2 3.35Å; R629-D683 IonicContact NH2-OD1 3.19Å; R629-D683 IonicContact NH2-OD2 3.63Å; R629-D683 PolarHBondContact NH2-OD2 3.27Å; K680-D683 VanDerWaalsContact O-OD1 3.14Å; V681-D683 PolarHBondContact O-N 2.65Å; D683-K685 PolarHBondContact O-N 2.95Å; D683-Q834 PolarHBondContact O-OE1 3.22Å; D683-Q834 VanDerWaalsContact O-OE1 3.08Å |
| 684 | I | 88.2 | Confident | 90.5 | Very high | 6 Ų | 6 | 26.9 Ų | 26.9 | 3% | 0.031 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -68.8 | 99.6 | 173.4 | -54.7 | -177 | 0 | 0 | 0 | 108.9 | R629 I632 V681 K686 L687 | R629-I684 HydrophobicContact CG-CD1 3.88Å; R629-I684 HydrophobicContact CG-CG1 4.22Å; I632-I684 HydrophobicContact CB-CD1 4.06Å; I632-I684 HydrophobicContact CG2-CD1 3.84Å; V681-I684 WeakPolarHBondContact O-CB 3.3Å; V681-I684 PolarHBondContact O-N 3.03Å; V681-I684 VanDerWaalsContact O-N 3.12Å; I684-K686 PolarHBondContact O-N 3.43Å; I684-L687 HydrophobicContact CB-CB 4.39Å; I684-L687 HydrophobicContact CB-CD1 4.1Å; I684-L687 HydrophobicContact CD1-CD1 4.09Å; I684-L687 HydrophobicContact CG2-CB 4.42Å; I684-L687 HydrophobicContact CG2-CD1 4.04Å; I684-L687 WeakPolarHBondContact O-CB 3.28Å; I684-L687 PolarHBondContact O-N 2.99Å; I684-L687 VanDerWaalsContact O-N 3.15Å |
| 685 | K | 86.4 | Confident | 90.8 | Very high | 143 Ų | 143 | 27.6 Ų | 27.6 | 62% | 0.622 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53 | 133 | 174.3 | -71.5 | 167.9 | -170.5 | 170 | 0 | 110.6 | D683 L687 Q834 | D683-K685 PolarHBondContact O-N 2.95Å; K685-L687 VanDerWaalsContact C-N 3.3Å; K685-L687 PolarHBondContact O-N 3.48Å; K685-Q834 VanDerWaalsContact CB-OE1 3.23Å; K685-Q834 HydrophobicContact CD-CG 4.16Å |
| 686 | K | 87.4 | Confident | 91 | Very high | 90 Ų | 90 | 28.9 Ų | 28.9 | 39% | 0.391 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 46.6 | -177 | -66.1 | -176.3 | 162.2 | -165 | 0 | 112.6 | I684 I688 P689 R690 D827 T830 Y831 | I684-K686 PolarHBondContact O-N 3.43Å; K686-I688 PolarHBondContact O-N 3.07Å; K686-P689 HydrophobicContact CB-CB 4.32Å; K686-P689 HydrophobicContact CB-CG 4.11Å; K686-P689 WeakPolarHBondContact O-CD 3.13Å; K686-R690 WeakPolarHBondContact O-CB 3.39Å; K686-R690 PolarHBondContact O-N 3.12Å; K686-D827 IonicContact NZ-OD1 3.06Å; K686-D827 PolarHBondContact NZ-OD1 3.07Å; K686-T830 PolarHBondContact NZ-OG1 3.19Å; K686-Y831 HydrophobicContact CB-CE1 3.8Å; K686-Y831 VanDerWaalsContact CB-OH 3.22Å; K686-Y831 WeakPolarHBondContact CB-OH 3.25Å; K686-Y831 HydrophobicContact CD-CE1 4.15Å; K686-Y831 HydrophobicContact CG-CE1 4.43Å; K686-Y831 PolarHBondContact O-OH 3.23Å |
| 687 | L | 90.5 | Very high | 91.2 | Very high | 8 Ų | 8 | 29.6 Ų | 29.6 | 4% | 0.042 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -48.4 | -51 | 178.9 | 177.5 | 62 | 0 | 0 | 0 | 113.6 | I632 L652 I658 V681 I684 K685 R690 L691 | I632-L687 HydrophobicContact CG2-CD1 4.09Å; L652-L687 HydrophobicContact CD1-CD2 3.82Å; L652-L687 HydrophobicContact CD1-CG 4.21Å; L652-L687 HydrophobicContact CD2-CD2 4.3Å; I658-L687 HydrophobicContact CD1-CD2 4.45Å; V681-L687 HydrophobicContact CB-CD1 4.49Å; V681-L687 HydrophobicContact CB-CD2 3.81Å; V681-L687 HydrophobicContact CG2-CD2 3.51Å; I684-L687 HydrophobicContact CB-CB 4.39Å; I684-L687 HydrophobicContact CB-CD1 4.1Å; I684-L687 HydrophobicContact CD1-CD1 4.09Å; I684-L687 HydrophobicContact CG2-CB 4.42Å; I684-L687 HydrophobicContact CG2-CD1 4.04Å; I684-L687 WeakPolarHBondContact O-CB 3.28Å; I684-L687 PolarHBondContact O-N 2.99Å; I684-L687 VanDerWaalsContact O-N 3.15Å; K685-L687 VanDerWaalsContact C-N 3.3Å; K685-L687 PolarHBondContact O-N 3.48Å; L687-R690 WeakPolarHBondContact O-CB 3.48Å; L687-R690 PolarHBondContact O-N 2.96Å; L687-L691 HydrophobicContact CD1-CD1 3.86Å; L687-L691 HydrophobicContact CD1-CG 4.04Å; L687-L691 HydrophobicContact CG-CD1 3.95Å; L687-L691 HydrophobicContact CG-CG 4.5Å; L687-L691 WeakPolarHBondContact O-CG 3.14Å; L687-L691 PolarHBondContact O-N 3.09Å |
| 688 | I | 91.3 | Very high | 91.3 | Very high | 36 Ų | 36 | 31.8 Ų | 31.8 | 19% | 0.185 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65 | -49.9 | -176.8 | -54.9 | -58.9 | 0 | 0 | 0 | 112.3 | L652 K686 R690 L691 N692 | L652-I688 HydrophobicContact CB-CD1 3.64Å; L652-I688 HydrophobicContact CD1-CD1 3.56Å; L652-I688 HydrophobicContact CG-CD1 4.24Å; K686-I688 PolarHBondContact O-N 3.07Å; I688-R690 VanDerWaalsContact C-N 3.31Å; I688-R690 PolarHBondContact O-N 3Å; I688-L691 PolarHBondContact O-N 3.35Å; I688-N692 PolarHBondContact O-N 3.39Å; I688-N692 PolarHBondContact O-ND2 3.38Å |
| 689 | P | 91.4 | Very high | 91.4 | Very high | 43 Ų | 43 | 35.2 Ų | 35.2 | 28% | 0.279 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -54.9 | -40.8 | 170.1 | -28 | 33.5 | 0 | 0 | 0 | 114.4 | K686 N692 S693 D827 | K686-P689 HydrophobicContact CB-CB 4.32Å; K686-P689 HydrophobicContact CB-CG 4.11Å; K686-P689 WeakPolarHBondContact O-CD 3.13Å; P689-N692 PolarHBondContact O-N 2.53Å; P689-S693 WeakPolarHBondContact O-CB 3.4Å; P689-S693 PolarHBondContact O-N 2.85Å; P689-S693 PolarHBondContact O-OG 3.46Å; P689-D827 WeakPolarHBondContact CB-OD2 3.23Å |
| 690 | R | 92.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61 | -48.9 | 176.6 | 170.2 | 168.5 | -68.6 | -139 | 8.9 | 111.8 | I632 L633 K686 L687 I688 S693 I694 Y831 D838 Y840 | I632-R690 HydrophobicContact CG2-CG 4.19Å; I632-R690 PolarHBondContact O-NH1 3.01Å; L633-R690 PolarHBondContact O-NH1 3.24Å; K686-R690 WeakPolarHBondContact O-CB 3.39Å; K686-R690 PolarHBondContact O-N 3.12Å; L687-R690 WeakPolarHBondContact O-CB 3.48Å; L687-R690 PolarHBondContact O-N 2.96Å; I688-R690 VanDerWaalsContact C-N 3.31Å; I688-R690 PolarHBondContact O-N 3Å; R690-S693 WeakPolarHBondContact O-CB 3.39Å; R690-S693 PolarHBondContact O-N 3.41Å; R690-I694 HydrophobicContact CG-CD1 3.98Å; R690-I694 WeakPolarHBondContact O-CG1 3.28Å; R690-I694 PolarHBondContact O-N 3.13Å; R690-Y831 WeakPolarHBondContact CB-OH 3.28Å; R690-Y831 PolarHBondContact N-OH 2.99Å; R690-D838 IonicContact CZ-OD1 3.43Å; R690-D838 VanDerWaalsContact CZ-OD1 3.24Å; R690-D838 IonicContact NH1-OD1 3.3Å; R690-D838 PolarHBondContact NH1-OD1 2.8Å; R690-D838 IonicContact NH1-OD2 2.75Å; R690-D838 IonicContact NH2-OD1 2.69Å; R690-D838 PolarHBondContact NH2-OD1 2.94Å; R690-D838 IonicContact NH2-OD2 2.89Å; R690-D838 PolarHBondContact NH2-OD2 3.47Å; R690-Y840 HydrophobicContact CB-CE2 4.06Å; R690-Y840 HydrophobicContact CG-CD2 3.73Å; R690-Y840 HydrophobicContact CG-CE2 3.59Å; R690-Y840 VanDerWaalsContact CZ-CG 3.45Å |
| 691 | L | 94.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.1 | -44.6 | 178.8 | -71.5 | 170.1 | 0 | 0 | 0 | 112.2 | I632 L645 L648 V649 L652 L687 I688 S693 I694 L695 | I632-L691 HydrophobicContact CD1-CD2 3.97Å; I632-L691 HydrophobicContact CG1-CD2 3.93Å; I632-L691 HydrophobicContact CG2-CD2 4.01Å; L645-L691 HydrophobicContact CD2-CD2 3.65Å; L648-L691 HydrophobicContact CB-CD1 4.46Å; V649-L691 HydrophobicContact CG2-CB 3.6Å; V649-L691 HydrophobicContact CG2-CD1 4.37Å; L652-L691 HydrophobicContact CD1-CD1 3.41Å; L652-L691 VanDerWaalsContact CD1-CD1 3.41Å; L687-L691 HydrophobicContact CD1-CD1 3.86Å; L687-L691 HydrophobicContact CD1-CG 4.04Å; L687-L691 HydrophobicContact CG-CD1 3.95Å; L687-L691 HydrophobicContact CG-CG 4.5Å; L687-L691 WeakPolarHBondContact O-CG 3.14Å; L687-L691 PolarHBondContact O-N 3.09Å; I688-L691 PolarHBondContact O-N 3.35Å; L691-S693 VanDerWaalsContact C-N 3.29Å; L691-S693 PolarHBondContact O-N 2.93Å; L691-I694 PolarHBondContact O-N 2.92Å; L691-L695 WeakPolarHBondContact O-CB 3.21Å; L691-L695 PolarHBondContact O-N 3.06Å |
| 692 | N | 93.9 | Very high | 92 | Very high | 68 Ų | 68 | 43.6 Ų | 43.6 | 36% | 0.364 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.3 | -39.2 | 175.1 | -77.7 | -44 | 0 | 0 | 0 | 112.3 | V649 I688 P689 L695 F696 | V649-N692 WeakPolarHBondContact CG1-OD1 3.16Å; I688-N692 PolarHBondContact O-N 3.39Å; I688-N692 PolarHBondContact O-ND2 3.38Å; P689-N692 PolarHBondContact O-N 2.53Å; N692-L695 PolarHBondContact O-N 3.08Å; N692-F696 WeakPolarHBondContact O-CB 3.45Å; N692-F696 PolarHBondContact O-N 2.94Å |
| 693 | S | 94.4 | Very high | 92.2 | Very high | 5 Ų | 5 | 44.9 Ų | 44.9 | 4% | 0.035 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.9 | -41.3 | 179.3 | -60.7 | 0 | 0 | 0 | 0 | 112.4 | P689 R690 L691 K697 Y840 | P689-S693 WeakPolarHBondContact O-CB 3.4Å; P689-S693 PolarHBondContact O-N 2.85Å; P689-S693 PolarHBondContact O-OG 3.46Å; R690-S693 WeakPolarHBondContact O-CB 3.39Å; R690-S693 PolarHBondContact O-N 3.41Å; L691-S693 VanDerWaalsContact C-N 3.29Å; L691-S693 PolarHBondContact O-N 2.93Å; S693-K697 PolarHBondContact O-N 3.21Å; S693-Y840 WeakPolarHBondContact CB-OH 3.37Å; S693-Y840 PolarHBondContact OG-OH 2.84Å |
| 694 | I | 94.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.6 | -45 | 174.8 | -59.3 | 165.4 | 0 | 0 | 0 | 110.2 | V635 L640 L645 R690 L691 F696 K697 M698 Y840 | V635-I694 HydrophobicContact CG1-CD1 4.29Å; V635-I694 HydrophobicContact CG1-CG1 4.03Å; V635-I694 HydrophobicContact CG1-CG2 4.04Å; V635-I694 HydrophobicContact CG2-CD1 4.1Å; V635-I694 HydrophobicContact CG2-CG1 4.31Å; L640-I694 HydrophobicContact CD1-CG2 4.47Å; L645-I694 HydrophobicContact CD1-CB 4.16Å; L645-I694 HydrophobicContact CD1-CG2 3.59Å; R690-I694 HydrophobicContact CG-CD1 3.98Å; R690-I694 WeakPolarHBondContact O-CG1 3.28Å; R690-I694 PolarHBondContact O-N 3.13Å; L691-I694 PolarHBondContact O-N 2.92Å; I694-F696 VanDerWaalsContact C-N 3.31Å; I694-F696 PolarHBondContact O-N 3.19Å; I694-K697 WeakPolarHBondContact O-CB 2.99Å; I694-K697 PolarHBondContact O-N 2.82Å; I694-M698 WeakPolarHBondContact O-CG 3.35Å; I694-M698 PolarHBondContact O-N 3.29Å; I694-Y840 HydrophobicContact CD1-CD2 4.43Å; I694-Y840 HydrophobicContact CG1-CD2 4.34Å; I694-Y840 HydrophobicContact CG1-CE2 4.21Å |
| 695 | L | 95 | Very high | 92.8 | Very high | 19 Ų | 19 | 46.2 Ų | 46.2 | 10% | 0.099 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.7 | -45.3 | 176.5 | 175.1 | 57.6 | 0 | 0 | 0 | 111.7 | P642 L645 E646 L691 N692 M698 K699 | P642-L695 HydrophobicContact CB-CD1 3.96Å; P642-L695 VanDerWaalsContact O-CD1 3.23Å; P642-L695 WeakPolarHBondContact O-CD1 3.16Å; L645-L695 HydrophobicContact CB-CB 4.09Å; L645-L695 HydrophobicContact CB-CD1 4.18Å; L645-L695 HydrophobicContact CD1-CB 4.37Å; E646-L695 HydrophobicContact CB-CD1 4.35Å; E646-L695 HydrophobicContact CB-CD2 3.9Å; E646-L695 HydrophobicContact CG-CD2 4.27Å; L691-L695 WeakPolarHBondContact O-CB 3.21Å; L691-L695 PolarHBondContact O-N 3.06Å; N692-L695 PolarHBondContact O-N 3.08Å; L695-M698 PolarHBondContact O-N 3.45Å; L695-K699 HydrophobicContact CD1-CD 3.97Å; L695-K699 HydrophobicContact CD1-CG 4.27Å; L695-K699 PolarHBondContact O-N 2.95Å; L695-K699 VanDerWaalsContact O-N 3.08Å |
| 696 | F | 95.7 | Very high | 93 | Very high | 27 Ų | 27 | 43.8 Ų | 43.8 | 12% | 0.118 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.9 | -45.3 | 176.1 | -178.6 | -105.2 | 0 | 0 | 0 | 111.9 | N692 I694 M698 K699 F700 M817 S820 V821 I824 F847 | N692-F696 WeakPolarHBondContact O-CB 3.45Å; N692-F696 PolarHBondContact O-N 2.94Å; I694-F696 VanDerWaalsContact C-N 3.31Å; I694-F696 PolarHBondContact O-N 3.19Å; F696-M698 VanDerWaalsContact C-N 3.27Å; F696-M698 PolarHBondContact O-N 3.27Å; F696-K699 PolarHBondContact O-N 2.96Å; F696-F700 AromaticContact CE1-CD2 3.88Å; F696-F700 HydrophobicContact CE1-CD2 3.88Å; F696-F700 HydrophobicContact CE1-CE2 4.41Å; F696-F700 HydrophobicContact CE2-CD2 4.32Å; F696-F700 AromaticContact CZ-CD2 3.59Å; F696-F700 HydrophobicContact CZ-CD2 3.59Å; F696-F700 HydrophobicContact CZ-CE2 4.07Å; F696-F700 WeakPolarHBondContact O-CB 3.36Å; F696-F700 PolarHBondContact O-N 3.41Å; F696-M817 HydrophobicContact CE2-CB 4.29Å; F696-M817 HydrophobicContact CE2-CG 3.99Å; F696-M817 HydrophobicContact CZ-CB 4.11Å; F696-M817 HydrophobicContact CZ-CG 4.15Å; F696-S820 VanDerWaalsContact CD2-CB 3.47Å; F696-S820 VanDerWaalsContact CE2-CB 3.5Å; F696-V821 HydrophobicContact CE1-CG2 3.81Å; F696-V821 HydrophobicContact CZ-CG2 4.13Å; F696-I824 HydrophobicContact CD1-CD1 3.7Å; F696-I824 HydrophobicContact CE1-CD1 4.36Å; F696-F847 AromaticContact CD1-CE1 3.87Å; F696-F847 HydrophobicContact CD1-CE1 3.87Å; F696-F847 AromaticContact CD1-CZ 3.87Å; F696-F847 HydrophobicContact CD1-CZ 3.87Å; F696-F847 HydrophobicContact CE1-CE1 4.07Å; F696-F847 AromaticContact CE1-CZ 3.86Å; F696-F847 HydrophobicContact CE1-CZ 3.86Å |
| 697 | K | 95.3 | Very high | 93.3 | Very high | 44 Ų | 44 | 39.5 Ų | 39.5 | 19% | 0.191 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -52.9 | -44.8 | 174.2 | 172.8 | 178.1 | -176.3 | -64.3 | 0 | 112 | E637 S693 I694 V843 M844 F847 | E637-K697 WeakPolarHBondContact OE1-CE 3.45Å; E637-K697 IonicContact OE1-NZ 3.7Å; E637-K697 PolarHBondContact OE1-NZ 2.95Å; E637-K697 IonicContact OE2-NZ 3.7Å; E637-K697 PolarHBondContact OE2-NZ 3.07Å; S693-K697 PolarHBondContact O-N 3.21Å; I694-K697 WeakPolarHBondContact O-CB 2.99Å; I694-K697 PolarHBondContact O-N 2.82Å; K697-V843 HydrophobicContact CD-CG1 4.1Å; K697-M844 HydrophobicContact CB-SD 4.42Å; K697-M844 HydrophobicContact CD-SD 4.23Å; K697-F847 HydrophobicContact CB-CD1 4.07Å; K697-F847 HydrophobicContact CB-CD2 4.17Å; K697-F847 HydrophobicContact CB-CE1 4.05Å; K697-F847 HydrophobicContact CB-CE2 4.15Å; K697-F847 HydrophobicContact CB-CG 4.12Å; K697-F847 HydrophobicContact CB-CZ 4.1Å; K697-F847 HydrophobicContact CD-CB 4.06Å; K697-F847 HydrophobicContact CD-CD2 4.31Å; K697-F847 HydrophobicContact CD-CG 4.06Å; K697-F847 HydrophobicContact CG-CB 4.36Å; K697-F847 HydrophobicContact CG-CD1 4.29Å; K697-F847 HydrophobicContact CG-CD2 3.69Å; K697-F847 HydrophobicContact CG-CE2 4.03Å; K697-F847 HydrophobicContact CG-CG 3.82Å; K697-F847 HydrophobicContact CG-CZ 4.48Å |
| 698 | M | 93.4 | Very high | 93.5 | Very high | 48 Ų | 48 | 40 Ų | 40 | 24% | 0.236 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -70.2 | -38.2 | -178.4 | -63.6 | -169.3 | 81.3 | 0 | 0 | 113.3 | E637 L640 P642 L645 I694 L695 F696 | E637-M698 HydrophobicContact CB-CE 4.39Å; E637-M698 HydrophobicContact CG-CE 4.17Å; E637-M698 HydrophobicContact CG-CG 4.32Å; E637-M698 HydrophobicContact CG-SD 4.32Å; L640-M698 WeakPolarHBondContact O-CE 3.4Å; P642-M698 HydrophobicContact CG-CB 4Å; P642-M698 HydrophobicContact CG-CE 4.17Å; P642-M698 HydrophobicContact CG-SD 4.28Å; L645-M698 HydrophobicContact CD1-SD 3.72Å; I694-M698 WeakPolarHBondContact O-CG 3.35Å; I694-M698 PolarHBondContact O-N 3.29Å; L695-M698 PolarHBondContact O-N 3.45Å; F696-M698 VanDerWaalsContact C-N 3.27Å; F696-M698 PolarHBondContact O-N 3.27Å |
| 699 | K | 94.1 | Very high | 93.6 | Very high | 72 Ų | 72 | 40.7 Ų | 40.7 | 31% | 0.313 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -84 | -10.8 | 180 | -70.7 | -173 | 166.5 | -172.8 | 0 | 114.3 | P642 E646 L695 F696 N701 E702 K703 | P642-K699 HydrophobicContact CB-CD 4.46Å; P642-K699 HydrophobicContact CB-CG 4.03Å; E646-K699 IonicContact OE2-NZ 3.08Å; E646-K699 PolarHBondContact OE2-NZ 3.07Å; L695-K699 HydrophobicContact CD1-CD 3.97Å; L695-K699 HydrophobicContact CD1-CG 4.27Å; L695-K699 PolarHBondContact O-N 2.95Å; L695-K699 VanDerWaalsContact O-N 3.08Å; F696-K699 PolarHBondContact O-N 2.96Å; K699-N701 PolarHBondContact O-N 3.04Å; K699-E702 PolarHBondContact O-N 3.36Å; K699-K703 PolarHBondContact O-N 2.99Å |
| 700 | F | 95.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.7 | -47.2 | -171.4 | -176.2 | -110.9 | 0 | 0 | 0 | 113.9 | F696 K703 L704 M817 F847 A851 Q854 | F696-F700 AromaticContact CE1-CD2 3.88Å; F696-F700 HydrophobicContact CE1-CD2 3.88Å; F696-F700 HydrophobicContact CE1-CE2 4.41Å; F696-F700 HydrophobicContact CE2-CD2 4.32Å; F696-F700 AromaticContact CZ-CD2 3.59Å; F696-F700 HydrophobicContact CZ-CD2 3.59Å; F696-F700 HydrophobicContact CZ-CE2 4.07Å; F696-F700 WeakPolarHBondContact O-CB 3.36Å; F696-F700 PolarHBondContact O-N 3.41Å; F700-K703 PolarHBondContact O-N 2.99Å; F700-L704 HydrophobicContact CD1-CD1 3.81Å; F700-L704 HydrophobicContact CE1-CD1 3.33Å; F700-L704 HydrophobicContact CE1-CG 4.23Å; F700-L704 HydrophobicContact CE2-CD1 4.33Å; F700-L704 HydrophobicContact CE2-CG 4.43Å; F700-L704 HydrophobicContact CZ-CD1 3.63Å; F700-L704 HydrophobicContact CZ-CG 4.17Å; F700-L704 WeakPolarHBondContact O-CG 3.45Å; F700-L704 PolarHBondContact O-N 2.66Å; F700-M817 HydrophobicContact CD2-SD 4.48Å; F700-M817 HydrophobicContact CE2-SD 4.28Å; F700-F847 HydrophobicContact CB-CE2 3.86Å; F700-F847 HydrophobicContact CB-CZ 3.91Å; F700-F847 AromaticContact CD1-CE2 3.77Å; F700-F847 HydrophobicContact CD1-CE2 3.77Å; F700-F847 HydrophobicContact CD1-CZ 4.22Å; F700-F847 HydrophobicContact CD2-CZ 4.28Å; F700-F847 HydrophobicContact CE1-CE2 4.48Å; F700-F847 AromaticContact CG-CE2 3.84Å; F700-F847 HydrophobicContact CG-CE2 3.84Å; F700-F847 AromaticContact CG-CZ 3.88Å; F700-F847 HydrophobicContact CG-CZ 3.88Å; F700-A851 HydrophobicContact CD1-CB 4.49Å; F700-A851 HydrophobicContact CE1-CB 3.94Å; F700-A851 HydrophobicContact CE2-CB 4.15Å; F700-A851 HydrophobicContact CZ-CB 3.75Å; F700-Q854 HydrophobicContact CE1-CB 4.15Å; F700-Q854 HydrophobicContact CZ-CB 4.1Å |
| 701 | N | 92.7 | Very high | 93.9 | Very high | 106 Ų | 106 | 40.9 Ų | 40.9 | 57% | 0.567 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -69.5 | -36.7 | -178.4 | -69.4 | -20.2 | 0 | 0 | 0 | 112.3 | K699 L704 S705 | K699-N701 PolarHBondContact O-N 3.04Å; N701-L704 PolarHBondContact O-N 3.46Å; N701-S705 PolarHBondContact O-N 3.3Å; N701-S705 PolarHBondContact O-OG 3.41Å |
| 702 | E | 92.1 | Very high | 93.9 | Very high | 127 Ų | 127 | 41.3 Ų | 41.3 | 59% | 0.593 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -60.4 | -50 | 173.3 | -177.8 | -177.5 | -170.2 | 0 | 0 | 110.2 | K699 L704 S705 E706 | K699-E702 PolarHBondContact O-N 3.36Å; E702-L704 VanDerWaalsContact C-N 3.3Å; E702-L704 PolarHBondContact O-N 3.2Å; E702-S705 WeakPolarHBondContact CA-OG 3.39Å; E702-S705 PolarHBondContact O-N 2.82Å; E702-S705 VanDerWaalsContact O-N 3.09Å; E702-S705 PolarHBondContact O-OG 3.27Å; E702-E706 PolarHBondContact O-N 2.6Å |
| 703 | K | 93.1 | Very high | 94 | Very high | 44 Ų | 44 | 39.1 Ų | 39.1 | 19% | 0.191 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.3 | -35 | 177.1 | -160.4 | 73.7 | -159.2 | 160.8 | 0 | 112.7 | K699 F700 E706 V707 N813 M817 | K699-K703 PolarHBondContact O-N 2.99Å; F700-K703 PolarHBondContact O-N 2.99Å; K703-E706 VanDerWaalsContact CD-OE2 3.27Å; K703-E706 WeakPolarHBondContact CD-OE2 3.43Å; K703-E706 VanDerWaalsContact CE-OE2 3.26Å; K703-E706 WeakPolarHBondContact CE-OE2 3.27Å; K703-E706 VanDerWaalsContact NZ-CD 3.32Å; K703-E706 IonicContact NZ-OE1 2.69Å; K703-E706 PolarHBondContact NZ-OE1 2.98Å; K703-E706 IonicContact NZ-OE2 3.33Å; K703-E706 PolarHBondContact NZ-OE2 2.78Å; K703-E706 PolarHBondContact O-N 2.64Å; K703-V707 WeakPolarHBondContact O-CB 3.27Å; K703-V707 VanDerWaalsContact O-CG2 3.26Å; K703-V707 WeakPolarHBondContact O-CG2 3.32Å; K703-V707 PolarHBondContact O-N 2.89Å; K703-N813 WeakPolarHBondContact CE-OD1 3.26Å; K703-N813 PolarHBondContact NZ-OD1 2.91Å; K703-M817 HydrophobicContact CB-SD 4.26Å; K703-M817 HydrophobicContact CG-CE 4.29Å; K703-M817 HydrophobicContact CG-CG 4.31Å; K703-M817 HydrophobicContact CG-SD 3.88Å |
| 704 | L | 93 | Very high | 94.1 | Very high | 7 Ų | 7 | 39.1 Ų | 39.1 | 4% | 0.037 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68 | -40.3 | 172.1 | -78.4 | 176 | 0 | 0 | 0 | 112.8 | F700 N701 E702 E706 V707 K708 Q854 L858 | F700-L704 HydrophobicContact CD1-CD1 3.81Å; F700-L704 HydrophobicContact CE1-CD1 3.33Å; F700-L704 HydrophobicContact CE1-CG 4.23Å; F700-L704 HydrophobicContact CE2-CD1 4.33Å; F700-L704 HydrophobicContact CE2-CG 4.43Å; F700-L704 HydrophobicContact CZ-CD1 3.63Å; F700-L704 HydrophobicContact CZ-CG 4.17Å; F700-L704 WeakPolarHBondContact O-CG 3.45Å; F700-L704 PolarHBondContact O-N 2.66Å; N701-L704 PolarHBondContact O-N 3.46Å; E702-L704 VanDerWaalsContact C-N 3.3Å; E702-L704 PolarHBondContact O-N 3.2Å; L704-E706 PolarHBondContact O-N 3.03Å; L704-V707 PolarHBondContact O-N 3.36Å; L704-K708 VanDerWaalsContact O-CB 3.27Å; L704-K708 WeakPolarHBondContact O-CB 3.45Å; L704-K708 WeakPolarHBondContact O-CG 3.47Å; L704-K708 PolarHBondContact O-N 2.88Å; L704-Q854 HydrophobicContact CD1-CB 4.05Å; L704-L858 HydrophobicContact CD2-CD1 4.4Å; L704-L858 HydrophobicContact CD2-CD2 3.91Å |
| 705 | S | 90.8 | Very high | 94.1 | Very high | 81 Ų | 81 | 39.1 Ų | 39.1 | 57% | 0.566 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -69.9 | -20.6 | 176.8 | 58.2 | 0 | 0 | 0 | 0 | 113.7 | N701 E702 P709 | N701-S705 PolarHBondContact O-N 3.3Å; N701-S705 PolarHBondContact O-OG 3.41Å; E702-S705 WeakPolarHBondContact CA-OG 3.39Å; E702-S705 PolarHBondContact O-N 2.82Å; E702-S705 VanDerWaalsContact O-N 3.09Å; E702-S705 PolarHBondContact O-OG 3.27Å; S705-P709 WeakPolarHBondContact O-CD 3.48Å; S705-P709 VanDerWaalsContact O-CG 3.29Å; S705-P709 WeakPolarHBondContact O-CG 3.48Å |
| 706 | E | 91.2 | Very high | 94.1 | Very high | 92 Ų | 92 | 39 Ų | 39 | 43% | 0.43 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -78.6 | -51 | 169.9 | -174.1 | -171.6 | -174.3 | 0 | 0 | 111.1 | E702 K703 L704 | E702-E706 PolarHBondContact O-N 2.6Å; K703-E706 VanDerWaalsContact CD-OE2 3.27Å; K703-E706 WeakPolarHBondContact CD-OE2 3.43Å; K703-E706 VanDerWaalsContact CE-OE2 3.26Å; K703-E706 WeakPolarHBondContact CE-OE2 3.27Å; K703-E706 VanDerWaalsContact NZ-CD 3.32Å; K703-E706 IonicContact NZ-OE1 2.69Å; K703-E706 PolarHBondContact NZ-OE1 2.98Å; K703-E706 IonicContact NZ-OE2 3.33Å; K703-E706 PolarHBondContact NZ-OE2 2.78Å; K703-E706 PolarHBondContact O-N 2.64Å; L704-E706 PolarHBondContact O-N 3.03Å |
| 707 | V | 94.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -81.9 | -31.1 | -170 | 177.9 | 0 | 0 | 0 | 0 | 113.8 | K703 L704 I711 L810 N813 I814 M817 L858 | K703-V707 WeakPolarHBondContact O-CB 3.27Å; K703-V707 VanDerWaalsContact O-CG2 3.26Å; K703-V707 WeakPolarHBondContact O-CG2 3.32Å; K703-V707 PolarHBondContact O-N 2.89Å; L704-V707 PolarHBondContact O-N 3.36Å; V707-I711 HydrophobicContact CG1-CD1 4Å; V707-I711 WeakPolarHBondContact O-CG1 3.5Å; V707-I711 PolarHBondContact O-N 3.19Å; V707-L810 HydrophobicContact CG1-CD2 3.77Å; V707-N813 HydrophobicContact CG2-CB 3.8Å; V707-I814 HydrophobicContact CG1-CG1 4.28Å; V707-M817 HydrophobicContact CG1-CE 4.49Å; V707-M817 HydrophobicContact CG2-CE 4.26Å; V707-L858 HydrophobicContact CG1-CD1 4.19Å; V707-L858 HydrophobicContact CG1-CD2 4.03Å; V707-L858 HydrophobicContact CG1-CG 4.47Å |
| 708 | K | 94.2 | Very high | 94.3 | Very high | 19 Ų | 19 | 35.7 Ų | 35.7 | 8% | 0.083 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.1 | -48.9 | -179.4 | -80 | -178.3 | 169.5 | -172.2 | 0 | 113 | E408 L704 E710 I711 V712 L858 | E408-K708 WeakPolarHBondContact OE1-CD 3.46Å; E408-K708 WeakPolarHBondContact OE1-CE 3.43Å; E408-K708 IonicContact OE1-NZ 3.69Å; E408-K708 PolarHBondContact OE1-NZ 3.45Å; L704-K708 VanDerWaalsContact O-CB 3.27Å; L704-K708 WeakPolarHBondContact O-CB 3.45Å; L704-K708 WeakPolarHBondContact O-CG 3.47Å; L704-K708 PolarHBondContact O-N 2.88Å; K708-E710 VanDerWaalsContact C-N 3.33Å; K708-E710 PolarHBondContact O-N 2.91Å; K708-I711 PolarHBondContact O-N 3.3Å; K708-V712 WeakPolarHBondContact O-CG2 3.03Å; K708-V712 PolarHBondContact O-N 3.49Å; K708-L858 HydrophobicContact CG-CD1 3.64Å |
| 709 | P | 92.6 | Very high | 94.4 | Very high | 50 Ų | 50 | 35.5 Ų | 35.5 | 33% | 0.325 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.2 | -37.8 | 179.8 | -24.9 | 36.8 | 0 | 0 | 0 | 113.1 | S705 I711 V712 D713 | S705-P709 WeakPolarHBondContact O-CD 3.48Å; S705-P709 VanDerWaalsContact O-CG 3.29Å; S705-P709 WeakPolarHBondContact O-CG 3.48Å; P709-I711 VanDerWaalsContact C-N 3.32Å; P709-I711 PolarHBondContact O-N 3.03Å; P709-V712 WeakPolarHBondContact O-CB 3.42Å; P709-V712 PolarHBondContact O-N 2.88Å; P709-V712 VanDerWaalsContact O-N 3.09Å; P709-D713 PolarHBondContact O-N 3.49Å |
| 710 | E | 94.9 | Very high | 94.5 | Very high | 47 Ų | 47 | 33.5 Ų | 33.5 | 22% | 0.22 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58 | -42.5 | 175.8 | -69.6 | -172.4 | 155 | 0 | 0 | 112.3 | K708 V714 V805 L810 | K708-E710 VanDerWaalsContact C-N 3.33Å; K708-E710 PolarHBondContact O-N 2.91Å; E710-V714 WeakPolarHBondContact O-CG2 3.36Å; E710-V714 PolarHBondContact O-N 3.23Å; E710-V805 HydrophobicContact CB-CG1 3.85Å; E710-V805 HydrophobicContact CB-CG2 3.88Å; E710-V805 HydrophobicContact CG-CG1 4.4Å; E710-V805 HydrophobicContact CG-CG2 4.03Å; E710-L810 HydrophobicContact CB-CD2 3.86Å; E710-L810 VanDerWaalsContact OE2-CD2 3.23Å; E710-L810 WeakPolarHBondContact OE2-CD2 3.49Å |
| 711 | I | 95.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.9 | -37.3 | 175.7 | -63.2 | 165.5 | 0 | 0 | 0 | 111.2 | V707 K708 P709 D715 L810 I814 L858 M861 H862 M865 | V707-I711 HydrophobicContact CG1-CD1 4Å; V707-I711 WeakPolarHBondContact O-CG1 3.5Å; V707-I711 PolarHBondContact O-N 3.19Å; K708-I711 PolarHBondContact O-N 3.3Å; P709-I711 VanDerWaalsContact C-N 3.32Å; P709-I711 PolarHBondContact O-N 3.03Å; I711-D715 WeakPolarHBondContact O-CB 3.5Å; I711-D715 PolarHBondContact O-N 3.35Å; I711-L810 HydrophobicContact CD1-CD2 4.44Å; I711-L810 HydrophobicContact CG1-CD1 4.15Å; I711-L810 HydrophobicContact CG1-CD2 3.88Å; I711-I814 HydrophobicContact CD1-CD1 4.32Å; I711-L858 HydrophobicContact CD1-CD1 3.68Å; I711-L858 HydrophobicContact CD1-CG 4.15Å; I711-M861 HydrophobicContact CG2-CB 3.92Å; I711-H862 HydrophobicContact CD1-CB 4.05Å; I711-M865 HydrophobicContact CB-SD 4.3Å; I711-M865 HydrophobicContact CG1-SD 4.25Å; I711-M865 HydrophobicContact CG2-CB 4.19Å; I711-M865 HydrophobicContact CG2-SD 4Å |
| 712 | V | 94.8 | Very high | 94.7 | Very high | 10 Ų | 10 | 30.8 Ų | 30.8 | 6% | 0.061 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.1 | -48.9 | 176.9 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | Q404 L407 K708 P709 V714 D715 E716 M861 | Q404-V712 HydrophobicContact CB-CG2 4.47Å; Q404-V712 HydrophobicContact CG-CG2 4.34Å; L407-V712 HydrophobicContact CD1-CB 3.92Å; L407-V712 HydrophobicContact CD1-CG1 3.78Å; L407-V712 HydrophobicContact CD1-CG2 3.82Å; K708-V712 WeakPolarHBondContact O-CG2 3.03Å; K708-V712 PolarHBondContact O-N 3.49Å; P709-V712 WeakPolarHBondContact O-CB 3.42Å; P709-V712 PolarHBondContact O-N 2.88Å; P709-V712 VanDerWaalsContact O-N 3.09Å; V712-V714 PolarHBondContact O-N 3.34Å; V712-D715 PolarHBondContact O-N 3.16Å; V712-E716 WeakPolarHBondContact O-CG 3.42Å; V712-E716 PolarHBondContact O-N 2.68Å; V712-M861 HydrophobicContact CG2-CE 4.27Å |
| 713 | D | 94.6 | Very high | 94.7 | Very high | 22 Ų | 22 | 31.6 Ų | 31.6 | 12% | 0.118 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.8 | -45.2 | 179.7 | -82.1 | -37.8 | 0 | 0 | 0 | 112.2 | P709 A717 H798 R801 | P709-D713 PolarHBondContact O-N 3.49Å; D713-A717 WeakPolarHBondContact O-CB 3.32Å; D713-A717 PolarHBondContact O-N 3.38Å; D713-H798 IonicContact OD1-CD2 3.23Å; D713-H798 PolarHBondContact OD1-CD2 3.01Å; D713-R801 HydrophobicContact CB-CB 4.05Å; D713-R801 VanDerWaalsContact CG-CB 3.43Å; D713-R801 IonicContact OD1-CZ 2.68Å; D713-R801 VanDerWaalsContact OD1-CZ 3.31Å; D713-R801 IonicContact OD1-NE 3.78Å; D713-R801 PolarHBondContact OD1-NE 3.45Å; D713-R801 IonicContact OD1-NH2 2.81Å; D713-R801 PolarHBondContact OD1-NH2 3.42Å; D713-R801 VanDerWaalsContact OD2-CB 3.3Å; D713-R801 WeakPolarHBondContact OD2-CB 3.37Å; D713-R801 IonicContact OD2-NE 3.92Å |
| 714 | V | 96.9 | Very high | 94.9 | Very high | 4 Ų | 4 | 29.9 Ų | 29.9 | 2% | 0.024 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.6 | -43 | 176.9 | 174.9 | 0 | 0 | 0 | 0 | 111.5 | E710 V712 A717 L718 A802 V805 M865 M885 F889 | E710-V714 WeakPolarHBondContact O-CG2 3.36Å; E710-V714 PolarHBondContact O-N 3.23Å; V712-V714 PolarHBondContact O-N 3.34Å; V714-A717 PolarHBondContact O-N 2.94Å; V714-L718 HydrophobicContact CG1-CD1 3.88Å; V714-L718 HydrophobicContact CG1-CG 4.43Å; V714-L718 WeakPolarHBondContact O-CD1 3.4Å; V714-L718 WeakPolarHBondContact O-CG 3.18Å; V714-L718 PolarHBondContact O-N 3.36Å; V714-A802 HydrophobicContact CG2-CB 4.1Å; V714-V805 HydrophobicContact CG2-CB 3.78Å; V714-V805 HydrophobicContact CG2-CG1 3.76Å; V714-V805 HydrophobicContact CG2-CG2 4.03Å; V714-M865 HydrophobicContact CB-CG 3.93Å; V714-M865 HydrophobicContact CB-SD 3.71Å; V714-M865 HydrophobicContact CG1-CG 3.41Å; V714-M865 VanDerWaalsContact CG1-CG 3.41Å; V714-M865 HydrophobicContact CG1-SD 3.58Å; V714-M865 VanDerWaalsContact CG1-SD 3.58Å; V714-M865 HydrophobicContact CG2-SD 4.43Å; V714-M885 HydrophobicContact CG1-SD 3.74Å; V714-F889 HydrophobicContact CB-CE2 4.45Å; V714-F889 HydrophobicContact CG1-CE2 3.89Å; V714-F889 HydrophobicContact CG1-CZ 3.93Å; V714-F889 HydrophobicContact CG2-CE2 4.14Å |
| 715 | D | 95.6 | Very high | 95 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.2 | -46.1 | -179.1 | -178.3 | 118.2 | 0 | 0 | 0 | 111.9 | L407 I711 V712 L718 Q719 R864 K868 | L407-D715 HydrophobicContact CD1-CB 4.29Å; I711-D715 WeakPolarHBondContact O-CB 3.5Å; I711-D715 PolarHBondContact O-N 3.35Å; V712-D715 PolarHBondContact O-N 3.16Å; D715-L718 PolarHBondContact O-N 2.78Å; D715-Q719 PolarHBondContact O-N 3.18Å; D715-R864 VanDerWaalsContact CG-NH2 3.31Å; D715-R864 IonicContact OD1-CZ 2.75Å; D715-R864 VanDerWaalsContact OD1-CZ 3.3Å; D715-R864 IonicContact OD1-NE 2.66Å; D715-R864 PolarHBondContact OD1-NE 2.94Å; D715-R864 VanDerWaalsContact OD1-NE 3.08Å; D715-R864 IonicContact OD1-NH2 3.9Å; D715-R864 PolarHBondContact OD1-NH2 2.89Å; D715-R864 IonicContact OD2-NH2 3.28Å; D715-R864 PolarHBondContact OD2-NH2 3.23Å; D715-K868 IonicContact OD1-NZ 3.83Å; D715-K868 PolarHBondContact OD1-NZ 3.44Å; D715-K868 IonicContact OD2-NZ 3.8Å; D715-K868 PolarHBondContact OD2-NZ 2.86Å |
| 716 | E | 95.3 | Very high | 95.3 | Very high | 17 Ų | 17 | 33.7 Ų | 33.7 | 8% | 0.079 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -69.3 | -41.7 | 175.9 | -65 | -67.4 | 159.4 | 0 | 0 | 111.4 | K406 L407 V712 L718 Q719 E720 H798 | K406-E716 VanDerWaalsContact NZ-CD 3.34Å; K406-E716 IonicContact NZ-OE1 3.28Å; K406-E716 PolarHBondContact NZ-OE1 2.87Å; K406-E716 IonicContact NZ-OE2 3.05Å; K406-E716 PolarHBondContact NZ-OE2 2.89Å; L407-E716 HydrophobicContact CD1-CG 4.38Å; L407-E716 WeakPolarHBondContact CD2-OE1 3.46Å; V712-E716 WeakPolarHBondContact O-CG 3.42Å; V712-E716 PolarHBondContact O-N 2.68Å; E716-L718 VanDerWaalsContact C-N 3.26Å; E716-L718 PolarHBondContact O-N 2.76Å; E716-Q719 CarbonylContact O-C 3.45Å; E716-Q719 WeakPolarHBondContact O-CA 2.94Å; E716-Q719 WeakPolarHBondContact O-CB 3.45Å; E716-Q719 PolarHBondContact O-N 3.29Å; E716-Q719 PolarHBondContact OE2-OE1 2.72Å; E716-E720 WeakPolarHBondContact O-CG 3.23Å; E716-E720 PolarHBondContact O-N 3.25Å; E716-H798 HydrophobicContact CB-CB 4.27Å |
| 717 | A | 96.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.6 | -36.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D713 V714 E720 I721 H798 V799 A802 F889 | D713-A717 WeakPolarHBondContact O-CB 3.32Å; D713-A717 PolarHBondContact O-N 3.38Å; V714-A717 PolarHBondContact O-N 2.94Å; A717-E720 PolarHBondContact O-N 3.18Å; A717-I721 WeakPolarHBondContact O-CD1 3.35Å; A717-I721 WeakPolarHBondContact O-CG1 3.37Å; A717-I721 PolarHBondContact O-N 2.95Å; A717-I721 VanDerWaalsContact O-N 3.09Å; A717-H798 HydrophobicContact CB-CB 3.88Å; A717-V799 HydrophobicContact CB-CG2 4.12Å; A717-A802 HydrophobicContact CB-CB 3.66Å; A717-F889 HydrophobicContact CB-CD1 4.26Å; A717-F889 HydrophobicContact CB-CE1 3.67Å; A717-F889 HydrophobicContact CB-CZ 4.12Å |
| 718 | L | 97.7 | Very high | 95.7 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.8 | -33.6 | 173 | -67.3 | 166.5 | 0 | 0 | 0 | 112.3 | V714 D715 E716 H722 M865 K868 F869 V872 F889 | V714-L718 HydrophobicContact CG1-CD1 3.88Å; V714-L718 HydrophobicContact CG1-CG 4.43Å; V714-L718 WeakPolarHBondContact O-CD1 3.4Å; V714-L718 WeakPolarHBondContact O-CG 3.18Å; V714-L718 PolarHBondContact O-N 3.36Å; D715-L718 PolarHBondContact O-N 2.78Å; E716-L718 VanDerWaalsContact C-N 3.26Å; E716-L718 PolarHBondContact O-N 2.76Å; L718-H722 VanDerWaalsContact O-CB 3.27Å; L718-H722 WeakPolarHBondContact O-CB 3.45Å; L718-H722 PolarHBondContact O-N 3.36Å; L718-H722 VanDerWaalsContact O-N 3.11Å; L718-M865 HydrophobicContact CD1-CG 4.44Å; L718-M865 WeakPolarHBondContact CD1-O 3.5Å; L718-K868 HydrophobicContact CB-CB 4.2Å; L718-K868 HydrophobicContact CD1-CB 3.93Å; L718-F869 HydrophobicContact CD1-CB 3.99Å; L718-F869 HydrophobicContact CD2-CB 4.26Å; L718-F869 HydrophobicContact CD2-CD2 3.92Å; L718-V872 HydrophobicContact CB-CG2 4.18Å; L718-V872 HydrophobicContact CD2-CB 4.12Å; L718-V872 HydrophobicContact CD2-CG1 4.35Å; L718-V872 HydrophobicContact CD2-CG2 3.89Å; L718-F889 HydrophobicContact CD2-CE1 4.13Å; L718-F889 HydrophobicContact CD2-CZ 3.88Å; L718-F889 HydrophobicContact CG-CE1 4.39Å; L718-F889 HydrophobicContact CG-CZ 3.94Å |
| 719 | Q | 95.4 | Very high | 95.8 | Very high | 44 Ų | 44 | 33.9 Ų | 33.9 | 21% | 0.206 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.4 | -44.6 | 172.2 | -68.2 | -164 | -23.2 | 0 | 0 | 111.7 | K406 D715 E716 I721 H722 F723 K868 | K406-Q719 VanDerWaalsContact NZ-OE1 3.1Å; D715-Q719 PolarHBondContact O-N 3.18Å; E716-Q719 CarbonylContact O-C 3.45Å; E716-Q719 WeakPolarHBondContact O-CA 2.94Å; E716-Q719 WeakPolarHBondContact O-CB 3.45Å; E716-Q719 PolarHBondContact O-N 3.29Å; E716-Q719 PolarHBondContact OE2-OE1 2.72Å; Q719-I721 VanDerWaalsContact C-N 3.34Å; Q719-I721 PolarHBondContact O-N 3.37Å; Q719-H722 PolarHBondContact O-N 3.3Å; Q719-F723 HydrophobicContact CB-CD2 4.16Å; Q719-F723 HydrophobicContact CB-CE2 4.47Å; Q719-F723 HydrophobicContact CG-CE2 4.4Å; Q719-F723 WeakPolarHBondContact O-CB 3.14Å; Q719-F723 VanDerWaalsContact O-CD2 3.32Å; Q719-F723 WeakPolarHBondContact O-CD2 3.26Å; Q719-F723 PolarHBondContact O-N 2.91Å; Q719-K868 HydrophobicContact CG-CD 4.49Å |
| 720 | E | 96.4 | Very high | 96 | Very high | 29 Ų | 29 | 31.5 Ų | 31.5 | 14% | 0.136 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -52.5 | -50.6 | 174.7 | -71 | 178.9 | 161.7 | 0 | 0 | 110.8 | E716 A717 H722 S724 D795 F796 S797 H798 V799 | E716-E720 WeakPolarHBondContact O-CG 3.23Å; E716-E720 PolarHBondContact O-N 3.25Å; A717-E720 PolarHBondContact O-N 3.18Å; E720-H722 PolarHBondContact O-N 3.44Å; E720-S724 WeakPolarHBondContact O-CB 3.32Å; E720-S724 PolarHBondContact O-N 3.16Å; E720-D795 WeakPolarHBondContact CB-O 3.33Å; E720-D795 WeakPolarHBondContact CG-O 3.2Å; E720-F796 HydrophobicContact CB-CD1 4.07Å; E720-F796 HydrophobicContact CB-CE1 4.49Å; E720-F796 WeakPolarHBondContact OE2-CA 3.08Å; E720-S797 WeakPolarHBondContact OE1-CA 3.28Å; E720-S797 WeakPolarHBondContact OE1-CB 3.35Å; E720-S797 PolarHBondContact OE1-N 3.13Å; E720-S797 PolarHBondContact OE2-N 3.47Å; E720-H798 IonicContact OE1-CE1 3.79Å; E720-H798 IonicContact OE1-CG 2.91Å; E720-H798 PolarHBondContact OE1-N 3.17Å; E720-H798 IonicContact OE1-ND1 3.55Å; E720-H798 PolarHBondContact OE1-ND1 3.34Å; E720-H798 PolarHBondContact OE2-N 3.32Å; E720-V799 PolarHBondContact OE2-N 3.49Å |
| 721 | I | 97.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.3 | -42.7 | 178.8 | -66.3 | 164.5 | 0 | 0 | 0 | 112.4 | A717 Q719 F727 F796 V799 V872 L876 L888 F889 L892 | A717-I721 WeakPolarHBondContact O-CD1 3.35Å; A717-I721 WeakPolarHBondContact O-CG1 3.37Å; A717-I721 PolarHBondContact O-N 2.95Å; A717-I721 VanDerWaalsContact O-N 3.09Å; Q719-I721 VanDerWaalsContact C-N 3.34Å; Q719-I721 PolarHBondContact O-N 3.37Å; I721-F727 HydrophobicContact CG2-CE1 4.39Å; I721-F796 HydrophobicContact CG1-CE1 4.11Å; I721-F796 HydrophobicContact CG1-CZ 4.12Å; I721-V799 HydrophobicContact CG1-CG2 4.48Å; I721-V872 HydrophobicContact CG2-CG1 3.8Å; I721-L876 HydrophobicContact CG2-CD1 3.77Å; I721-L888 HydrophobicContact CD1-CD2 4.21Å; I721-L888 HydrophobicContact CD1-CG 4.47Å; I721-F889 HydrophobicContact CD1-CD1 3.98Å; I721-F889 HydrophobicContact CD1-CE1 3.73Å; I721-L892 HydrophobicContact CD1-CD1 3.42Å; I721-L892 VanDerWaalsContact CD1-CD1 3.42Å; I721-L892 HydrophobicContact CG1-CD1 3.67Å; I721-L892 HydrophobicContact CG2-CD1 4.38Å |
| 722 | H | 95.3 | Very high | 96.2 | Very high | 50 Ų | 50 | 30 Ų | 30 | 23% | 0.231 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -75.8 | -33.6 | -174.3 | -172.8 | -97.7 | 0 | 0 | 0 | 113.4 | L718 Q719 E720 V872 Y875 | L718-H722 VanDerWaalsContact O-CB 3.27Å; L718-H722 WeakPolarHBondContact O-CB 3.45Å; L718-H722 PolarHBondContact O-N 3.36Å; L718-H722 VanDerWaalsContact O-N 3.11Å; Q719-H722 PolarHBondContact O-N 3.3Å; E720-H722 PolarHBondContact O-N 3.44Å; H722-V872 HydrophobicContact CB-CG2 4.12Å; H722-Y875 AromaticContact CD2-CG 3.78Å |
| 723 | F | 93.9 | Very high | 96.2 | Very high | 144 Ų | 144 | 29.5 Ų | 29.5 | 63% | 0.632 | 13% | 0.132 | S | C | * | . | H | α-helix | trans | -107.8 | -7.9 | -173.1 | -62.5 | -65.4 | 0 | 0 | 0 | 114.5 | Q719 K725 | Q719-F723 HydrophobicContact CB-CD2 4.16Å; Q719-F723 HydrophobicContact CB-CE2 4.47Å; Q719-F723 HydrophobicContact CG-CE2 4.4Å; Q719-F723 WeakPolarHBondContact O-CB 3.14Å; Q719-F723 VanDerWaalsContact O-CD2 3.32Å; Q719-F723 WeakPolarHBondContact O-CD2 3.26Å; Q719-F723 PolarHBondContact O-N 2.91Å; F723-K725 PolarHBondContact O-N 3.22Å |
| 724 | S | 96.3 | Very high | 96.3 | Very high | 8 Ų | 8 | 28.7 Ų | 28.7 | 6% | 0.056 | 13% | 0.128 | C | C | . | . | trans | -63.1 | 105.4 | 175.6 | 170.1 | 0 | 0 | 0 | 0 | 112.2 | E720 H726 F727 K728 D795 | E720-S724 WeakPolarHBondContact O-CB 3.32Å; E720-S724 PolarHBondContact O-N 3.16Å; S724-H726 PolarHBondContact O-N 3.01Å; S724-H726 PolarHBondContact OG-N 2.94Å; S724-F727 WeakPolarHBondContact OG-CB 3.49Å; S724-F727 PolarHBondContact OG-N 3.19Å; S724-K728 PolarHBondContact O-N 3.41Å; S724-K728 VanDerWaalsContact O-N 3.12Å; S724-D795 WeakPolarHBondContact CB-OD2 3.38Å; S724-D795 PolarHBondContact OG-OD2 3.1Å | ||
| 725 | K | 95.7 | Very high | 96.3 | Very high | 147 Ų | 147 | 28.5 Ų | 28.5 | 64% | 0.639 | 13% | 0.127 | S | C | * | . | H | α-helix | trans | -64.2 | -29.8 | 170.3 | 70.4 | -173.6 | -177.2 | -175.6 | 0 | 112.2 | F723 R729 | F723-K725 PolarHBondContact O-N 3.22Å; K725-R729 PolarHBondContact O-N 3.27Å; K725-R729 VanDerWaalsContact O-N 3.12Å |
| 726 | H | 96.7 | Very high | 96.2 | Very high | 21 Ų | 21 | 28.5 Ų | 28.5 | 10% | 0.097 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -75.7 | -42.7 | -178.2 | -43.1 | 116.5 | 0 | 0 | 0 | 110.4 | S724 K728 R729 I730 T788 F792 D795 | S724-H726 PolarHBondContact O-N 3.01Å; S724-H726 PolarHBondContact OG-N 2.94Å; H726-K728 PolarHBondContact O-N 3.47Å; H726-R729 PolarHBondContact O-N 3.36Å; H726-I730 WeakPolarHBondContact O-CG1 3.44Å; H726-I730 PolarHBondContact O-N 2.88Å; H726-T788 HydrophobicContact CB-CG2 4.04Å; H726-F792 HydrophobicContact CB-CB 3.86Å; H726-F792 HydrophobicContact CB-CD2 4.39Å; H726-D795 WeakPolarHBondContact CB-OD2 3.07Å; H726-D795 IonicContact CE1-OD1 3.39Å; H726-D795 PolarHBondContact CE1-OD1 3.2Å; H726-D795 IonicContact CE1-OD2 3.23Å; H726-D795 IonicContact CG-OD2 2.7Å; H726-D795 IonicContact ND1-OD1 2.65Å; H726-D795 PolarHBondContact ND1-OD1 2.89Å; H726-D795 IonicContact ND1-OD2 2.85Å; H726-D795 PolarHBondContact ND1-OD2 3.03Å |
| 727 | F | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.2 | -45.2 | 171.2 | -175.6 | -123.7 | 0 | 0 | 0 | 111.5 | I721 S724 R729 I730 L731 L758 F792 F796 L876 L892 F895 | I721-F727 HydrophobicContact CG2-CE1 4.39Å; S724-F727 WeakPolarHBondContact OG-CB 3.49Å; S724-F727 PolarHBondContact OG-N 3.19Å; F727-R729 VanDerWaalsContact C-N 3.34Å; F727-R729 PolarHBondContact O-N 3.43Å; F727-I730 WeakPolarHBondContact O-CB 3.35Å; F727-I730 PolarHBondContact O-N 3.1Å; F727-I730 VanDerWaalsContact O-N 3.12Å; F727-L731 HydrophobicContact CD1-CD1 4.17Å; F727-L731 HydrophobicContact CE1-CD1 3.77Å; F727-L731 HydrophobicContact CE1-CG 4.29Å; F727-L731 HydrophobicContact CE2-CD2 4.12Å; F727-L731 HydrophobicContact CE2-CG 4.24Å; F727-L731 HydrophobicContact CZ-CD1 3.98Å; F727-L731 HydrophobicContact CZ-CD2 3.97Å; F727-L731 HydrophobicContact CZ-CG 4.1Å; F727-L731 WeakPolarHBondContact O-CG 3.39Å; F727-L731 PolarHBondContact O-N 3.16Å; F727-L758 HydrophobicContact CE2-CD1 3.74Å; F727-L758 HydrophobicContact CZ-CD1 4.09Å; F727-F792 HydrophobicContact CB-CD2 4.21Å; F727-F792 HydrophobicContact CB-CE2 3.83Å; F727-F792 AromaticContact CD2-CE2 3.82Å; F727-F792 HydrophobicContact CD2-CE2 3.82Å; F727-F792 HydrophobicContact CD2-CZ 4.01Å; F727-F792 HydrophobicContact CG-CE2 4.22Å; F727-F796 HydrophobicContact CB-CE1 4.4Å; F727-F796 HydrophobicContact CB-CZ 4.13Å; F727-F796 HydrophobicContact CD1-CZ 4.01Å; F727-F796 HydrophobicContact CD2-CE2 4.17Å; F727-F796 AromaticContact CD2-CZ 3.75Å; F727-F796 HydrophobicContact CD2-CZ 3.75Å; F727-F796 HydrophobicContact CE1-CZ 4.36Å; F727-F796 HydrophobicContact CE2-CE2 4.32Å; F727-F796 HydrophobicContact CE2-CZ 4.13Å; F727-F796 HydrophobicContact CG-CE1 4.39Å; F727-F796 AromaticContact CG-CZ 3.7Å; F727-F796 HydrophobicContact CG-CZ 3.7Å; F727-F796 HydrophobicContact CZ-CZ 4.43Å; F727-L876 HydrophobicContact CE1-CD1 4.48Å; F727-L876 HydrophobicContact CE1-CD2 4.17Å; F727-L892 HydrophobicContact CE2-CD2 3.82Å; F727-L892 HydrophobicContact CZ-CD2 3.6Å; F727-F895 HydrophobicContact CE2-CE1 4.48Å |
| 728 | K | 96.7 | Very high | 96 | Very high | 48 Ų | 48 | 28 Ų | 28 | 21% | 0.209 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -54.5 | -46.9 | 172.9 | 178.3 | 174 | 179.5 | -175.4 | 0 | 112.3 | V547 Q550 L551 S724 H726 I730 L731 E732 | V547-K728 HydrophobicContact CG2-CB 4.27Å; V547-K728 HydrophobicContact CG2-CD 4.13Å; V547-K728 HydrophobicContact CG2-CG 3.75Å; Q550-K728 WeakPolarHBondContact O-CE 3.46Å; Q550-K728 PolarHBondContact O-NZ 3.08Å; Q550-K728 VanDerWaalsContact O-NZ 3.13Å; L551-K728 HydrophobicContact CD2-CD 4.47Å; L551-K728 HydrophobicContact CD2-CG 3.88Å; S724-K728 PolarHBondContact O-N 3.41Å; S724-K728 VanDerWaalsContact O-N 3.12Å; H726-K728 PolarHBondContact O-N 3.47Å; K728-I730 VanDerWaalsContact C-N 3.34Å; K728-I730 PolarHBondContact O-N 2.94Å; K728-L731 PolarHBondContact O-N 3.32Å; K728-E732 WeakPolarHBondContact O-CB 3.49Å; K728-E732 PolarHBondContact O-N 3.06Å |
| 729 | R | 96.2 | Very high | 95.9 | Very high | 67 Ų | 67 | 28 Ų | 28 | 25% | 0.253 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -65.8 | -34.4 | 177.1 | 175.9 | 56.4 | 54.2 | 64.8 | -2.2 | 112.8 | K725 H726 F727 E732 L733 L781 F785 T788 | K725-R729 PolarHBondContact O-N 3.27Å; K725-R729 VanDerWaalsContact O-N 3.12Å; H726-R729 PolarHBondContact O-N 3.36Å; F727-R729 VanDerWaalsContact C-N 3.34Å; F727-R729 PolarHBondContact O-N 3.43Å; R729-E732 IonicContact CZ-OE2 3.64Å; R729-E732 IonicContact NE-OE2 3.9Å; R729-E732 PolarHBondContact NE-OE2 3.38Å; R729-E732 IonicContact NH2-OE2 3.97Å; R729-E732 WeakPolarHBondContact O-CB 3.41Å; R729-E732 PolarHBondContact O-N 3.19Å; R729-L733 PolarHBondContact O-N 3.46Å; R729-L781 HydrophobicContact CG-CD2 4.16Å; R729-F785 VanDerWaalsContact NH1-CD1 3.3Å; R729-T788 HydrophobicContact CB-CG2 3.95Å; R729-T788 HydrophobicContact CG-CG2 3.78Å |
| 730 | I | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.1 | -48.7 | 173.6 | -75.2 | 163.9 | 0 | 0 | 0 | 110.4 | H726 F727 K728 E732 L733 V734 L777 L781 T788 F792 F895 F899 | H726-I730 WeakPolarHBondContact O-CG1 3.44Å; H726-I730 PolarHBondContact O-N 2.88Å; F727-I730 WeakPolarHBondContact O-CB 3.35Å; F727-I730 PolarHBondContact O-N 3.1Å; F727-I730 VanDerWaalsContact O-N 3.12Å; K728-I730 VanDerWaalsContact C-N 3.34Å; K728-I730 PolarHBondContact O-N 2.94Å; I730-E732 VanDerWaalsContact C-N 3.3Å; I730-E732 PolarHBondContact O-N 3.06Å; I730-L733 PolarHBondContact O-N 3.24Å; I730-V734 HydrophobicContact CG2-CG2 4.43Å; I730-V734 WeakPolarHBondContact O-CB 3.35Å; I730-V734 VanDerWaalsContact O-CG2 3.28Å; I730-V734 WeakPolarHBondContact O-CG2 3.48Å; I730-V734 PolarHBondContact O-N 3.28Å; I730-L777 HydrophobicContact CG2-CD2 4.39Å; I730-L781 HydrophobicContact CG1-CD1 3.69Å; I730-T788 HydrophobicContact CD1-CG2 4.49Å; I730-T788 HydrophobicContact CG1-CG2 4.12Å; I730-F792 HydrophobicContact CD1-CB 3.78Å; I730-F792 HydrophobicContact CD1-CD1 3.26Å; I730-F792 HydrophobicContact CD1-CD2 3.79Å; I730-F792 HydrophobicContact CD1-CE1 3.72Å; I730-F792 HydrophobicContact CD1-CE2 4.22Å; I730-F792 HydrophobicContact CD1-CG 3.3Å; I730-F792 HydrophobicContact CD1-CZ 4.18Å; I730-F895 HydrophobicContact CG2-CE1 4.05Å; I730-F895 HydrophobicContact CG2-CZ 3.7Å; I730-F899 HydrophobicContact CD1-CD2 4.42Å; I730-F899 HydrophobicContact CD1-CE2 3.68Å; I730-F899 HydrophobicContact CD1-CZ 4.06Å; I730-F899 HydrophobicContact CG1-CE2 4.3Å |
| 731 | L | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.4 | -42 | 175.7 | -66.6 | 178.8 | 0 | 0 | 0 | 111.8 | V547 W548 F727 K728 V734 L735 F753 I755 L758 L876 | V547-L731 HydrophobicContact CG1-CD1 4.11Å; V547-L731 HydrophobicContact CG2-CD1 4.35Å; W548-L731 HydrophobicContact CH2-CB 4.43Å; W548-L731 HydrophobicContact CH2-CD1 4.48Å; W548-L731 HydrophobicContact CH2-CD2 4.19Å; W548-L731 HydrophobicContact CZ3-CB 4.44Å; F727-L731 HydrophobicContact CD1-CD1 4.17Å; F727-L731 HydrophobicContact CE1-CD1 3.77Å; F727-L731 HydrophobicContact CE1-CG 4.29Å; F727-L731 HydrophobicContact CE2-CD2 4.12Å; F727-L731 HydrophobicContact CE2-CG 4.24Å; F727-L731 HydrophobicContact CZ-CD1 3.98Å; F727-L731 HydrophobicContact CZ-CD2 3.97Å; F727-L731 HydrophobicContact CZ-CG 4.1Å; F727-L731 WeakPolarHBondContact O-CG 3.39Å; F727-L731 PolarHBondContact O-N 3.16Å; K728-L731 PolarHBondContact O-N 3.32Å; L731-V734 PolarHBondContact O-N 3.47Å; L731-L735 WeakPolarHBondContact O-CB 3.5Å; L731-L735 PolarHBondContact O-N 2.9Å; L731-F753 HydrophobicContact CD2-CE2 4.14Å; L731-F753 HydrophobicContact CD2-CZ 3.79Å; L731-I755 HydrophobicContact CD1-CD1 4.38Å; L731-I755 HydrophobicContact CD2-CD1 4.04Å; L731-L758 HydrophobicContact CD2-CD1 4.07Å; L731-L758 HydrophobicContact CD2-CD2 4.27Å; L731-L876 HydrophobicContact CD1-CD2 4.24Å |
| 732 | E | 96 | Very high | 95.4 | Very high | 16 Ų | 16 | 25.7 Ų | 25.7 | 8% | 0.075 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.1 | -49.3 | 175.9 | -162.5 | 170 | -127.6 | 0 | 0 | 112.3 | L551 H552 E553 L556 K728 R729 I730 L735 L736 | L551-E732 HydrophobicContact CB-CG 4.26Å; L551-E732 HydrophobicContact CD1-CB 4.46Å; L551-E732 HydrophobicContact CD2-CB 3.98Å; L551-E732 HydrophobicContact CD2-CG 4.15Å; H552-E732 PolarHBondContact N-OE1 3Å; E553-E732 HydrophobicContact CB-CG 4.1Å; E553-E732 WeakPolarHBondContact CB-O 3.42Å; L556-E732 HydrophobicContact CD1-CB 3.82Å; L556-E732 HydrophobicContact CD1-CG 3.51Å; L556-E732 HydrophobicContact CG-CG 4Å; K728-E732 WeakPolarHBondContact O-CB 3.49Å; K728-E732 PolarHBondContact O-N 3.06Å; R729-E732 IonicContact CZ-OE2 3.64Å; R729-E732 IonicContact NE-OE2 3.9Å; R729-E732 PolarHBondContact NE-OE2 3.38Å; R729-E732 IonicContact NH2-OE2 3.97Å; R729-E732 WeakPolarHBondContact O-CB 3.41Å; R729-E732 PolarHBondContact O-N 3.19Å; I730-E732 VanDerWaalsContact C-N 3.3Å; I730-E732 PolarHBondContact O-N 3.06Å; E732-L735 WeakPolarHBondContact O-CB 3.44Å; E732-L735 PolarHBondContact O-N 3.49Å; E732-L736 PolarHBondContact O-N 2.68Å; E732-L736 VanDerWaalsContact O-N 3.09Å |
| 733 | L | 95.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -72.2 | -36.7 | 179.4 | -172.7 | 58.2 | 0 | 0 | 0 | 112.4 | L556 L561 R729 I730 L735 L736 L737 L777 L781 | L556-L733 HydrophobicContact CB-CD1 4.41Å; L556-L733 HydrophobicContact CD1-CB 3.95Å; L556-L733 HydrophobicContact CD1-CD1 4.35Å; L561-L733 HydrophobicContact CD2-CD1 4.12Å; R729-L733 PolarHBondContact O-N 3.46Å; I730-L733 PolarHBondContact O-N 3.24Å; L733-L735 VanDerWaalsContact C-N 3.28Å; L733-L735 PolarHBondContact O-N 2.96Å; L733-L736 HydrophobicContact CD1-CB 4.46Å; L733-L736 HydrophobicContact CD1-CD2 4.02Å; L733-L736 PolarHBondContact O-N 2.97Å; L733-L737 HydrophobicContact CD1-CD2 4.44Å; L733-L737 HydrophobicContact CD1-CG 4.21Å; L733-L737 HydrophobicContact CG-CD1 4.12Å; L733-L737 HydrophobicContact CG-CG 4.28Å; L733-L737 VanDerWaalsContact O-CG 3.26Å; L733-L737 WeakPolarHBondContact O-CG 3.48Å; L733-L737 PolarHBondContact O-N 3.29Å; L733-L777 HydrophobicContact CB-CD1 3.98Å; L733-L777 HydrophobicContact CD2-CD1 3.73Å; L733-L777 HydrophobicContact CG-CD1 3.71Å; L733-L781 HydrophobicContact CB-CD2 4.41Å; L733-L781 HydrophobicContact CD2-CD2 3.55Å; L733-L781 HydrophobicContact CD2-CG 3.74Å |
| 734 | V | 96.6 | Very high | 94.7 | Very high | 5 Ų | 5 | 21.1 Ų | 21.1 | 3% | 0.03 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.3 | -39.2 | 172.9 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | I730 L731 L737 G738 F753 F757 L758 L761 L777 | I730-V734 HydrophobicContact CG2-CG2 4.43Å; I730-V734 WeakPolarHBondContact O-CB 3.35Å; I730-V734 VanDerWaalsContact O-CG2 3.28Å; I730-V734 WeakPolarHBondContact O-CG2 3.48Å; I730-V734 PolarHBondContact O-N 3.28Å; L731-V734 PolarHBondContact O-N 3.47Å; V734-L737 PolarHBondContact O-N 3.44Å; V734-G738 PolarHBondContact O-N 3.46Å; V734-F753 HydrophobicContact CB-CE1 4.02Å; V734-F753 HydrophobicContact CB-CZ 3.8Å; V734-F753 HydrophobicContact CG1-CE1 3.64Å; V734-F753 HydrophobicContact CG1-CE2 4.08Å; V734-F753 HydrophobicContact CG1-CZ 3.38Å; V734-F757 HydrophobicContact CG1-CD1 4.37Å; V734-F757 HydrophobicContact CG1-CE1 4.15Å; V734-L758 HydrophobicContact CG1-CD2 4.43Å; V734-L758 HydrophobicContact CG2-CD2 4.36Å; V734-L761 HydrophobicContact CG1-CD2 4.29Å; V734-L761 HydrophobicContact CG2-CD1 3.96Å; V734-L777 HydrophobicContact CG2-CD1 3.85Å; V734-L777 HydrophobicContact CG2-CD2 3.54Å; V734-L777 HydrophobicContact CG2-CG 4.36Å |
| 735 | L | 96 | Very high | 94.3 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63 | -44.2 | 175.5 | -173.1 | 65.5 | 0 | 0 | 0 | 111.6 | W534 W548 L551 E553 L731 E732 L733 N739 A750 F753 | W534-L735 HydrophobicContact CH2-CD1 4.04Å; W548-L735 HydrophobicContact CE3-CD2 4.4Å; L551-L735 HydrophobicContact CD1-CD2 4.04Å; E553-L735 HydrophobicContact CG-CD2 4.25Å; E553-L735 HydrophobicContact CG-CG 4.22Å; L731-L735 WeakPolarHBondContact O-CB 3.5Å; L731-L735 PolarHBondContact O-N 2.9Å; E732-L735 WeakPolarHBondContact O-CB 3.44Å; E732-L735 PolarHBondContact O-N 3.49Å; L733-L735 VanDerWaalsContact C-N 3.28Å; L733-L735 PolarHBondContact O-N 2.96Å; L735-N739 VanDerWaalsContact O-CB 3.23Å; L735-N739 WeakPolarHBondContact O-CB 3.32Å; L735-N739 PolarHBondContact O-N 3.43Å; L735-N739 PolarHBondContact O-ND2 3.06Å; L735-A750 HydrophobicContact CD1-CB 4.39Å; L735-F753 HydrophobicContact CB-CD1 4.48Å; L735-F753 HydrophobicContact CB-CE1 4.12Å; L735-F753 HydrophobicContact CD1-CD1 3.97Å; L735-F753 HydrophobicContact CD1-CE1 4.45Å |
| 736 | L | 94.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.6 | -56.8 | 174 | 174.5 | 60.8 | 0 | 0 | 0 | 111.5 | Y523 E553 L556 E557 L561 E732 L733 G738 N739 Y740 | Y523-L736 WeakPolarHBondContact OH-CD1 3.42Å; E553-L736 HydrophobicContact CB-CB 4Å; E553-L736 HydrophobicContact CG-CB 4.12Å; L556-L736 HydrophobicContact CB-CD2 4.01Å; E557-L736 HydrophobicContact CG-CD1 3.77Å; E557-L736 HydrophobicContact CG-CD2 3.88Å; E557-L736 HydrophobicContact CG-CG 4.47Å; L561-L736 HydrophobicContact CD2-CD2 3.96Å; E732-L736 PolarHBondContact O-N 2.68Å; E732-L736 VanDerWaalsContact O-N 3.09Å; L733-L736 HydrophobicContact CD1-CB 4.46Å; L733-L736 HydrophobicContact CD1-CD2 4.02Å; L733-L736 PolarHBondContact O-N 2.97Å; L736-G738 PolarHBondContact O-N 2.9Å; L736-N739 PolarHBondContact O-N 2.98Å; L736-Y740 PolarHBondContact O-N 2.69Å |
| 737 | L | 94.3 | Very high | 93.5 | Very high | 4 Ų | 4 | 27.9 Ų | 27.9 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.7 | -45.1 | -174.4 | -62.2 | 175.2 | 0 | 0 | 0 | 110.9 | L561 L565 L733 V734 Y740 M741 F776 L777 | L561-L737 HydrophobicContact CD1-CD2 4.39Å; L561-L737 HydrophobicContact CD2-CD2 4.45Å; L561-L737 HydrophobicContact CG-CD2 4.42Å; L565-L737 HydrophobicContact CD1-CD2 4.41Å; L565-L737 HydrophobicContact CD2-CB 4.42Å; L565-L737 HydrophobicContact CD2-CD2 3.81Å; L733-L737 HydrophobicContact CD1-CD2 4.44Å; L733-L737 HydrophobicContact CD1-CG 4.21Å; L733-L737 HydrophobicContact CG-CD1 4.12Å; L733-L737 HydrophobicContact CG-CG 4.28Å; L733-L737 VanDerWaalsContact O-CG 3.26Å; L733-L737 WeakPolarHBondContact O-CG 3.48Å; L733-L737 PolarHBondContact O-N 3.29Å; V734-L737 PolarHBondContact O-N 3.44Å; L737-Y740 PolarHBondContact O-N 2.96Å; L737-M741 WeakPolarHBondContact O-CB 3.48Å; L737-M741 VanDerWaalsContact O-CG 3.24Å; L737-M741 WeakPolarHBondContact O-CG 3.44Å; L737-M741 PolarHBondContact O-N 3.18Å; L737-F776 HydrophobicContact CD1-CD1 4.25Å; L737-F776 HydrophobicContact CD1-CE1 4.42Å; L737-F776 HydrophobicContact CD2-CE1 3.95Å; L737-L777 HydrophobicContact CD1-CB 4.47Å; L737-L777 HydrophobicContact CD1-CD1 3.82Å |
| 738 | G | 93.6 | Very high | 93.2 | Very high | 3 Ų | 3 | 28 Ų | 28 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.9 | -35.5 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | V734 L736 M741 N742 | V734-G738 PolarHBondContact O-N 3.46Å; L736-G738 PolarHBondContact O-N 2.9Å; G738-M741 PolarHBondContact O-N 2.95Å; G738-N742 WeakPolarHBondContact O-CB 3.45Å; G738-N742 PolarHBondContact O-N 3.48Å; G738-N742 PolarHBondContact O-ND2 3.23Å |
| 739 | N | 94.8 | Very high | 92.9 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.011 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.1 | -40.2 | 174.1 | -88.6 | -32.5 | 0 | 0 | 0 | 111.8 | Y523 W534 L735 L736 A743 E749 A750 | Y523-N739 HydrophobicContact CE2-CB 4.35Å; W534-N739 VanDerWaalsContact CH2-N 3.33Å; L735-N739 VanDerWaalsContact O-CB 3.23Å; L735-N739 WeakPolarHBondContact O-CB 3.32Å; L735-N739 PolarHBondContact O-N 3.43Å; L735-N739 PolarHBondContact O-ND2 3.06Å; L736-N739 PolarHBondContact O-N 2.98Å; N739-A743 PolarHBondContact O-N 3.44Å; N739-E749 PolarHBondContact OD1-N 3.35Å; N739-E749 VanDerWaalsContact OD1-N 3.12Å; N739-A750 PolarHBondContact ND2-O 3.18Å; N739-A750 WeakPolarHBondContact OD1-CB 3.45Å; N739-A750 PolarHBondContact OD1-N 2.8Å |
| 740 | Y | 92.5 | Very high | 92.8 | Very high | 22 Ų | 22 | 26.7 Ų | 26.7 | 9% | 0.086 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.7 | -48.5 | 173.3 | -173.7 | -101.1 | 0 | 0 | 0 | 111.6 | Y523 L525 M529 L562 L565 L736 L737 N742 A743 | Y523-Y740 AromaticContact CD1-CD2 3.56Å; Y523-Y740 HydrophobicContact CD1-CD2 3.56Å; Y523-Y740 HydrophobicContact CD1-CE2 4.1Å; Y523-Y740 HydrophobicContact CD2-CD2 4.24Å; Y523-Y740 HydrophobicContact CE1-CD2 4.11Å; Y523-Y740 AromaticContact CG-CD2 3.63Å; Y523-Y740 HydrophobicContact CG-CD2 3.63Å; Y523-Y740 HydrophobicContact CG-CE2 4.36Å; L525-Y740 HydrophobicContact CD2-CD1 4.22Å; L525-Y740 HydrophobicContact CD2-CD2 4.15Å; L525-Y740 HydrophobicContact CD2-CE1 3.83Å; L525-Y740 HydrophobicContact CD2-CE2 3.72Å; L525-Y740 HydrophobicContact CD2-CG 4.37Å; M529-Y740 HydrophobicContact CE-CD1 3.29Å; M529-Y740 HydrophobicContact CE-CE1 3.31Å; M529-Y740 HydrophobicContact CE-CG 4.28Å; M529-Y740 HydrophobicContact SD-CD1 4.35Å; M529-Y740 HydrophobicContact SD-CE1 4.02Å; L562-Y740 HydrophobicContact CB-CD1 4.47Å; L562-Y740 HydrophobicContact CB-CD2 4.46Å; L562-Y740 HydrophobicContact CB-CE1 4.08Å; L562-Y740 HydrophobicContact CB-CE2 4.11Å; L562-Y740 HydrophobicContact CD1-CD2 3.8Å; L562-Y740 HydrophobicContact CD1-CE2 3.92Å; L562-Y740 HydrophobicContact CD1-CG 4.38Å; L562-Y740 HydrophobicContact CD2-CD1 4.06Å; L562-Y740 HydrophobicContact CD2-CD2 4.13Å; L562-Y740 HydrophobicContact CD2-CG 3.85Å; L562-Y740 HydrophobicContact CG-CD2 4.35Å; L562-Y740 HydrophobicContact CG-CE2 4.44Å; L565-Y740 HydrophobicContact CD2-CD1 3.61Å; L565-Y740 HydrophobicContact CD2-CE1 4.27Å; L736-Y740 PolarHBondContact O-N 2.69Å; L737-Y740 PolarHBondContact O-N 2.96Å; Y740-N742 VanDerWaalsContact C-N 3.33Å; Y740-N742 PolarHBondContact O-N 3.2Å; Y740-A743 WeakPolarHBondContact O-CB 3.44Å; Y740-A743 PolarHBondContact O-N 3.32Å |
| 741 | M | 91.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.7 | -42.5 | 176.9 | -71.9 | 177 | 75.8 | 0 | 0 | 112.6 | M529 K530 K531 L565 F569 L737 G738 A743 T764 L773 | M529-M741 HydrophobicContact CE-CB 4.44Å; M529-M741 HydrophobicContact CE-CG 4.15Å; K530-M741 HydrophobicContact CB-CE 4.34Å; K530-M741 VanDerWaalsContact O-CE 3.25Å; K530-M741 WeakPolarHBondContact O-CE 3.44Å; K531-M741 WeakPolarHBondContact CD-O 3.16Å; K531-M741 WeakPolarHBondContact CE-O 3.47Å; K531-M741 PolarHBondContact NZ-O 3Å; L565-M741 HydrophobicContact CD1-SD 4.13Å; L565-M741 HydrophobicContact CD2-CG 4.03Å; F569-M741 HydrophobicContact CB-CE 4.35Å; L737-M741 WeakPolarHBondContact O-CB 3.48Å; L737-M741 VanDerWaalsContact O-CG 3.24Å; L737-M741 WeakPolarHBondContact O-CG 3.44Å; L737-M741 PolarHBondContact O-N 3.18Å; G738-M741 PolarHBondContact O-N 2.95Å; M741-A743 VanDerWaalsContact C-N 3.31Å; M741-A743 PolarHBondContact O-N 3.02Å; M741-T764 HydrophobicContact CE-CG2 4.15Å; M741-L773 HydrophobicContact CE-CD1 4.46Å; M741-L773 HydrophobicContact CE-CD2 4.1Å; M741-L773 HydrophobicContact SD-CD1 3.8Å; M741-L773 HydrophobicContact SD-CD2 3.73Å; M741-L773 HydrophobicContact SD-CG 4.45Å |
| 742 | N | 92.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -79.6 | -6.3 | -179 | -75.3 | -26 | 0 | 0 | 0 | 114.9 | A532 W534 G738 Y740 G744 S745 N747 A748 | A532-N742 PolarHBondContact N-OD1 3.08Å; A532-N742 PolarHBondContact O-ND2 3.1Å; A532-N742 PolarHBondContact O-OD1 3.06Å; W534-N742 PolarHBondContact NE1-ND2 2.89Å; W534-N742 VanDerWaalsContact NE1-ND2 3.13Å; G738-N742 WeakPolarHBondContact O-CB 3.45Å; G738-N742 PolarHBondContact O-N 3.48Å; G738-N742 PolarHBondContact O-ND2 3.23Å; Y740-N742 VanDerWaalsContact C-N 3.33Å; Y740-N742 PolarHBondContact O-N 3.2Å; N742-G744 PolarHBondContact O-N 2.84Å; N742-S745 VanDerWaalsContact O-CB 3.23Å; N742-S745 WeakPolarHBondContact O-CB 3.47Å; N742-S745 PolarHBondContact O-N 3.36Å; N742-S745 PolarHBondContact O-OG 3Å; N742-N747 HydrophobicContact CB-CB 4.17Å; N742-A748 HydrophobicContact CB-CB 4.44Å; N742-A748 WeakPolarHBondContact O-CB 3.49Å |
| 743 | A | 90.2 | Very high | 92.4 | Very high | 9 Ų | 9 | 26.4 Ų | 26.4 | 7% | 0.074 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -44.8 | 137.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L525 K531 N739 Y740 M741 S745 | L525-A743 HydrophobicContact CD1-CB 4.01Å; L525-A743 HydrophobicContact CD2-CB 4.18Å; L525-A743 HydrophobicContact CG-CB 3.84Å; K531-A743 PolarHBondContact NZ-O 3.13Å; N739-A743 PolarHBondContact O-N 3.44Å; Y740-A743 WeakPolarHBondContact O-CB 3.44Å; Y740-A743 PolarHBondContact O-N 3.32Å; M741-A743 VanDerWaalsContact C-N 3.31Å; M741-A743 PolarHBondContact O-N 3.02Å; A743-S745 VanDerWaalsContact C-N 3.26Å; A743-S745 PolarHBondContact O-N 2.8Å |
| 744 | G | 85.5 | Confident | 92.4 | Very high | 89 Ų | 89 | 30.7 Ų | 30.7 | 92% | 0.918 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | -3.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116 | N742 | N742-G744 PolarHBondContact O-N 2.84Š|
| 745 | S | 87.7 | Confident | 92.4 | Very high | 43 Ų | 43 | 30.7 Ų | 30.7 | 30% | 0.301 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -106.2 | 165.2 | 174.8 | 80.9 | 0 | 0 | 0 | 0 | 112.5 | N742 A743 N747 A748 | N742-S745 VanDerWaalsContact O-CB 3.23Å; N742-S745 WeakPolarHBondContact O-CB 3.47Å; N742-S745 PolarHBondContact O-N 3.36Å; N742-S745 PolarHBondContact O-OG 3Å; A743-S745 VanDerWaalsContact C-N 3.26Å; A743-S745 PolarHBondContact O-N 2.8Å; S745-N747 PolarHBondContact O-N 2.91Å; S745-N747 PolarHBondContact OG-N 3.06Å; S745-A748 WeakPolarHBondContact O-CB 3.38Å; S745-A748 PolarHBondContact O-N 3.21Å; S745-A748 VanDerWaalsContact O-N 3.09Å |
| 746 | R | 87.6 | Confident | 92.3 | Very high | 231 Ų | 231 | 32 Ų | 32 | 87% | 0.872 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55 | -21.3 | 171.5 | 173.3 | 173.7 | 151.1 | 150 | -5.8 | 113.7 | K536 | K536-R746 WeakPolarHBondContact CE-O 3.44Å; K536-R746 PolarHBondContact NZ-O 3.47Å |
| 747 | N | 88.9 | Confident | 92.4 | Very high | 44 Ų | 44 | 32.2 Ų | 32.2 | 24% | 0.235 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -3.5 | -178.2 | -71.8 | 6.3 | 0 | 0 | 0 | 114.2 | W534 K536 N742 S745 | W534-N747 PolarHBondContact NE1-O 3.26Å; W534-N747 PolarHBondContact O-ND2 3.36Å; K536-N747 WeakPolarHBondContact CE-O 3.47Å; N742-N747 HydrophobicContact CB-CB 4.17Å; S745-N747 PolarHBondContact O-N 2.91Å; S745-N747 PolarHBondContact OG-N 3.06Å |
| 748 | A | 89.4 | Confident | 92.5 | Very high | 4 Ų | 4 | 32.1 Ų | 32.1 | 3% | 0.033 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -69.7 | 167.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K536 N742 S745 A750 | K536-A748 WeakPolarHBondContact CE-O 3.48Å; K536-A748 PolarHBondContact NZ-O 3.12Å; N742-A748 HydrophobicContact CB-CB 4.44Å; N742-A748 WeakPolarHBondContact O-CB 3.49Å; S745-A748 WeakPolarHBondContact O-CB 3.38Å; S745-A748 PolarHBondContact O-N 3.21Å; S745-A748 VanDerWaalsContact O-N 3.09Å; A748-A750 PolarHBondContact O-N 2.9Å |
| 749 | E | 91.6 | Very high | 92.5 | Very high | 86 Ų | 86 | 33.8 Ų | 33.8 | 40% | 0.402 | 19% | 0.186 | S | C | . | . | S | Bend | trans | 57.1 | 35.2 | 173 | -58.9 | 159.1 | 121.8 | 0 | 0 | 112 | K520 K522 N739 | K520-E749 HydrophobicContact CB-CB 4.43Å; K522-E749 WeakPolarHBondContact CB-OE1 3.44Å; K522-E749 WeakPolarHBondContact CD-OE1 3.23Å; K522-E749 WeakPolarHBondContact CG-OE1 3.32Å; N739-E749 PolarHBondContact OD1-N 3.35Å; N739-E749 VanDerWaalsContact OD1-N 3.12Å |
| 750 | A | 93.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | trans | -74.6 | 137.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | W534 K536 L735 N739 A748 | W534-A750 HydrophobicContact CZ2-CB 3.71Å; K536-A750 HydrophobicContact CD-CB 4.32Å; K536-A750 HydrophobicContact CG-CB 3.84Å; L735-A750 HydrophobicContact CD1-CB 4.39Å; N739-A750 PolarHBondContact ND2-O 3.18Å; N739-A750 WeakPolarHBondContact OD1-CB 3.45Å; N739-A750 PolarHBondContact OD1-N 2.8Å; A748-A750 PolarHBondContact O-N 2.9Å | ||
| 751 | I | 92.7 | Very high | 92.7 | Very high | 10 Ų | 10 | 37.3 Ų | 37.3 | 5% | 0.051 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -84.3 | -19.7 | 173.8 | 64 | -173.3 | 0 | 0 | 0 | 113 | L513 M517 K520 P539 L542 | L513-I751 HydrophobicContact CD1-CG2 4.33Å; L513-I751 HydrophobicContact CD2-CG2 4.35Å; M517-I751 HydrophobicContact CE-CB 4.17Å; K520-I751 HydrophobicContact CG-CG2 4.05Å; P539-I751 HydrophobicContact CB-CD1 4.16Å; P539-I751 HydrophobicContact CG-CD1 3.83Å; L542-I751 HydrophobicContact CD1-CD1 3.75Å; L542-I751 HydrophobicContact CD1-CG1 4.45Å |
| 752 | G | 94.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -176.7 | 167.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | I537 | I537-G752 PolarHBondContact N-O 2.76Š| ||
| 753 | F | 96.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -135.9 | 153 | -176.5 | 59.6 | -96 | 0 | 0 | 0 | 111.8 | W534 E535 I537 W548 L731 V734 L735 I755 F757 L758 | W534-F753 HydrophobicContact CB-CB 4.12Å; W534-F753 HydrophobicContact CD2-CB 3.92Å; W534-F753 HydrophobicContact CD2-CG 4.44Å; W534-F753 HydrophobicContact CE3-CB 3.75Å; W534-F753 AromaticContact CE3-CD1 3.75Å; W534-F753 HydrophobicContact CE3-CD1 3.75Å; W534-F753 AromaticContact CE3-CG 3.76Å; W534-F753 HydrophobicContact CE3-CG 3.76Å; W534-F753 HydrophobicContact CG-CB 4.12Å; W534-F753 HydrophobicContact CH2-CD1 4.36Å; W534-F753 HydrophobicContact CZ3-CB 4.35Å; W534-F753 AromaticContact CZ3-CD1 3.57Å; W534-F753 HydrophobicContact CZ3-CD1 3.57Å; W534-F753 HydrophobicContact CZ3-CE1 4.16Å; W534-F753 HydrophobicContact CZ3-CG 4.1Å; E535-F753 VanDerWaalsContact O-CA 3.27Å; E535-F753 WeakPolarHBondContact O-CA 3.42Å; I537-F753 WeakPolarHBondContact CD1-O 3.27Å; W548-F753 AromaticContact CH2-CD1 3.69Å; W548-F753 HydrophobicContact CH2-CD1 3.69Å; W548-F753 HydrophobicContact CH2-CD2 4.1Å; W548-F753 AromaticContact CH2-CE1 3.57Å; W548-F753 HydrophobicContact CH2-CE1 3.57Å; W548-F753 HydrophobicContact CH2-CE2 4.01Å; W548-F753 AromaticContact CH2-CG 3.94Å; W548-F753 HydrophobicContact CH2-CG 3.94Å; W548-F753 AromaticContact CH2-CZ 3.74Å; W548-F753 HydrophobicContact CH2-CZ 3.74Å; W548-F753 WeakPolarHBondContact CZ2-O 3.22Å; W548-F753 AromaticContact CZ3-CD1 3.78Å; W548-F753 HydrophobicContact CZ3-CD1 3.78Å; W548-F753 AromaticContact CZ3-CE1 3.65Å; W548-F753 HydrophobicContact CZ3-CE1 3.65Å; W548-F753 HydrophobicContact CZ3-CG 4.44Å; W548-F753 HydrophobicContact CZ3-CZ 4.23Å; L731-F753 HydrophobicContact CD2-CE2 4.14Å; L731-F753 HydrophobicContact CD2-CZ 3.79Å; V734-F753 HydrophobicContact CB-CE1 4.02Å; V734-F753 HydrophobicContact CB-CZ 3.8Å; V734-F753 HydrophobicContact CG1-CE1 3.64Å; V734-F753 HydrophobicContact CG1-CE2 4.08Å; V734-F753 HydrophobicContact CG1-CZ 3.38Å; L735-F753 HydrophobicContact CB-CD1 4.48Å; L735-F753 HydrophobicContact CB-CE1 4.12Å; L735-F753 HydrophobicContact CD1-CD1 3.97Å; L735-F753 HydrophobicContact CD1-CE1 4.45Å; F753-I755 PolarHBondContact O-N 3.4Å; F753-F757 HydrophobicContact CD2-CB 4.09Å; F753-F757 HydrophobicContact CD2-CD1 4.06Å; F753-F757 HydrophobicContact CE2-CD1 4.26Å; F753-L758 HydrophobicContact CE2-CD2 3.88Å; F753-L758 HydrophobicContact CE2-CG 4.26Å; F753-L758 HydrophobicContact CZ-CD2 4.15Å |
| 754 | E | 95.3 | Very high | 92.5 | Very high | 90 Ų | 90 | 45.3 Ų | 45.3 | 42% | 0.421 | 25% | 0.253 | S | S | . | . | trans | -62.8 | 132.4 | 175.7 | -68.4 | -168.7 | 164.9 | 0 | 0 | 112 | E535 S756 F757 | E535-E754 HydrophobicContact CB-CB 4.48Å; E535-E754 HydrophobicContact CB-CG 3.97Å; E535-E754 PolarHBondContact O-N 3.26Å; E535-E754 VanDerWaalsContact O-N 3.08Å; E754-S756 PolarHBondContact O-N 3.25Å; E754-S756 VanDerWaalsContact O-N 3.15Å; E754-F757 VanDerWaalsContact O-CB 3.22Å; E754-F757 WeakPolarHBondContact O-CB 3.27Å; E754-F757 PolarHBondContact O-N 2.96Å | ||
| 755 | I | 96.4 | Very high | 92.7 | Very high | 6 Ų | 6 | 45.5 Ų | 45.5 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -58.7 | -31.4 | -172.6 | -59.2 | -63.7 | 0 | 0 | 0 | 112.8 | W548 L731 F753 F757 L758 L876 Y883 L888 L892 | W548-I755 HydrophobicContact CZ2-CD1 3.92Å; L731-I755 HydrophobicContact CD1-CD1 4.38Å; L731-I755 HydrophobicContact CD2-CD1 4.04Å; F753-I755 PolarHBondContact O-N 3.4Å; I755-F757 PolarHBondContact O-N 2.92Å; I755-L758 HydrophobicContact CG2-CD1 4.09Å; I755-L758 WeakPolarHBondContact O-CB 3.1Å; I755-L758 VanDerWaalsContact O-CG 3.32Å; I755-L758 WeakPolarHBondContact O-CG 3.48Å; I755-L758 PolarHBondContact O-N 3.48Å; I755-L876 HydrophobicContact CD1-CB 4.3Å; I755-L876 HydrophobicContact CD1-CD1 4.17Å; I755-L876 HydrophobicContact CD1-CD2 4.22Å; I755-L876 HydrophobicContact CD1-CG 4.46Å; I755-L876 HydrophobicContact CG1-CB 4.13Å; I755-L876 HydrophobicContact CG1-CD1 4.02Å; I755-Y883 HydrophobicContact CB-CE1 4.48Å; I755-L888 HydrophobicContact CG2-CD1 4.35Å; I755-L892 HydrophobicContact CG2-CD2 3.62Å; I755-L892 HydrophobicContact CG2-CG 4.2Å |
| 756 | S | 94.2 | Very high | 92.8 | Very high | 26 Ų | 26 | 44 Ų | 44 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -58.5 | -11.6 | 172.5 | 67.7 | 0 | 0 | 0 | 0 | 114.5 | E754 L758 T759 D891 | E754-S756 PolarHBondContact O-N 3.25Å; E754-S756 VanDerWaalsContact O-N 3.15Å; S756-L758 VanDerWaalsContact C-N 3.31Å; S756-T759 PolarHBondContact O-OG1 3.47Å; S756-D891 VanDerWaalsContact CA-OD2 3.27Å; S756-D891 WeakPolarHBondContact CA-OD2 3.48Å; S756-D891 WeakPolarHBondContact CB-OD2 3.45Å |
| 757 | F | 96.1 | Very high | 92.7 | Very high | 5 Ų | 5 | 34.9 Ų | 34.9 | 2% | 0.022 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -70.3 | -24.5 | 170 | 177.5 | -105.5 | 0 | 0 | 0 | 113.1 | A532 W534 V734 F753 E754 I755 T759 K760 L761 | A532-F757 HydrophobicContact CB-CE1 4.42Å; A532-F757 HydrophobicContact CB-CE2 4.21Å; A532-F757 HydrophobicContact CB-CZ 3.64Å; W534-F757 HydrophobicContact CB-CB 4.14Å; W534-F757 HydrophobicContact CB-CD1 4.13Å; W534-F757 HydrophobicContact CB-CD2 3.62Å; W534-F757 HydrophobicContact CB-CE2 4.08Å; W534-F757 HydrophobicContact CB-CG 3.66Å; W534-F757 AromaticContact CE3-CD1 3.98Å; W534-F757 HydrophobicContact CE3-CD1 3.98Å; W534-F757 AromaticContact CE3-CE1 3.86Å; W534-F757 HydrophobicContact CE3-CE1 3.86Å; W534-F757 HydrophobicContact CE3-CZ 4.44Å; V734-F757 HydrophobicContact CG1-CD1 4.37Å; V734-F757 HydrophobicContact CG1-CE1 4.15Å; F753-F757 HydrophobicContact CD2-CB 4.09Å; F753-F757 HydrophobicContact CD2-CD1 4.06Å; F753-F757 HydrophobicContact CE2-CD1 4.26Å; E754-F757 VanDerWaalsContact O-CB 3.22Å; E754-F757 WeakPolarHBondContact O-CB 3.27Å; E754-F757 PolarHBondContact O-N 2.96Å; I755-F757 PolarHBondContact O-N 2.92Å; F757-T759 VanDerWaalsContact C-N 3.29Å; F757-T759 PolarHBondContact O-N 2.88Å; F757-K760 HydrophobicContact CD2-CB 4.19Å; F757-K760 HydrophobicContact CD2-CD 4.12Å; F757-K760 HydrophobicContact CE2-CB 4.27Å; F757-K760 WeakPolarHBondContact O-CB 3.39Å; F757-K760 PolarHBondContact O-N 2.72Å; F757-L761 HydrophobicContact CE1-CD2 3.81Å; F757-L761 HydrophobicContact CZ-CD2 4.23Å |
| 758 | L | 97.1 | Very high | 92.4 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -60.8 | -36.8 | -176.7 | -67.2 | 178.7 | 0 | 0 | 0 | 112.7 | F727 L731 V734 F753 I755 S756 K760 L761 L892 F895 | F727-L758 HydrophobicContact CE2-CD1 3.74Å; F727-L758 HydrophobicContact CZ-CD1 4.09Å; L731-L758 HydrophobicContact CD2-CD1 4.07Å; L731-L758 HydrophobicContact CD2-CD2 4.27Å; V734-L758 HydrophobicContact CG1-CD2 4.43Å; V734-L758 HydrophobicContact CG2-CD2 4.36Å; F753-L758 HydrophobicContact CE2-CD2 3.88Å; F753-L758 HydrophobicContact CE2-CG 4.26Å; F753-L758 HydrophobicContact CZ-CD2 4.15Å; I755-L758 HydrophobicContact CG2-CD1 4.09Å; I755-L758 WeakPolarHBondContact O-CB 3.1Å; I755-L758 VanDerWaalsContact O-CG 3.32Å; I755-L758 WeakPolarHBondContact O-CG 3.48Å; I755-L758 PolarHBondContact O-N 3.48Å; S756-L758 VanDerWaalsContact C-N 3.31Å; L758-K760 PolarHBondContact O-N 3.2Å; L758-L761 HydrophobicContact CD2-CD1 3.89Å; L758-L761 WeakPolarHBondContact O-CB 3.36Å; L758-L761 WeakPolarHBondContact O-CG 3.26Å; L758-L761 PolarHBondContact O-N 3.21Å; L758-L892 HydrophobicContact CD1-CD2 4.09Å; L758-F895 HydrophobicContact CB-CB 4Å; L758-F895 HydrophobicContact CB-CD1 4.31Å; L758-F895 HydrophobicContact CB-CD2 3.72Å; L758-F895 HydrophobicContact CB-CE2 4.3Å; L758-F895 HydrophobicContact CB-CG 3.73Å; L758-F895 HydrophobicContact CD1-CD1 3.95Å; L758-F895 HydrophobicContact CD1-CE1 4.19Å; L758-F895 HydrophobicContact CD1-CG 4.22Å; L758-F895 HydrophobicContact CD2-CE2 4.4Å; L758-F895 HydrophobicContact CD2-CZ 4.45Å |
| 759 | T | 94.7 | Very high | 92.2 | Very high | 39 Ų | 39 | 39.2 Ų | 39.2 | 24% | 0.239 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -62.6 | -20.9 | 174.6 | 61.3 | 0 | 0 | 0 | 0 | 113 | S756 F757 D891 D894 | S756-T759 PolarHBondContact O-OG1 3.47Å; F757-T759 VanDerWaalsContact C-N 3.29Å; F757-T759 PolarHBondContact O-N 2.88Å; T759-D891 HydrophobicContact CG2-CB 4.04Å; T759-D891 VanDerWaalsContact CG2-O 3.3Å; T759-D891 WeakPolarHBondContact CG2-O 3.28Å; T759-D891 WeakPolarHBondContact CG2-OD1 3.32Å; T759-D894 HydrophobicContact CG2-CB 4Å |
| 760 | K | 95 | Very high | 91.8 | Very high | 95 Ų | 95 | 39.1 Ų | 39.1 | 41% | 0.413 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -87.8 | -5.8 | -178.9 | -56.5 | 170.3 | -172.5 | 159.7 | 0 | 113.3 | F757 L758 E762 A763 | F757-K760 HydrophobicContact CD2-CB 4.19Å; F757-K760 HydrophobicContact CD2-CD 4.12Å; F757-K760 HydrophobicContact CE2-CB 4.27Å; F757-K760 WeakPolarHBondContact O-CB 3.39Å; F757-K760 PolarHBondContact O-N 2.72Å; L758-K760 PolarHBondContact O-N 3.2Å; K760-E762 VanDerWaalsContact C-N 3.26Å; K760-E762 PolarHBondContact O-N 2.89Å; K760-A763 PolarHBondContact O-N 3.39Å |
| 761 | L | 95.5 | Very high | 91.7 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -65.3 | -27.5 | 178.7 | -67.8 | 172.4 | 0 | 0 | 0 | 112.8 | V734 F757 L758 L773 L774 L777 F895 | V734-L761 HydrophobicContact CG1-CD2 4.29Å; V734-L761 HydrophobicContact CG2-CD1 3.96Å; F757-L761 HydrophobicContact CE1-CD2 3.81Å; F757-L761 HydrophobicContact CZ-CD2 4.23Å; L758-L761 HydrophobicContact CD2-CD1 3.89Å; L758-L761 WeakPolarHBondContact O-CB 3.36Å; L758-L761 WeakPolarHBondContact O-CG 3.26Å; L758-L761 PolarHBondContact O-N 3.21Å; L761-L773 HydrophobicContact CD2-CD2 3.84Å; L761-L773 HydrophobicContact CD2-CG 4.19Å; L761-L773 PolarHBondContact O-N 3.19Å; L761-L774 HydrophobicContact CB-CB 4Å; L761-L774 HydrophobicContact CD1-CD1 4.48Å; L761-L774 PolarHBondContact O-N 3.12Å; L761-L777 HydrophobicContact CD1-CD2 4.13Å; L761-F895 HydrophobicContact CD1-CD2 4.39Å; L761-F895 HydrophobicContact CD1-CE2 3.79Å |
| 762 | E | 91.9 | Very high | 91.8 | Very high | 71 Ų | 71 | 40.9 Ų | 40.9 | 33% | 0.332 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -23.2 | 174.4 | 60.8 | 167.3 | -137.3 | 0 | 0 | 114.3 | K760 T764 T772 A898 R901 | K760-E762 VanDerWaalsContact C-N 3.26Å; K760-E762 PolarHBondContact O-N 2.89Å; E762-T764 VanDerWaalsContact C-N 3.29Å; E762-T764 PolarHBondContact O-N 3.34Å; E762-T772 HydrophobicContact CB-CG2 4.45Å; E762-T772 WeakPolarHBondContact O-CG2 3.39Å; E762-A898 VanDerWaalsContact OE2-CB 3.3Å; E762-A898 WeakPolarHBondContact OE2-CB 3.34Å; E762-R901 IonicContact OE1-NH2 3.78Å; E762-R901 PolarHBondContact OE1-NH2 3.05Å; E762-R901 IonicContact OE2-CZ 2.68Å; E762-R901 IonicContact OE2-NH2 2.67Å; E762-R901 PolarHBondContact OE2-NH2 3.04Å |
| 763 | A | 89.2 | Confident | 91.9 | Very high | 81 Ų | 81 | 41.1 Ų | 41.1 | 67% | 0.669 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -25.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K760 K765 | K760-A763 PolarHBondContact O-N 3.39Å; A763-K765 PolarHBondContact O-N 3.08Å |
| 764 | T | 90.7 | Very high | 91.9 | Very high | 25 Ų | 25 | 41.1 Ų | 41.1 | 15% | 0.153 | 23% | 0.234 | C | C | . | . | trans | -84.9 | 92.6 | -179.5 | -56.8 | 0 | 0 | 0 | 0 | 110.3 | K530 F569 M741 E762 T772 L773 | K530-T764 HydrophobicContact CB-CG2 4.38Å; K530-T764 HydrophobicContact CD-CG2 4.49Å; F569-T764 HydrophobicContact CD1-CG2 4.13Å; F569-T764 HydrophobicContact CE1-CG2 4.39Å; M741-T764 HydrophobicContact CE-CG2 4.15Å; E762-T764 VanDerWaalsContact C-N 3.29Å; E762-T764 PolarHBondContact O-N 3.34Å; T764-T772 CarbonylContact O-C 3.58Å; T764-T772 WeakPolarHBondContact O-CA 3.41Å; T764-L773 HydrophobicContact CG2-CB 4.15Å; T764-L773 HydrophobicContact CG2-CD2 4.38Å; T764-L773 PolarHBondContact O-N 3.26Å | ||
| 765 | K | 89.6 | Confident | 91.9 | Very high | 93 Ų | 93 | 38 Ų | 38 | 40% | 0.404 | 22% | 0.219 | S | C | . | . | B | Isolated β-bridge | trans | -78 | 158.6 | 175.7 | -63.8 | -172.6 | 175.8 | -169.3 | 0 | 112.9 | K530 A763 N769 Q771 T772 | K530-K765 WeakPolarHBondContact CD-O 3.18Å; K530-K765 PolarHBondContact NZ-O 3.49Å; A763-K765 PolarHBondContact O-N 3.08Å; K765-N769 WeakPolarHBondContact CD-OD1 3.41Å; K765-Q771 CarbonylContact C-O 3.47Å; K765-Q771 WeakPolarHBondContact CA-O 3.45Å; K765-T772 HydrophobicContact CG-CG2 4.3Å |
| 766 | D | 88.2 | Confident | 91.8 | Very high | 11 Ų | 11 | 38.3 Ų | 38.3 | 6% | 0.059 | 22% | 0.22 | C | C | . | . | trans | -73.4 | -172.9 | 175.1 | 85.5 | -60.3 | 0 | 0 | 0 | 112.3 | K530 Q568 F569 S768 N769 S770 Q771 | K530-D766 PolarHBondContact NZ-O 3.25Å; Q568-D766 HydrophobicContact CB-CB 4.45Å; Q568-D766 CarbonylContact O-C 3.33Å; Q568-D766 VanDerWaalsContact O-CA 3.29Å; Q568-D766 WeakPolarHBondContact O-CA 3.24Å; Q568-D766 WeakPolarHBondContact O-CB 3.16Å; F569-D766 HydrophobicContact CD1-CB 4.46Å; F569-D766 HydrophobicContact CE1-CB 3.99Å; F569-D766 HydrophobicContact CE2-CB 4.37Å; F569-D766 HydrophobicContact CZ-CB 3.93Å; D766-S768 VanDerWaalsContact CG-OG 3.26Å; D766-S768 PolarHBondContact OD1-OG 3.06Å; D766-S768 WeakPolarHBondContact OD2-CA 3.34Å; D766-S768 VanDerWaalsContact OD2-CB 3.29Å; D766-S768 WeakPolarHBondContact OD2-CB 3.45Å; D766-S768 PolarHBondContact OD2-N 3Å; D766-S768 PolarHBondContact OD2-OG 3.32Å; D766-N769 WeakPolarHBondContact OD1-CA 3.48Å; D766-N769 PolarHBondContact OD1-N 3.34Å; D766-S770 PolarHBondContact OD1-N 2.96Å; D766-Q771 PolarHBondContact N-O 3.24Å; D766-Q771 PolarHBondContact OD1-N 3.18Å | ||
| 767 | V | 86.6 | Confident | 91.9 | Very high | 41 Ų | 41 | 37.1 Ų | 37.1 | 25% | 0.248 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -71.2 | -32.2 | 176.3 | -72.1 | 0 | 0 | 0 | 0 | 113.2 | Q568 S570 A574 N769 | Q568-V767 WeakPolarHBondContact O-CG1 3.32Å; Q568-V767 PolarHBondContact O-N 3.46Å; S570-V767 WeakPolarHBondContact O-CG1 3.44Å; A574-V767 VanDerWaalsContact CB-O 3.26Å; A574-V767 WeakPolarHBondContact CB-O 3.46Å; V767-N769 VanDerWaalsContact C-N 3.3Å |
| 768 | S | 83.5 | Confident | 92 | Very high | 65 Ų | 65 | 37 Ų | 37 | 46% | 0.455 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -83.6 | -6.1 | 178.5 | 71.3 | 0 | 0 | 0 | 0 | 113.5 | D766 S770 | D766-S768 VanDerWaalsContact CG-OG 3.26Å; D766-S768 PolarHBondContact OD1-OG 3.06Å; D766-S768 WeakPolarHBondContact OD2-CA 3.34Å; D766-S768 VanDerWaalsContact OD2-CB 3.29Å; D766-S768 WeakPolarHBondContact OD2-CB 3.45Å; D766-S768 PolarHBondContact OD2-N 3Å; D766-S768 PolarHBondContact OD2-OG 3.32Å; S768-S770 PolarHBondContact O-N 3.1Å; S768-S770 WeakPolarHBondContact OG-CB 3.42Å; S768-S770 PolarHBondContact OG-OG 3.17Å |
| 769 | N | 83.4 | Confident | 91.8 | Very high | 74 Ų | 74 | 37.7 Ų | 37.7 | 40% | 0.396 | 22% | 0.218 | S | C | . | . | S | Bend | trans | 61.9 | 19.7 | -176.4 | -163.2 | 54.8 | 0 | 0 | 0 | 113.5 | K765 D766 V767 | K765-N769 WeakPolarHBondContact CD-OD1 3.41Å; D766-N769 WeakPolarHBondContact OD1-CA 3.48Å; D766-N769 PolarHBondContact OD1-N 3.34Å; V767-N769 VanDerWaalsContact C-N 3.3Å |
| 770 | S | 84.8 | Confident | 91.7 | Very high | 84 Ų | 84 | 35.9 Ų | 35.9 | 59% | 0.587 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -100.6 | -26.6 | -175.7 | 71.6 | 0 | 0 | 0 | 0 | 113.7 | D766 S768 | D766-S770 PolarHBondContact OD1-N 2.96Å; S768-S770 PolarHBondContact O-N 3.1Å; S768-S770 WeakPolarHBondContact OG-CB 3.42Å; S768-S770 PolarHBondContact OG-OG 3.17Å |
| 771 | Q | 90.9 | Very high | 91.7 | Very high | 32 Ų | 32 | 31.3 Ų | 31.3 | 15% | 0.15 | 19% | 0.188 | C | C | . | . | trans | -134.3 | 159.6 | -178.6 | -70.8 | -166.1 | -20.7 | 0 | 0 | 111.3 | K765 D766 H775 | K765-Q771 CarbonylContact C-O 3.47Å; K765-Q771 WeakPolarHBondContact CA-O 3.45Å; D766-Q771 PolarHBondContact N-O 3.24Å; D766-Q771 PolarHBondContact OD1-N 3.18Å; Q771-H775 HydrophobicContact CB-CB 3.98Å; Q771-H775 HydrophobicContact CG-CB 4.31Å | ||
| 772 | T | 94.9 | Very high | 91.6 | Very high | 15 Ų | 15 | 34.2 Ų | 34.2 | 9% | 0.092 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | -107.2 | 166.8 | 179.2 | 70.3 | 0 | 0 | 0 | 0 | 111.3 | E762 T764 K765 L774 H775 F776 | E762-T772 HydrophobicContact CB-CG2 4.45Å; E762-T772 WeakPolarHBondContact O-CG2 3.39Å; T764-T772 CarbonylContact O-C 3.58Å; T764-T772 WeakPolarHBondContact O-CA 3.41Å; K765-T772 HydrophobicContact CG-CG2 4.3Å; T772-L774 PolarHBondContact O-N 2.99Å; T772-L774 WeakPolarHBondContact OG1-CB 3.3Å; T772-L774 PolarHBondContact OG1-N 2.91Å; T772-H775 WeakPolarHBondContact O-CA 3.4Å; T772-H775 WeakPolarHBondContact O-CB 3.43Å; T772-H775 PolarHBondContact O-N 3.42Å; T772-H775 PolarHBondContact OG1-N 3.48Å; T772-H775 PolarHBondContact OG1-ND1 3.3Å; T772-F776 PolarHBondContact O-N 3.34Å |
| 773 | L | 95 | Very high | 91.5 | Very high | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.8 | -29.7 | 173 | -176.4 | 61.4 | 0 | 0 | 0 | 111.2 | L565 F569 M741 L761 T764 F776 L777 | L565-L773 HydrophobicContact CD1-CD1 3.88Å; F569-L773 HydrophobicContact CE1-CB 4.07Å; F569-L773 HydrophobicContact CE1-CD1 4.49Å; F569-L773 HydrophobicContact CZ-CB 4.35Å; F569-L773 HydrophobicContact CZ-CD1 4.39Å; M741-L773 HydrophobicContact CE-CD1 4.46Å; M741-L773 HydrophobicContact CE-CD2 4.1Å; M741-L773 HydrophobicContact SD-CD1 3.8Å; M741-L773 HydrophobicContact SD-CD2 3.73Å; M741-L773 HydrophobicContact SD-CG 4.45Å; L761-L773 HydrophobicContact CD2-CD2 3.84Å; L761-L773 HydrophobicContact CD2-CG 4.19Å; L761-L773 PolarHBondContact O-N 3.19Å; T764-L773 HydrophobicContact CG2-CB 4.15Å; T764-L773 HydrophobicContact CG2-CD2 4.38Å; T764-L773 PolarHBondContact O-N 3.26Å; L773-F776 PolarHBondContact O-N 2.9Å; L773-L777 VanDerWaalsContact O-CB 3.29Å; L773-L777 WeakPolarHBondContact O-CB 3.32Å; L773-L777 PolarHBondContact O-N 3.35Å |
| 774 | L | 96.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.8 | -42.5 | 169.9 | -174.1 | 53 | 0 | 0 | 0 | 112.9 | L761 T772 L777 I778 F895 A898 F899 | L761-L774 HydrophobicContact CB-CB 4Å; L761-L774 HydrophobicContact CD1-CD1 4.48Å; L761-L774 PolarHBondContact O-N 3.12Å; T772-L774 PolarHBondContact O-N 2.99Å; T772-L774 WeakPolarHBondContact OG1-CB 3.3Å; T772-L774 PolarHBondContact OG1-N 2.91Å; L774-L777 HydrophobicContact CD1-CD2 4.1Å; L774-L777 WeakPolarHBondContact O-CB 3.26Å; L774-L777 PolarHBondContact O-N 2.91Å; L774-I778 HydrophobicContact CD1-CD1 3.98Å; L774-I778 HydrophobicContact CD1-CG1 4.29Å; L774-I778 HydrophobicContact CG-CD1 3.98Å; L774-I778 WeakPolarHBondContact O-CD1 3.32Å; L774-I778 VanDerWaalsContact O-CG1 3.28Å; L774-I778 WeakPolarHBondContact O-CG1 3.17Å; L774-I778 PolarHBondContact O-N 3.44Å; L774-F895 HydrophobicContact CD1-CE2 3.75Å; L774-F895 HydrophobicContact CD1-CZ 4.49Å; L774-A898 HydrophobicContact CD2-CB 3.65Å; L774-F899 HydrophobicContact CD1-CD2 4.09Å |
| 775 | H | 95.7 | Very high | 91.7 | Very high | 24 Ų | 24 | 38.2 Ų | 38.2 | 11% | 0.111 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.7 | -43.2 | 172.8 | -70.8 | 72.3 | 0 | 0 | 0 | 111.3 | Q771 T772 L777 I778 G779 S902 L906 | Q771-H775 HydrophobicContact CB-CB 3.98Å; Q771-H775 HydrophobicContact CG-CB 4.31Å; T772-H775 WeakPolarHBondContact O-CA 3.4Å; T772-H775 WeakPolarHBondContact O-CB 3.43Å; T772-H775 PolarHBondContact O-N 3.42Å; T772-H775 PolarHBondContact OG1-N 3.48Å; T772-H775 PolarHBondContact OG1-ND1 3.3Å; H775-L777 PolarHBondContact O-N 3.36Å; H775-I778 PolarHBondContact O-N 2.86Å; H775-G779 PolarHBondContact O-N 3.44Å; H775-S902 PolarHBondContact CE1-OG 2.86Å; H775-L906 WeakPolarHBondContact O-CD1 3.44Å |
| 776 | F | 95.1 | Very high | 91.8 | Very high | 13 Ų | 13 | 36.2 Ų | 36.2 | 6% | 0.057 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.6 | -41 | 177.2 | -177.3 | -89.7 | 0 | 0 | 0 | 112.3 | L561 N564 L565 F569 L737 T772 L773 S780 | L561-F776 HydrophobicContact CD1-CE1 3.98Å; L561-F776 HydrophobicContact CD1-CZ 4.05Å; N564-F776 HydrophobicContact CB-CE2 4.04Å; N564-F776 HydrophobicContact CB-CZ 4.26Å; L565-F776 HydrophobicContact CB-CE1 3.82Å; L565-F776 HydrophobicContact CB-CE2 4.4Å; L565-F776 HydrophobicContact CB-CZ 3.65Å; L565-F776 HydrophobicContact CD1-CD1 3.74Å; L565-F776 HydrophobicContact CD1-CE1 3.66Å; L565-F776 HydrophobicContact CD1-CG 4.39Å; L565-F776 HydrophobicContact CD1-CZ 4.22Å; L565-F776 HydrophobicContact CG-CE1 4.28Å; F569-F776 HydrophobicContact CE2-CB 3.65Å; F569-F776 AromaticContact CE2-CD2 3.97Å; F569-F776 HydrophobicContact CE2-CD2 3.97Å; F569-F776 AromaticContact CE2-CG 3.81Å; F569-F776 HydrophobicContact CE2-CG 3.81Å; F569-F776 HydrophobicContact CZ-CB 3.88Å; L737-F776 HydrophobicContact CD1-CD1 4.25Å; L737-F776 HydrophobicContact CD1-CE1 4.42Å; L737-F776 HydrophobicContact CD2-CE1 3.95Å; T772-F776 PolarHBondContact O-N 3.34Å; L773-F776 PolarHBondContact O-N 2.9Å; F776-S780 WeakPolarHBondContact CE1-OG 3.22Å; F776-S780 VanDerWaalsContact O-CB 3.23Å; F776-S780 WeakPolarHBondContact O-CB 3.44Å; F776-S780 PolarHBondContact O-N 3.04Å; F776-S780 PolarHBondContact O-OG 3.01Å |
| 777 | L | 96.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.6 | -53.2 | 174.5 | 176.5 | 71.4 | 0 | 0 | 0 | 110.6 | I730 L733 V734 L737 L761 L773 L774 H775 S780 L781 | I730-L777 HydrophobicContact CG2-CD2 4.39Å; L733-L777 HydrophobicContact CB-CD1 3.98Å; L733-L777 HydrophobicContact CD2-CD1 3.73Å; L733-L777 HydrophobicContact CG-CD1 3.71Å; V734-L777 HydrophobicContact CG2-CD1 3.85Å; V734-L777 HydrophobicContact CG2-CD2 3.54Å; V734-L777 HydrophobicContact CG2-CG 4.36Å; L737-L777 HydrophobicContact CD1-CB 4.47Å; L737-L777 HydrophobicContact CD1-CD1 3.82Å; L761-L777 HydrophobicContact CD1-CD2 4.13Å; L773-L777 VanDerWaalsContact O-CB 3.29Å; L773-L777 WeakPolarHBondContact O-CB 3.32Å; L773-L777 PolarHBondContact O-N 3.35Å; L774-L777 HydrophobicContact CD1-CD2 4.1Å; L774-L777 WeakPolarHBondContact O-CB 3.26Å; L774-L777 PolarHBondContact O-N 2.91Å; H775-L777 PolarHBondContact O-N 3.36Å; L777-S780 WeakPolarHBondContact O-CB 3.36Å; L777-S780 PolarHBondContact O-N 3.25Å; L777-S780 VanDerWaalsContact O-N 3.13Å; L777-L781 HydrophobicContact CD1-CD1 4.41Å; L777-L781 HydrophobicContact CG-CD1 4.16Å; L777-L781 WeakPolarHBondContact O-CG 3.49Å; L777-L781 PolarHBondContact O-N 2.95Å |
| 778 | I | 96.8 | Very high | 92.5 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.015 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.9 | -47.1 | -179.1 | -65.2 | 162.3 | 0 | 0 | 0 | 110.9 | L774 H775 S780 L781 D782 V789 F899 A903 L906 | L774-I778 HydrophobicContact CD1-CD1 3.98Å; L774-I778 HydrophobicContact CD1-CG1 4.29Å; L774-I778 HydrophobicContact CG-CD1 3.98Å; L774-I778 WeakPolarHBondContact O-CD1 3.32Å; L774-I778 VanDerWaalsContact O-CG1 3.28Å; L774-I778 WeakPolarHBondContact O-CG1 3.17Å; L774-I778 PolarHBondContact O-N 3.44Å; H775-I778 PolarHBondContact O-N 2.86Å; I778-S780 PolarHBondContact O-N 3.14Å; I778-L781 PolarHBondContact O-N 3.33Å; I778-L781 VanDerWaalsContact O-N 3.13Å; I778-D782 WeakPolarHBondContact O-CB 3.38Å; I778-D782 PolarHBondContact O-N 3.06Å; I778-V789 HydrophobicContact CG2-CG1 3.91Å; I778-V789 HydrophobicContact CG2-CG2 4.28Å; I778-F899 HydrophobicContact CD1-CD1 4.28Å; I778-F899 HydrophobicContact CD1-CD2 3.9Å; I778-F899 HydrophobicContact CD1-CE1 4.47Å; I778-F899 HydrophobicContact CD1-CE2 4.12Å; I778-F899 HydrophobicContact CD1-CG 3.99Å; I778-F899 HydrophobicContact CD1-CZ 4.4Å; I778-F899 HydrophobicContact CG1-CD2 3.84Å; I778-F899 HydrophobicContact CG1-CE1 4.33Å; I778-F899 HydrophobicContact CG1-CE2 3.56Å; I778-F899 HydrophobicContact CG1-CG 4.34Å; I778-F899 HydrophobicContact CG1-CZ 3.83Å; I778-A903 HydrophobicContact CD1-CB 4.39Å; I778-A903 HydrophobicContact CG2-CB 4.15Å; I778-L906 HydrophobicContact CB-CD1 3.77Å; I778-L906 HydrophobicContact CG2-CD1 3.63Å |
| 779 | G | 93.6 | Very high | 93.1 | Very high | 15 Ų | 15 | 35.6 Ų | 35.6 | 16% | 0.155 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.1 | -15.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | H775 R783 | H775-G779 PolarHBondContact O-N 3.44Å; G779-R783 PolarHBondContact O-NH1 3.42Å; G779-R783 PolarHBondContact O-NH2 2.87Å |
| 780 | S | 93.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.007 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -87.4 | -35.9 | 170.6 | -61.5 | 0 | 0 | 0 | 0 | 112 | Y558 L561 F776 L777 I778 | Y558-S780 PolarHBondContact OH-O 2.72Å; L561-S780 WeakPolarHBondContact CD1-OG 3.42Å; F776-S780 WeakPolarHBondContact CE1-OG 3.22Å; F776-S780 VanDerWaalsContact O-CB 3.23Å; F776-S780 WeakPolarHBondContact O-CB 3.44Å; F776-S780 PolarHBondContact O-N 3.04Å; F776-S780 PolarHBondContact O-OG 3.01Å; L777-S780 WeakPolarHBondContact O-CB 3.36Å; L777-S780 PolarHBondContact O-N 3.25Å; L777-S780 VanDerWaalsContact O-N 3.13Å; I778-S780 PolarHBondContact O-N 3.14Å |
| 781 | L | 94.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65 | -51.9 | 170.4 | -69.3 | 167.8 | 0 | 0 | 0 | 110.2 | R729 I730 L733 L777 I778 R783 K784 F785 T788 V789 F899 | R729-L781 HydrophobicContact CG-CD2 4.16Å; I730-L781 HydrophobicContact CG1-CD1 3.69Å; L733-L781 HydrophobicContact CB-CD2 4.41Å; L733-L781 HydrophobicContact CD2-CD2 3.55Å; L733-L781 HydrophobicContact CD2-CG 3.74Å; L777-L781 HydrophobicContact CD1-CD1 4.41Å; L777-L781 HydrophobicContact CG-CD1 4.16Å; L777-L781 WeakPolarHBondContact O-CG 3.49Å; L777-L781 PolarHBondContact O-N 2.95Å; I778-L781 PolarHBondContact O-N 3.33Å; I778-L781 VanDerWaalsContact O-N 3.13Å; L781-R783 PolarHBondContact O-N 2.85Å; L781-K784 PolarHBondContact O-N 3.33Å; L781-K784 VanDerWaalsContact O-N 3.07Å; L781-F785 HydrophobicContact CD2-CD2 4.28Å; L781-F785 CarbonylContact O-C 3.43Å; L781-F785 VanDerWaalsContact O-CA 3.23Å; L781-F785 WeakPolarHBondContact O-CA 3.41Å; L781-F785 PolarHBondContact O-N 3.36Å; L781-T788 HydrophobicContact CD1-CG2 4.39Å; L781-T788 HydrophobicContact CD2-CG2 4.07Å; L781-V789 HydrophobicContact CB-CG2 3.39Å; L781-F899 HydrophobicContact CD1-CE2 4.39Å |
| 782 | D | 92.5 | Very high | 94.2 | Very high | 63 Ų | 63 | 34.1 Ų | 34.1 | 34% | 0.337 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -56.4 | -31.3 | -176.8 | -163.8 | 44.7 | 0 | 0 | 0 | 113 | I778 P786 V789 | I778-D782 WeakPolarHBondContact O-CB 3.38Å; I778-D782 PolarHBondContact O-N 3.06Å; D782-P786 WeakPolarHBondContact O-CB 3.44Å; D782-V789 HydrophobicContact CB-CG2 4.03Å |
| 783 | R | 90.5 | Very high | 94.1 | Very high | 156 Ų | 156 | 35.9 Ų | 35.9 | 59% | 0.589 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -73.7 | -32.2 | 179.2 | -168.4 | -178.9 | -60.7 | 99.6 | 7.1 | 114.9 | G779 L781 | G779-R783 PolarHBondContact O-NH1 3.42Å; G779-R783 PolarHBondContact O-NH2 2.87Å; L781-R783 PolarHBondContact O-N 2.85Å |
| 784 | K | 90.8 | Very high | 93.9 | Very high | 76 Ų | 76 | 41.2 Ų | 41.2 | 33% | 0.33 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -119.9 | -24.7 | -174.1 | -174 | 175.4 | 173.1 | -168.9 | 0 | 113.5 | Y558 L781 | Y558-K784 HydrophobicContact CD1-CD 3.21Å; Y558-K784 HydrophobicContact CD1-CG 4.46Å; Y558-K784 HydrophobicContact CD2-CD 4.12Å; Y558-K784 HydrophobicContact CE1-CB 4.05Å; Y558-K784 HydrophobicContact CE1-CD 3.49Å; Y558-K784 VanDerWaalsContact CE1-CD 3.49Å; Y558-K784 HydrophobicContact CE1-CG 4.39Å; Y558-K784 HydrophobicContact CE2-CB 4.3Å; Y558-K784 HydrophobicContact CE2-CD 4.36Å; Y558-K784 HydrophobicContact CG-CD 3.56Å; L781-K784 PolarHBondContact O-N 3.33Å; L781-K784 VanDerWaalsContact O-N 3.07Å |
| 785 | F | 92.3 | Very high | 93.8 | Very high | 29 Ų | 29 | 43 Ų | 43 | 13% | 0.127 | 21% | 0.213 | C | C | . | . | trans | -141.7 | 54.1 | -171.6 | -55.5 | -59.2 | 0 | 0 | 0 | 110.9 | L556 R729 L781 E787 T788 V789 | L556-F785 HydrophobicContact CD2-CE2 3.84Å; L556-F785 HydrophobicContact CD2-CZ 3.71Å; R729-F785 VanDerWaalsContact NH1-CD1 3.3Å; L781-F785 HydrophobicContact CD2-CD2 4.28Å; L781-F785 CarbonylContact O-C 3.43Å; L781-F785 VanDerWaalsContact O-CA 3.23Å; L781-F785 WeakPolarHBondContact O-CA 3.41Å; L781-F785 PolarHBondContact O-N 3.36Å; F785-E787 WeakPolarHBondContact CA-OE1 3.27Å; F785-E787 WeakPolarHBondContact CA-OE2 3.45Å; F785-E787 VanDerWaalsContact CB-OE1 3.31Å; F785-E787 WeakPolarHBondContact CB-OE1 3.41Å; F785-E787 PolarHBondContact O-N 3.19Å; F785-T788 WeakPolarHBondContact O-CA 3.19Å; F785-T788 VanDerWaalsContact O-CB 3.25Å; F785-T788 WeakPolarHBondContact O-CB 3.5Å; F785-T788 PolarHBondContact O-N 3.23Å; F785-V789 PolarHBondContact O-N 2.84Å | ||
| 786 | P | 92.6 | Very high | 93.7 | Very high | 51 Ų | 51 | 42 Ų | 42 | 33% | 0.331 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.2 | -26.4 | -178.6 | 25.6 | -34.7 | 0 | 0 | 0 | 113.1 | D782 T788 V789 K790 | D782-P786 WeakPolarHBondContact O-CB 3.44Å; P786-T788 VanDerWaalsContact C-N 3.26Å; P786-T788 PolarHBondContact O-N 3.32Å; P786-V789 PolarHBondContact O-N 3.46Å; P786-K790 WeakPolarHBondContact O-CG 3.35Å; P786-K790 PolarHBondContact O-N 3.09Å |
| 787 | E | 93.8 | Very high | 93.4 | Very high | 91 Ų | 91 | 44.6 Ų | 44.6 | 43% | 0.425 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.1 | -31.3 | 171.6 | 78.1 | -55.7 | 138.5 | 0 | 0 | 112.4 | F785 G791 | F785-E787 WeakPolarHBondContact CA-OE1 3.27Å; F785-E787 WeakPolarHBondContact CA-OE2 3.45Å; F785-E787 VanDerWaalsContact CB-OE1 3.31Å; F785-E787 WeakPolarHBondContact CB-OE1 3.41Å; F785-E787 PolarHBondContact O-N 3.19Å; E787-G791 PolarHBondContact O-N 3.4Å |
| 788 | T | 95.9 | Very high | 93.3 | Very high | 4 Ų | 4 | 45 Ų | 45 | 3% | 0.025 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.9 | -41.8 | 175.3 | -62.1 | 0 | 0 | 0 | 0 | 111.3 | H726 R729 I730 L781 F785 P786 F792 | H726-T788 HydrophobicContact CB-CG2 4.04Å; R729-T788 HydrophobicContact CB-CG2 3.95Å; R729-T788 HydrophobicContact CG-CG2 3.78Å; I730-T788 HydrophobicContact CD1-CG2 4.49Å; I730-T788 HydrophobicContact CG1-CG2 4.12Å; L781-T788 HydrophobicContact CD1-CG2 4.39Å; L781-T788 HydrophobicContact CD2-CG2 4.07Å; F785-T788 WeakPolarHBondContact O-CA 3.19Å; F785-T788 VanDerWaalsContact O-CB 3.25Å; F785-T788 WeakPolarHBondContact O-CB 3.5Å; F785-T788 PolarHBondContact O-N 3.23Å; P786-T788 VanDerWaalsContact C-N 3.26Å; P786-T788 PolarHBondContact O-N 3.32Å; T788-F792 VanDerWaalsContact O-CB 3.22Å; T788-F792 WeakPolarHBondContact O-CB 3.28Å; T788-F792 PolarHBondContact O-N 2.9Å; T788-F792 VanDerWaalsContact O-N 3.12Å |
| 789 | V | 95.4 | Very high | 93.2 | Very high | 10 Ų | 10 | 45 Ų | 45 | 6% | 0.061 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.1 | -50.1 | 176.3 | -179 | 0 | 0 | 0 | 0 | 110.6 | I778 L781 D782 F785 P786 L793 F899 | I778-V789 HydrophobicContact CG2-CG1 3.91Å; I778-V789 HydrophobicContact CG2-CG2 4.28Å; L781-V789 HydrophobicContact CB-CG2 3.39Å; D782-V789 HydrophobicContact CB-CG2 4.03Å; F785-V789 PolarHBondContact O-N 2.84Å; P786-V789 PolarHBondContact O-N 3.46Å; V789-L793 WeakPolarHBondContact O-CG 2.81Å; V789-F899 HydrophobicContact CG1-CE1 4.23Å; V789-F899 HydrophobicContact CG1-CZ 4.36Å |
| 790 | K | 92.9 | Very high | 93.1 | Very high | 142 Ų | 142 | 48.3 Ų | 48.3 | 62% | 0.617 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -63.3 | -49.9 | -177.9 | -69.4 | 177.7 | -178.4 | -176.3 | 0 | 112.1 | P786 F792 L793 | P786-K790 WeakPolarHBondContact O-CG 3.35Å; P786-K790 PolarHBondContact O-N 3.09Å; K790-F792 PolarHBondContact O-N 3.43Å; K790-L793 PolarHBondContact O-N 3.11Å |
| 791 | G | 93 | Very high | 93 | Very high | 17 Ų | 17 | 51.9 Ų | 51.9 | 18% | 0.175 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64 | -39.9 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | E787 L793 D794 D795 | E787-G791 PolarHBondContact O-N 3.4Å; G791-L793 PolarHBondContact O-N 3.34Å; G791-D794 PolarHBondContact O-N 2.91Å; G791-D794 VanDerWaalsContact O-N 3.13Å; G791-D795 PolarHBondContact O-N 2.86Å; G791-D795 VanDerWaalsContact O-N 3.11Å |
| 792 | F | 96.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.2 | -21.2 | -178.9 | -170.2 | -114.7 | 0 | 0 | 0 | 113.9 | H726 F727 I730 T788 K790 D794 D795 F796 F895 H896 F899 | H726-F792 HydrophobicContact CB-CB 3.86Å; H726-F792 HydrophobicContact CB-CD2 4.39Å; F727-F792 HydrophobicContact CB-CD2 4.21Å; F727-F792 HydrophobicContact CB-CE2 3.83Å; F727-F792 AromaticContact CD2-CE2 3.82Å; F727-F792 HydrophobicContact CD2-CE2 3.82Å; F727-F792 HydrophobicContact CD2-CZ 4.01Å; F727-F792 HydrophobicContact CG-CE2 4.22Å; I730-F792 HydrophobicContact CD1-CB 3.78Å; I730-F792 HydrophobicContact CD1-CD1 3.26Å; I730-F792 HydrophobicContact CD1-CD2 3.79Å; I730-F792 HydrophobicContact CD1-CE1 3.72Å; I730-F792 HydrophobicContact CD1-CE2 4.22Å; I730-F792 HydrophobicContact CD1-CG 3.3Å; I730-F792 HydrophobicContact CD1-CZ 4.18Å; T788-F792 VanDerWaalsContact O-CB 3.22Å; T788-F792 WeakPolarHBondContact O-CB 3.28Å; T788-F792 PolarHBondContact O-N 2.9Å; T788-F792 VanDerWaalsContact O-N 3.12Å; K790-F792 PolarHBondContact O-N 3.43Å; F792-D794 PolarHBondContact O-N 3.03Å; F792-D795 HydrophobicContact CD2-CB 4.09Å; F792-F796 HydrophobicContact CE2-CD1 4.31Å; F792-F796 AromaticContact CE2-CD2 4Å; F792-F796 HydrophobicContact CE2-CD2 4Å; F792-F796 HydrophobicContact CE2-CE1 4.07Å; F792-F796 AromaticContact CE2-CE2 3.73Å; F792-F796 HydrophobicContact CE2-CE2 3.73Å; F792-F796 HydrophobicContact CE2-CG 4.29Å; F792-F796 AromaticContact CE2-CZ 3.78Å; F792-F796 HydrophobicContact CE2-CZ 3.78Å; F792-F796 AromaticContact CZ-CD2 3.94Å; F792-F796 HydrophobicContact CZ-CD2 3.94Å; F792-F796 AromaticContact CZ-CE2 3.73Å; F792-F796 HydrophobicContact CZ-CE2 3.73Å; F792-F796 HydrophobicContact CZ-CZ 4.22Å; F792-F895 HydrophobicContact CE1-CD1 4.18Å; F792-F895 AromaticContact CE1-CE1 3.55Å; F792-F895 HydrophobicContact CE1-CE1 3.55Å; F792-F895 HydrophobicContact CE1-CZ 4.27Å; F792-F895 HydrophobicContact CZ-CD1 4.07Å; F792-F895 AromaticContact CZ-CE1 3.63Å; F792-F895 HydrophobicContact CZ-CE1 3.63Å; F792-H896 AromaticContact CE1-CD2 3.68Å; F792-H896 AromaticContact CZ-CD2 3.83Å; F792-H896 PolarHBondContact O-CD2 3.09Å; F792-H896 PolarHBondContact O-NE2 3.19Å; F792-F899 HydrophobicContact CB-CE1 4.42Å; F792-F899 HydrophobicContact CB-CZ 4.41Å; F792-F899 AromaticContact CD1-CD1 3.78Å; F792-F899 HydrophobicContact CD1-CD1 3.78Å; F792-F899 AromaticContact CD1-CD2 3.85Å; F792-F899 HydrophobicContact CD1-CD2 3.85Å; F792-F899 AromaticContact CD1-CE1 3.77Å; F792-F899 HydrophobicContact CD1-CE1 3.77Å; F792-F899 AromaticContact CD1-CE2 3.83Å; F792-F899 HydrophobicContact CD1-CE2 3.83Å; F792-F899 AromaticContact CD1-CG 3.83Å; F792-F899 HydrophobicContact CD1-CG 3.83Å; F792-F899 AromaticContact CD1-CZ 3.79Å; F792-F899 HydrophobicContact CD1-CZ 3.79Å; F792-F899 HydrophobicContact CE1-CB 4.3Å; F792-F899 HydrophobicContact CE1-CD1 4.32Å; F792-F899 AromaticContact CE1-CD2 3.94Å; F792-F899 HydrophobicContact CE1-CD2 3.94Å; F792-F899 HydrophobicContact CE1-CE2 4.31Å; F792-F899 AromaticContact CE1-CG 3.95Å; F792-F899 HydrophobicContact CE1-CG 3.95Å |
| 793 | L | 93.2 | Very high | 92.9 | Very high | 52 Ų | 52 | 50.2 Ų | 50.2 | 27% | 0.272 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.7 | -32.7 | 174.4 | -64.3 | 171.1 | 0 | 0 | 0 | 112.1 | V789 K790 G791 H896 F899 K900 A903 | V789-L793 WeakPolarHBondContact O-CG 2.81Å; K790-L793 PolarHBondContact O-N 3.11Å; G791-L793 PolarHBondContact O-N 3.34Å; L793-H896 PolarHBondContact O-CE1 3.37Å; L793-H896 PolarHBondContact O-NE2 3.36Å; L793-F899 HydrophobicContact CD2-CD1 4.01Å; L793-F899 HydrophobicContact CD2-CE1 4.15Å; L793-K900 HydrophobicContact CD2-CB 4.36Å; L793-K900 HydrophobicContact CD2-CG 3.76Å; L793-K900 WeakPolarHBondContact O-CE 3.28Å; L793-K900 PolarHBondContact O-NZ 3.21Å; L793-A903 HydrophobicContact CD2-CB 4.13Å |
| 794 | D | 90.7 | Very high | 93 | Very high | 117 Ų | 117 | 51.5 Ų | 51.5 | 63% | 0.626 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -100.8 | -24.9 | -175.5 | -55.7 | -36.8 | 0 | 0 | 0 | 112.7 | G791 F792 F796 S797 | G791-D794 PolarHBondContact O-N 2.91Å; G791-D794 VanDerWaalsContact O-N 3.13Å; F792-D794 PolarHBondContact O-N 3.03Å; D794-F796 VanDerWaalsContact C-N 3.28Å; D794-F796 PolarHBondContact O-N 3.39Å; D794-F796 VanDerWaalsContact O-N 3.13Å; D794-S797 PolarHBondContact O-OG 3.01Å |
| 795 | D | 93 | Very high | 93.1 | Very high | 38 Ų | 38 | 48.5 Ų | 48.5 | 20% | 0.203 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -52.6 | -35.4 | -174 | -86.6 | 4.3 | 0 | 0 | 0 | 115.5 | E720 S724 H726 G791 F792 | E720-D795 WeakPolarHBondContact CB-O 3.33Å; E720-D795 WeakPolarHBondContact CG-O 3.2Å; S724-D795 WeakPolarHBondContact CB-OD2 3.38Å; S724-D795 PolarHBondContact OG-OD2 3.1Å; H726-D795 WeakPolarHBondContact CB-OD2 3.07Å; H726-D795 IonicContact CE1-OD1 3.39Å; H726-D795 PolarHBondContact CE1-OD1 3.2Å; H726-D795 IonicContact CE1-OD2 3.23Å; H726-D795 IonicContact CG-OD2 2.7Å; H726-D795 IonicContact ND1-OD1 2.65Å; H726-D795 PolarHBondContact ND1-OD1 2.89Å; H726-D795 IonicContact ND1-OD2 2.85Å; H726-D795 PolarHBondContact ND1-OD2 3.03Å; G791-D795 PolarHBondContact O-N 2.86Å; G791-D795 VanDerWaalsContact O-N 3.11Å; F792-D795 HydrophobicContact CD2-CB 4.09Å |
| 796 | F | 94.3 | Very high | 93.2 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.018 | 25% | 0.25 | C | S | . | . | trans | -108 | 71.9 | -177.9 | -70.4 | -2.9 | 0 | 0 | 0 | 110 | E720 I721 F727 F792 D794 V799 L892 H896 | E720-F796 HydrophobicContact CB-CD1 4.07Å; E720-F796 HydrophobicContact CB-CE1 4.49Å; E720-F796 WeakPolarHBondContact OE2-CA 3.08Å; I721-F796 HydrophobicContact CG1-CE1 4.11Å; I721-F796 HydrophobicContact CG1-CZ 4.12Å; F727-F796 HydrophobicContact CB-CE1 4.4Å; F727-F796 HydrophobicContact CB-CZ 4.13Å; F727-F796 HydrophobicContact CD1-CZ 4.01Å; F727-F796 HydrophobicContact CD2-CE2 4.17Å; F727-F796 AromaticContact CD2-CZ 3.75Å; F727-F796 HydrophobicContact CD2-CZ 3.75Å; F727-F796 HydrophobicContact CE1-CZ 4.36Å; F727-F796 HydrophobicContact CE2-CE2 4.32Å; F727-F796 HydrophobicContact CE2-CZ 4.13Å; F727-F796 HydrophobicContact CG-CE1 4.39Å; F727-F796 AromaticContact CG-CZ 3.7Å; F727-F796 HydrophobicContact CG-CZ 3.7Å; F727-F796 HydrophobicContact CZ-CZ 4.43Å; F792-F796 HydrophobicContact CE2-CD1 4.31Å; F792-F796 AromaticContact CE2-CD2 4Å; F792-F796 HydrophobicContact CE2-CD2 4Å; F792-F796 HydrophobicContact CE2-CE1 4.07Å; F792-F796 AromaticContact CE2-CE2 3.73Å; F792-F796 HydrophobicContact CE2-CE2 3.73Å; F792-F796 HydrophobicContact CE2-CG 4.29Å; F792-F796 AromaticContact CE2-CZ 3.78Å; F792-F796 HydrophobicContact CE2-CZ 3.78Å; F792-F796 AromaticContact CZ-CD2 3.94Å; F792-F796 HydrophobicContact CZ-CD2 3.94Å; F792-F796 AromaticContact CZ-CE2 3.73Å; F792-F796 HydrophobicContact CZ-CE2 3.73Å; F792-F796 HydrophobicContact CZ-CZ 4.22Å; D794-F796 VanDerWaalsContact C-N 3.28Å; D794-F796 PolarHBondContact O-N 3.39Å; D794-F796 VanDerWaalsContact O-N 3.13Å; F796-V799 HydrophobicContact CB-CB 4.12Å; F796-V799 HydrophobicContact CB-CG2 3.73Å; F796-V799 HydrophobicContact CD1-CG2 4.17Å; F796-V799 HydrophobicContact CD2-CG2 4.07Å; F796-V799 HydrophobicContact CG-CG2 3.75Å; F796-L892 HydrophobicContact CE2-CB 4.17Å; F796-L892 HydrophobicContact CE2-CD1 4.34Å; F796-L892 HydrophobicContact CE2-CD2 4.17Å; F796-L892 HydrophobicContact CE2-CG 4.48Å; F796-H896 HydrophobicContact CD2-CB 4.25Å; F796-H896 PolarHBondContact O-CE1 3.43Å | ||
| 797 | S | 88.9 | Confident | 93 | Very high | 66 Ų | 66 | 48.7 Ų | 48.7 | 46% | 0.462 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -86.1 | -30.3 | 179 | -70.2 | 0 | 0 | 0 | 0 | 112.2 | E720 D794 | E720-S797 WeakPolarHBondContact OE1-CA 3.28Å; E720-S797 WeakPolarHBondContact OE1-CB 3.35Å; E720-S797 PolarHBondContact OE1-N 3.13Å; E720-S797 PolarHBondContact OE2-N 3.47Å; D794-S797 PolarHBondContact O-OG 3.01Å |
| 798 | H | 94.4 | Very high | 92.8 | Very high | 11 Ų | 11 | 49.4 Ų | 49.4 | 5% | 0.051 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -93.9 | -24.7 | -177.6 | -64.1 | 77.4 | 0 | 0 | 0 | 113.3 | L403 D713 E716 A717 E720 E800 R801 A802 | L403-H798 WeakPolarHBondContact CD1-NE2 3.13Å; D713-H798 IonicContact OD1-CD2 3.23Å; D713-H798 PolarHBondContact OD1-CD2 3.01Å; E716-H798 HydrophobicContact CB-CB 4.27Å; A717-H798 HydrophobicContact CB-CB 3.88Å; E720-H798 IonicContact OE1-CE1 3.79Å; E720-H798 IonicContact OE1-CG 2.91Å; E720-H798 PolarHBondContact OE1-N 3.17Å; E720-H798 IonicContact OE1-ND1 3.55Å; E720-H798 PolarHBondContact OE1-ND1 3.34Å; E720-H798 PolarHBondContact OE2-N 3.32Å; H798-E800 VanDerWaalsContact C-N 3.26Å; H798-E800 PolarHBondContact O-N 3Å; H798-E800 VanDerWaalsContact O-N 3.13Å; H798-R801 PolarHBondContact CD2-NH2 2.85Å; H798-R801 VanDerWaalsContact CD2-NH2 3.27Å; H798-R801 PolarHBondContact NE2-NH2 2.89Å; H798-R801 VanDerWaalsContact NE2-NH2 3.19Å; H798-R801 PolarHBondContact O-N 2.98Å; H798-A802 WeakPolarHBondContact O-CB 3.45Å; H798-A802 PolarHBondContact O-N 3.41Å |
| 799 | V | 95.4 | Very high | 92.7 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -52.3 | -38.1 | -177.1 | 178.6 | 0 | 0 | 0 | 0 | 113.4 | A717 E720 I721 F796 C803 F889 L892 K893 | A717-V799 HydrophobicContact CB-CG2 4.12Å; E720-V799 PolarHBondContact OE2-N 3.49Å; I721-V799 HydrophobicContact CG1-CG2 4.48Å; F796-V799 HydrophobicContact CB-CB 4.12Å; F796-V799 HydrophobicContact CB-CG2 3.73Å; F796-V799 HydrophobicContact CD1-CG2 4.17Å; F796-V799 HydrophobicContact CD2-CG2 4.07Å; F796-V799 HydrophobicContact CG-CG2 3.75Å; V799-C803 WeakPolarHBondContact O-CB 3.35Å; V799-C803 PolarHBondContact O-N 2.91Å; V799-F889 HydrophobicContact CG1-CB 4.29Å; V799-F889 HydrophobicContact CG1-CD1 4.3Å; V799-F889 WeakPolarHBondContact CG1-O 3.25Å; V799-L892 HydrophobicContact CG1-CB 4Å; V799-K893 HydrophobicContact CG1-CB 4.21Å |
| 800 | E | 89.9 | Confident | 92.6 | Very high | 84 Ų | 84 | 50.9 Ų | 50.9 | 39% | 0.393 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -70.8 | -31 | 177.4 | 174.9 | 160.4 | -156.7 | 0 | 0 | 113.7 | H798 C803 R804 K893 | H798-E800 VanDerWaalsContact C-N 3.26Å; H798-E800 PolarHBondContact O-N 3Å; H798-E800 VanDerWaalsContact O-N 3.13Å; E800-C803 PolarHBondContact O-SG 3.22Å; E800-R804 IonicContact OE1-NH2 3.45Å; E800-K893 HydrophobicContact CB-CD 4.27Å; E800-K893 HydrophobicContact CB-CG 4.31Å; E800-K893 HydrophobicContact CG-CD 4.06Å; E800-K893 WeakPolarHBondContact OE1-CE 3.46Å; E800-K893 IonicContact OE1-NZ 3.53Å; E800-K893 PolarHBondContact OE1-NZ 2.9Å |
| 801 | R | 91.4 | Very high | 92.6 | Very high | 77 Ų | 77 | 47.6 Ų | 47.6 | 29% | 0.291 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -75.2 | -48.2 | 173.4 | -59.1 | -163.5 | -73.2 | -148 | 1.9 | 109.8 | D400 D713 H798 C803 R804 | D400-R801 VanDerWaalsContact CG-NH1 3.32Å; D400-R801 IonicContact OD1-CZ 2.71Å; D400-R801 IonicContact OD1-NH1 3.24Å; D400-R801 PolarHBondContact OD1-NH1 3.14Å; D400-R801 IonicContact OD1-NH2 3.62Å; D400-R801 PolarHBondContact OD1-NH2 2.98Å; D400-R801 IonicContact OD2-CZ 3.28Å; D400-R801 IonicContact OD2-NH1 2.73Å; D400-R801 PolarHBondContact OD2-NH1 2.91Å; D400-R801 IonicContact OD2-NH2 2.63Å; D713-R801 HydrophobicContact CB-CB 4.05Å; D713-R801 VanDerWaalsContact CG-CB 3.43Å; D713-R801 IonicContact OD1-CZ 2.68Å; D713-R801 VanDerWaalsContact OD1-CZ 3.31Å; D713-R801 IonicContact OD1-NE 3.78Å; D713-R801 PolarHBondContact OD1-NE 3.45Å; D713-R801 IonicContact OD1-NH2 2.81Å; D713-R801 PolarHBondContact OD1-NH2 3.42Å; D713-R801 VanDerWaalsContact OD2-CB 3.3Å; D713-R801 WeakPolarHBondContact OD2-CB 3.37Å; D713-R801 IonicContact OD2-NE 3.92Å; H798-R801 PolarHBondContact CD2-NH2 2.85Å; H798-R801 VanDerWaalsContact CD2-NH2 3.27Å; H798-R801 PolarHBondContact NE2-NH2 2.89Å; H798-R801 VanDerWaalsContact NE2-NH2 3.19Å; H798-R801 PolarHBondContact O-N 2.98Å; R801-C803 VanDerWaalsContact C-N 3.28Å; R801-C803 PolarHBondContact O-N 3.13Å; R801-R804 WeakPolarHBondContact O-CB 3.39Å; R801-R804 PolarHBondContact O-N 2.87Å |
| 802 | A | 94.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.8 | -33.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V714 A717 H798 R804 V805 F889 | V714-A802 HydrophobicContact CG2-CB 4.1Å; A717-A802 HydrophobicContact CB-CB 3.66Å; H798-A802 WeakPolarHBondContact O-CB 3.45Å; H798-A802 PolarHBondContact O-N 3.41Å; A802-R804 PolarHBondContact O-N 3.33Å; A802-R804 VanDerWaalsContact O-N 3.09Å; A802-V805 WeakPolarHBondContact O-CB 3.27Å; A802-V805 PolarHBondContact O-N 2.88Å; A802-V805 VanDerWaalsContact O-N 3.12Å; A802-F889 HydrophobicContact CB-CD1 4.23Å; A802-F889 HydrophobicContact CB-CD2 3.77Å; A802-F889 HydrophobicContact CB-CE1 4.28Å; A802-F889 HydrophobicContact CB-CE2 3.84Å; A802-F889 HydrophobicContact CB-CG 3.99Å; A802-F889 HydrophobicContact CB-CZ 4.1Å |
| 803 | C | 92.5 | Very high | 92.6 | Very high | 27 Ų | 27 | 50.4 Ų | 50.4 | 18% | 0.182 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -13.8 | 177.2 | 83.9 | 0 | 0 | 0 | 0 | 114.8 | V799 E800 R801 F889 K893 | V799-C803 WeakPolarHBondContact O-CB 3.35Å; V799-C803 PolarHBondContact O-N 2.91Å; E800-C803 PolarHBondContact O-SG 3.22Å; R801-C803 VanDerWaalsContact C-N 3.28Å; R801-C803 PolarHBondContact O-N 3.13Å; C803-F889 HydrophobicContact CB-CB 3.71Å; C803-K893 HydrophobicContact CB-CD 4.4Å; C803-K893 VanDerWaalsContact SG-CD 3.51Å |
| 804 | R | 91.7 | Very high | 92.7 | Very high | 184 Ų | 184 | 48.5 Ų | 48.5 | 69% | 0.694 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -13.6 | 178.5 | -52.1 | -176.4 | -171.1 | -146.9 | 1.2 | 112.7 | E800 R801 A802 | E800-R804 IonicContact OE1-NH2 3.45Å; R801-R804 WeakPolarHBondContact O-CB 3.39Å; R801-R804 PolarHBondContact O-N 2.87Å; A802-R804 PolarHBondContact O-N 3.33Å; A802-R804 VanDerWaalsContact O-N 3.09Å |
| 805 | V | 93.6 | Very high | 92.9 | Very high | 12 Ų | 12 | 45.7 Ų | 45.7 | 7% | 0.073 | 25% | 0.247 | C | C | . | . | trans | -80 | 133.8 | -178.5 | 179.7 | 0 | 0 | 0 | 0 | 109.2 | E710 V714 A802 L810 E886 | E710-V805 HydrophobicContact CB-CG1 3.85Å; E710-V805 HydrophobicContact CB-CG2 3.88Å; E710-V805 HydrophobicContact CG-CG1 4.4Å; E710-V805 HydrophobicContact CG-CG2 4.03Å; V714-V805 HydrophobicContact CG2-CB 3.78Å; V714-V805 HydrophobicContact CG2-CG1 3.76Å; V714-V805 HydrophobicContact CG2-CG2 4.03Å; A802-V805 WeakPolarHBondContact O-CB 3.27Å; A802-V805 PolarHBondContact O-N 2.88Å; A802-V805 VanDerWaalsContact O-N 3.12Å; V805-L810 HydrophobicContact CG1-CD1 3.58Å; V805-L810 HydrophobicContact CG1-CG 4Å; V805-E886 WeakPolarHBondContact O-CG 3.49Å | ||
| 806 | S | 93 | Very high | 92.9 | Very high | 49 Ų | 49 | 49.6 Ų | 49.6 | 34% | 0.343 | 27% | 0.265 | S | S | . | . | trans | -105 | 124.9 | 175.7 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | D808 S809 L810 E886 | S806-D808 VanDerWaalsContact C-N 3.26Å; S806-D808 PolarHBondContact O-N 3.19Å; S806-S809 WeakPolarHBondContact O-CB 3.39Å; S806-S809 PolarHBondContact O-N 2.86Å; S806-S809 PolarHBondContact OG-N 2.63Å; S806-L810 PolarHBondContact O-N 2.89Å; S806-E886 WeakPolarHBondContact CA-OE1 3.44Å | ||
| 807 | E | 88.9 | Confident | 93 | Very high | 35 Ų | 35 | 49.6 Ų | 49.6 | 16% | 0.164 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.6 | -36.5 | 179.7 | -159.2 | -161.5 | 173.7 | 0 | 0 | 111.5 | L810 K811 Q866 M885 E886 | E807-L810 PolarHBondContact O-N 2.84Å; E807-K811 HydrophobicContact CG-CD 4.45Å; E807-K811 WeakPolarHBondContact O-CB 3.26Å; E807-K811 VanDerWaalsContact O-CG 3.24Å; E807-K811 WeakPolarHBondContact O-CG 3.39Å; E807-K811 PolarHBondContact O-N 2.81Å; E807-K811 WeakPolarHBondContact OE1-CE 3.35Å; E807-K811 IonicContact OE1-NZ 3.25Å; E807-K811 PolarHBondContact OE1-NZ 3.18Å; E807-K811 IonicContact OE2-NZ 2.77Å; E807-K811 PolarHBondContact OE2-NZ 2.82Å; E807-Q866 PolarHBondContact OE1-NE2 3.19Å; E807-M885 HydrophobicContact CB-CE 3.88Å; E807-M885 HydrophobicContact CG-CE 3.39Å; E807-E886 PolarHBondContact N-OE1 2.93Å |
| 808 | D | 91.1 | Very high | 93.3 | Very high | 107 Ų | 107 | 51.3 Ų | 51.3 | 57% | 0.572 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -72.2 | -32.2 | 178.8 | -72.8 | -15.4 | 0 | 0 | 0 | 112.6 | S806 K811 A812 | S806-D808 VanDerWaalsContact C-N 3.26Å; S806-D808 PolarHBondContact O-N 3.19Å; D808-K811 IonicContact OD1-NZ 3.08Å; D808-K811 PolarHBondContact OD1-NZ 3.48Å; D808-K811 VanDerWaalsContact OD1-NZ 3.08Å; D808-A812 WeakPolarHBondContact O-CB 3.45Å; D808-A812 PolarHBondContact O-N 3.07Å |
| 809 | S | 92.2 | Very high | 93.3 | Very high | 43 Ų | 43 | 57.6 Ų | 57.6 | 30% | 0.301 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.8 | -49.6 | 169.5 | -176.2 | 0 | 0 | 0 | 0 | 111 | S806 K811 A812 N813 | S806-S809 WeakPolarHBondContact O-CB 3.39Å; S806-S809 PolarHBondContact O-N 2.86Å; S806-S809 PolarHBondContact OG-N 2.63Å; S809-K811 PolarHBondContact O-N 2.73Å; S809-A812 PolarHBondContact O-N 3.11Å; S809-N813 WeakPolarHBondContact O-CB 3.31Å; S809-N813 PolarHBondContact O-N 3.38Å; S809-N813 PolarHBondContact O-ND2 2.69Å; S809-N813 VanDerWaalsContact O-ND2 3.14Å; S809-N813 PolarHBondContact OG-ND2 3.26Å |
| 810 | L | 93.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56 | -51.5 | 176.5 | -74.9 | 178.5 | 0 | 0 | 0 | 111.8 | V707 E710 I711 V805 S806 E807 A812 N813 I814 M865 | V707-L810 HydrophobicContact CG1-CD2 3.77Å; E710-L810 HydrophobicContact CB-CD2 3.86Å; E710-L810 VanDerWaalsContact OE2-CD2 3.23Å; E710-L810 WeakPolarHBondContact OE2-CD2 3.49Å; I711-L810 HydrophobicContact CD1-CD2 4.44Å; I711-L810 HydrophobicContact CG1-CD1 4.15Å; I711-L810 HydrophobicContact CG1-CD2 3.88Å; V805-L810 HydrophobicContact CG1-CD1 3.58Å; V805-L810 HydrophobicContact CG1-CG 4Å; S806-L810 PolarHBondContact O-N 2.89Å; E807-L810 PolarHBondContact O-N 2.84Å; L810-A812 PolarHBondContact O-N 3.32Å; L810-N813 PolarHBondContact O-N 3.18Å; L810-I814 WeakPolarHBondContact O-CB 3.35Å; L810-I814 VanDerWaalsContact O-CG1 3.26Å; L810-I814 WeakPolarHBondContact O-CG1 3.47Å; L810-I814 PolarHBondContact O-N 2.75Å; L810-M865 HydrophobicContact CD1-CE 3.9Å; L810-M865 HydrophobicContact CD1-SD 3.99Å |
| 811 | K | 93.1 | Very high | 93.6 | Very high | 74 Ų | 74 | 55.2 Ų | 55.2 | 32% | 0.322 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57.1 | -46 | 176.5 | -71.7 | 165.2 | -169.2 | 150.7 | 0 | 111.9 | E807 D808 S809 A815 | E807-K811 HydrophobicContact CG-CD 4.45Å; E807-K811 WeakPolarHBondContact O-CB 3.26Å; E807-K811 VanDerWaalsContact O-CG 3.24Å; E807-K811 WeakPolarHBondContact O-CG 3.39Å; E807-K811 PolarHBondContact O-N 2.81Å; E807-K811 WeakPolarHBondContact OE1-CE 3.35Å; E807-K811 IonicContact OE1-NZ 3.25Å; E807-K811 PolarHBondContact OE1-NZ 3.18Å; E807-K811 IonicContact OE2-NZ 2.77Å; E807-K811 PolarHBondContact OE2-NZ 2.82Å; D808-K811 IonicContact OD1-NZ 3.08Å; D808-K811 PolarHBondContact OD1-NZ 3.48Å; D808-K811 VanDerWaalsContact OD1-NZ 3.08Å; S809-K811 PolarHBondContact O-N 2.73Å; K811-A815 WeakPolarHBondContact O-CB 3.42Å; K811-A815 PolarHBondContact O-N 3.15Å |
| 812 | A | 94.1 | Very high | 93.7 | Very high | 58 Ų | 58 | 54.6 Ų | 54.6 | 48% | 0.479 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.6 | -47.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | D808 S809 L810 I814 A815 E816 | D808-A812 WeakPolarHBondContact O-CB 3.45Å; D808-A812 PolarHBondContact O-N 3.07Å; S809-A812 PolarHBondContact O-N 3.11Å; L810-A812 PolarHBondContact O-N 3.32Å; A812-I814 PolarHBondContact O-N 3.19Å; A812-A815 PolarHBondContact O-N 2.87Å; A812-E816 WeakPolarHBondContact O-CB 3.49Å; A812-E816 PolarHBondContact O-N 3.08Å |
| 813 | N | 94.8 | Very high | 93.7 | Very high | 17 Ų | 17 | 58.4 Ų | 58.4 | 9% | 0.091 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.9 | -46.3 | 178.1 | -70.8 | -33.7 | 0 | 0 | 0 | 111.6 | K703 V707 S809 L810 E816 M817 | K703-N813 WeakPolarHBondContact CE-OD1 3.26Å; K703-N813 PolarHBondContact NZ-OD1 2.91Å; V707-N813 HydrophobicContact CG2-CB 3.8Å; S809-N813 WeakPolarHBondContact O-CB 3.31Å; S809-N813 PolarHBondContact O-N 3.38Å; S809-N813 PolarHBondContact O-ND2 2.69Å; S809-N813 VanDerWaalsContact O-ND2 3.14Å; S809-N813 PolarHBondContact OG-ND2 3.26Å; L810-N813 PolarHBondContact O-N 3.18Å; N813-E816 PolarHBondContact O-N 2.79Å; N813-M817 WeakPolarHBondContact O-CE 3.37Å; N813-M817 WeakPolarHBondContact O-CG 3.23Å; N813-M817 PolarHBondContact O-N 3.05Å |
| 814 | I | 95.4 | Very high | 93.7 | Very high | 12 Ų | 12 | 57.1 Ų | 57.1 | 6% | 0.062 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 177.6 | -65.9 | 169 | 0 | 0 | 0 | 110.9 | V707 I711 L810 A812 M817 K818 L855 L858 E859 H862 | V707-I814 HydrophobicContact CG1-CG1 4.28Å; I711-I814 HydrophobicContact CD1-CD1 4.32Å; L810-I814 WeakPolarHBondContact O-CB 3.35Å; L810-I814 VanDerWaalsContact O-CG1 3.26Å; L810-I814 WeakPolarHBondContact O-CG1 3.47Å; L810-I814 PolarHBondContact O-N 2.75Å; A812-I814 PolarHBondContact O-N 3.19Å; I814-M817 HydrophobicContact CG1-CE 4.35Å; I814-M817 PolarHBondContact O-N 2.8Å; I814-K818 VanDerWaalsContact O-CB 3.31Å; I814-K818 WeakPolarHBondContact O-CB 3.34Å; I814-K818 PolarHBondContact O-N 2.66Å; I814-L855 HydrophobicContact CG2-CD1 4.42Å; I814-L858 HydrophobicContact CD1-CG 4.48Å; I814-L858 HydrophobicContact CG1-CD2 3.93Å; I814-L858 HydrophobicContact CG1-CG 4.4Å; I814-E859 HydrophobicContact CG2-CG 3.82Å; I814-H862 HydrophobicContact CD1-CB 3.59Å; I814-H862 VanDerWaalsContact CD1-CD2 3.43Å; I814-H862 WeakPolarHBondContact CD1-CD2 3.47Å; I814-H862 VanDerWaalsContact CD1-CG 3.49Å |
| 815 | A | 94.6 | Very high | 93.8 | Very high | 58 Ų | 58 | 50 Ų | 50 | 48% | 0.479 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.1 | -38.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K811 A812 K818 K819 | K811-A815 WeakPolarHBondContact O-CB 3.42Å; K811-A815 PolarHBondContact O-N 3.15Å; A812-A815 PolarHBondContact O-N 2.87Å; A815-K818 PolarHBondContact O-N 2.87Å; A815-K819 VanDerWaalsContact O-CB 3.32Å; A815-K819 WeakPolarHBondContact O-CB 3.45Å; A815-K819 PolarHBondContact O-N 3.45Å |
| 816 | E | 94.2 | Very high | 93.7 | Very high | 121 Ų | 121 | 53.1 Ų | 53.1 | 57% | 0.565 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -65.4 | -46.6 | 174.4 | -175.9 | 177.7 | -166.5 | 0 | 0 | 111.7 | A812 N813 K818 K819 S820 | A812-E816 WeakPolarHBondContact O-CB 3.49Å; A812-E816 PolarHBondContact O-N 3.08Å; N813-E816 PolarHBondContact O-N 2.79Å; E816-K818 VanDerWaalsContact C-N 3.33Å; E816-K818 PolarHBondContact O-N 3.15Å; E816-K819 PolarHBondContact O-N 3.02Å; E816-S820 WeakPolarHBondContact O-CB 3.16Å; E816-S820 PolarHBondContact O-N 3.17Å; E816-S820 PolarHBondContact O-OG 2.99Å |
| 817 | M | 95.9 | Very high | 93.4 | Very high | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.015 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.9 | -44.8 | 174.7 | -73.3 | -172 | -78.5 | 0 | 0 | 111.3 | F696 F700 K703 V707 N813 I814 S820 V821 L855 L858 | F696-M817 HydrophobicContact CE2-CB 4.29Å; F696-M817 HydrophobicContact CE2-CG 3.99Å; F696-M817 HydrophobicContact CZ-CB 4.11Å; F696-M817 HydrophobicContact CZ-CG 4.15Å; F700-M817 HydrophobicContact CD2-SD 4.48Å; F700-M817 HydrophobicContact CE2-SD 4.28Å; K703-M817 HydrophobicContact CB-SD 4.26Å; K703-M817 HydrophobicContact CG-CE 4.29Å; K703-M817 HydrophobicContact CG-CG 4.31Å; K703-M817 HydrophobicContact CG-SD 3.88Å; V707-M817 HydrophobicContact CG1-CE 4.49Å; V707-M817 HydrophobicContact CG2-CE 4.26Å; N813-M817 WeakPolarHBondContact O-CE 3.37Å; N813-M817 WeakPolarHBondContact O-CG 3.23Å; N813-M817 PolarHBondContact O-N 3.05Å; I814-M817 HydrophobicContact CG1-CE 4.35Å; I814-M817 PolarHBondContact O-N 2.8Å; M817-S820 PolarHBondContact O-N 3.43Å; M817-V821 WeakPolarHBondContact O-CB 3.34Å; M817-V821 WeakPolarHBondContact O-CG2 3.43Å; M817-V821 PolarHBondContact O-N 3.12Å; M817-L855 HydrophobicContact CB-CD1 3.88Å; M817-L858 HydrophobicContact CE-CD2 3.46Å; M817-L858 VanDerWaalsContact CE-CD2 3.46Å; M817-L858 HydrophobicContact SD-CD2 4.48Å |
| 818 | K | 95 | Very high | 93.5 | Very high | 102 Ų | 102 | 51 Ų | 51 | 44% | 0.443 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 177.2 | -171 | 170.6 | -168.8 | 153.5 | 0 | 113.2 | I814 A815 E816 S820 V821 S822 L855 E859 | I814-K818 VanDerWaalsContact O-CB 3.31Å; I814-K818 WeakPolarHBondContact O-CB 3.34Å; I814-K818 PolarHBondContact O-N 2.66Å; A815-K818 PolarHBondContact O-N 2.87Å; E816-K818 VanDerWaalsContact C-N 3.33Å; E816-K818 PolarHBondContact O-N 3.15Å; K818-S820 VanDerWaalsContact C-N 3.35Å; K818-V821 PolarHBondContact O-N 3.11Å; K818-S822 VanDerWaalsContact O-CB 3.3Å; K818-S822 WeakPolarHBondContact O-CB 3.42Å; K818-S822 PolarHBondContact O-N 3.02Å; K818-L855 HydrophobicContact CB-CD2 3.93Å; K818-L855 HydrophobicContact CG-CD2 4.33Å; K818-E859 WeakPolarHBondContact CD-OE1 3.45Å; K818-E859 VanDerWaalsContact NZ-CD 3.3Å; K818-E859 IonicContact NZ-OE1 2.59Å; K818-E859 PolarHBondContact NZ-OE1 3.17Å; K818-E859 IonicContact NZ-OE2 3.19Å; K818-E859 PolarHBondContact NZ-OE2 2.94Å |
| 819 | K | 95.2 | Very high | 93.3 | Very high | 143 Ų | 143 | 53.3 Ų | 53.3 | 62% | 0.622 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -61.3 | -44.1 | 175.2 | -174.8 | -179.6 | 179 | -175.7 | 0 | 111 | A815 E816 S822 N823 | A815-K819 VanDerWaalsContact O-CB 3.32Å; A815-K819 WeakPolarHBondContact O-CB 3.45Å; A815-K819 PolarHBondContact O-N 3.45Å; E816-K819 PolarHBondContact O-N 3.02Å; K819-S822 PolarHBondContact O-N 3.08Å; K819-N823 WeakPolarHBondContact O-CB 3.37Å; K819-N823 PolarHBondContact O-N 3.06Å; K819-N823 PolarHBondContact O-ND2 3.14Å; K819-N823 PolarHBondContact O-OD1 3.36Å |
| 820 | S | 95.1 | Very high | 93 | Very high | 27 Ų | 27 | 55 Ų | 55 | 19% | 0.189 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.7 | -46 | 178.6 | -62.2 | 0 | 0 | 0 | 0 | 112.4 | F696 E816 M817 K818 S822 N823 I824 | F696-S820 VanDerWaalsContact CD2-CB 3.47Å; F696-S820 VanDerWaalsContact CE2-CB 3.5Å; E816-S820 WeakPolarHBondContact O-CB 3.16Å; E816-S820 PolarHBondContact O-N 3.17Å; E816-S820 PolarHBondContact O-OG 2.99Å; M817-S820 PolarHBondContact O-N 3.43Å; K818-S820 VanDerWaalsContact C-N 3.35Å; S820-S822 VanDerWaalsContact C-N 3.34Å; S820-S822 PolarHBondContact O-N 3.39Å; S820-N823 PolarHBondContact O-N 3.37Å; S820-I824 WeakPolarHBondContact O-CG1 3.47Å; S820-I824 PolarHBondContact O-N 3.45Å |
| 821 | V | 95.4 | Very high | 92.6 | Very high | 10 Ų | 10 | 55.8 Ų | 55.8 | 6% | 0.061 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.2 | -42.6 | 173.1 | 167.4 | 0 | 0 | 0 | 0 | 111.7 | F696 M817 K818 I824 D825 L848 A851 K852 L855 | F696-V821 HydrophobicContact CE1-CG2 3.81Å; F696-V821 HydrophobicContact CZ-CG2 4.13Å; M817-V821 WeakPolarHBondContact O-CB 3.34Å; M817-V821 WeakPolarHBondContact O-CG2 3.43Å; M817-V821 PolarHBondContact O-N 3.12Å; K818-V821 PolarHBondContact O-N 3.11Å; V821-I824 PolarHBondContact O-N 3.03Å; V821-D825 WeakPolarHBondContact O-CB 3.43Å; V821-D825 PolarHBondContact O-N 2.96Å; V821-L848 HydrophobicContact CG1-CD1 3.83Å; V821-A851 HydrophobicContact CG2-CB 4.15Å; V821-K852 HydrophobicContact CG1-CG 3.69Å; V821-L855 HydrophobicContact CB-CD2 4.26Å; V821-L855 HydrophobicContact CG2-CD2 4.07Å |
| 822 | S | 94.2 | Very high | 92.1 | Very high | 64 Ų | 64 | 60.5 Ų | 60.5 | 45% | 0.448 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67.8 | -34.5 | 177.6 | -171.9 | 0 | 0 | 0 | 0 | 113.3 | K818 K819 S820 T826 | K818-S822 VanDerWaalsContact O-CB 3.3Å; K818-S822 WeakPolarHBondContact O-CB 3.42Å; K818-S822 PolarHBondContact O-N 3.02Å; K819-S822 PolarHBondContact O-N 3.08Å; S820-S822 VanDerWaalsContact C-N 3.34Å; S820-S822 PolarHBondContact O-N 3.39Å; S822-T826 WeakPolarHBondContact O-CB 3.36Å; S822-T826 PolarHBondContact O-N 3.33Å; S822-T826 VanDerWaalsContact O-N 3.1Å; S822-T826 PolarHBondContact O-OG1 2.89Å |
| 823 | N | 93.2 | Very high | 91.6 | Very high | 79 Ų | 79 | 60.9 Ų | 60.9 | 42% | 0.422 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.4 | -48.6 | 174.5 | -70.7 | -18.9 | 0 | 0 | 0 | 110.2 | K819 S820 D825 T826 D827 | K819-N823 WeakPolarHBondContact O-CB 3.37Å; K819-N823 PolarHBondContact O-N 3.06Å; K819-N823 PolarHBondContact O-ND2 3.14Å; K819-N823 PolarHBondContact O-OD1 3.36Å; S820-N823 PolarHBondContact O-N 3.37Å; N823-D825 VanDerWaalsContact C-N 3.34Å; N823-D825 PolarHBondContact O-N 3.48Å; N823-T826 PolarHBondContact O-N 2.86Å; N823-T826 VanDerWaalsContact O-N 3.14Å; N823-D827 WeakPolarHBondContact O-CB 3.43Å; N823-D827 PolarHBondContact O-N 3.38Å |
| 824 | I | 93.9 | Very high | 91 | Very high | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.8 | -45.5 | 177.7 | -66.4 | 163.4 | 0 | 0 | 0 | 111.1 | F696 S820 V821 T826 D827 L828 M844 F847 L848 | F696-I824 HydrophobicContact CD1-CD1 3.7Å; F696-I824 HydrophobicContact CE1-CD1 4.36Å; S820-I824 WeakPolarHBondContact O-CG1 3.47Å; S820-I824 PolarHBondContact O-N 3.45Å; V821-I824 PolarHBondContact O-N 3.03Å; I824-T826 VanDerWaalsContact C-N 3.34Å; I824-T826 PolarHBondContact O-N 3.25Å; I824-D827 PolarHBondContact O-N 3.11Å; I824-L828 HydrophobicContact CG2-CD1 3.92Å; I824-L828 HydrophobicContact CG2-CG 4.35Å; I824-L828 WeakPolarHBondContact O-CB 3.38Å; I824-L828 WeakPolarHBondContact O-CG 3.41Å; I824-L828 PolarHBondContact O-N 3.35Å; I824-M844 HydrophobicContact CD1-CE 3.71Å; I824-M844 HydrophobicContact CG1-CE 4.06Å; I824-M844 HydrophobicContact CG2-CE 3.76Å; I824-F847 HydrophobicContact CD1-CE1 3.96Å; I824-L848 HydrophobicContact CB-CD1 4.29Å; I824-L848 HydrophobicContact CG2-CB 4.37Å; I824-L848 HydrophobicContact CG2-CD1 4.04Å; I824-L848 HydrophobicContact CG2-CD2 4.38Å |
| 825 | D | 92.9 | Very high | 90.5 | Very high | 35 Ų | 35 | 65 Ų | 65 | 19% | 0.187 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.5 | -40.5 | 176.3 | -177.6 | 83.6 | 0 | 0 | 0 | 113.1 | V821 N823 K829 L848 K852 | V821-D825 WeakPolarHBondContact O-CB 3.43Å; V821-D825 PolarHBondContact O-N 2.96Å; N823-D825 VanDerWaalsContact C-N 3.34Å; N823-D825 PolarHBondContact O-N 3.48Å; D825-K829 WeakPolarHBondContact O-CD 3.38Å; D825-K829 WeakPolarHBondContact O-CG 3.46Å; D825-K829 PolarHBondContact O-N 2.87Å; D825-K829 WeakPolarHBondContact OD2-CE 3.5Å; D825-K829 IonicContact OD2-NZ 2.61Å; D825-K829 PolarHBondContact OD2-NZ 3.21Å; D825-L848 HydrophobicContact CB-CD1 4.38Å; D825-L848 HydrophobicContact CB-CD2 3.86Å; D825-K852 IonicContact OD1-NZ 2.68Å; D825-K852 PolarHBondContact OD1-NZ 3.4Å |
| 826 | T | 91.7 | Very high | 90 | Very high | 77 Ų | 77 | 69 Ų | 69 | 47% | 0.472 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -71.1 | -41.7 | 178.6 | -57.7 | 0 | 0 | 0 | 0 | 111.4 | S822 N823 I824 K829 | S822-T826 WeakPolarHBondContact O-CB 3.36Å; S822-T826 PolarHBondContact O-N 3.33Å; S822-T826 VanDerWaalsContact O-N 3.1Å; S822-T826 PolarHBondContact O-OG1 2.89Å; N823-T826 PolarHBondContact O-N 2.86Å; N823-T826 VanDerWaalsContact O-N 3.14Å; I824-T826 VanDerWaalsContact C-N 3.34Å; I824-T826 PolarHBondContact O-N 3.25Å; T826-K829 PolarHBondContact O-N 3.44Å |
| 827 | D | 87.8 | Confident | 89.5 | Confident | 21 Ų | 21 | 66.1 Ų | 66.1 | 11% | 0.112 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.7 | -42.3 | 179.6 | -86.9 | -39 | 0 | 0 | 0 | 111.9 | K686 P689 N823 I824 K829 T830 Y831 | K686-D827 IonicContact NZ-OD1 3.06Å; K686-D827 PolarHBondContact NZ-OD1 3.07Å; P689-D827 WeakPolarHBondContact CB-OD2 3.23Å; N823-D827 WeakPolarHBondContact O-CB 3.43Å; N823-D827 PolarHBondContact O-N 3.38Å; I824-D827 PolarHBondContact O-N 3.11Å; D827-K829 VanDerWaalsContact C-N 3.25Å; D827-K829 PolarHBondContact O-N 3.21Å; D827-T830 CarbonylContact O-C 3.6Å; D827-T830 WeakPolarHBondContact O-CA 3.38Å; D827-T830 PolarHBondContact O-N 3.14Å; D827-T830 PolarHBondContact O-OG1 3.19Å; D827-Y831 HydrophobicContact CB-CD2 4.03Å; D827-Y831 HydrophobicContact CB-CE2 3.7Å; D827-Y831 WeakPolarHBondContact O-CD2 3.28Å; D827-Y831 PolarHBondContact O-N 3.16Å |
| 828 | L | 89.5 | Confident | 89.2 | Confident | 18 Ų | 18 | 66.3 Ų | 66.3 | 9% | 0.094 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59 | -33.5 | 176.8 | -77.2 | 175.1 | 0 | 0 | 0 | 113 | I824 T830 Y831 Y840 I841 M844 Q845 L848 | I824-L828 HydrophobicContact CG2-CD1 3.92Å; I824-L828 HydrophobicContact CG2-CG 4.35Å; I824-L828 WeakPolarHBondContact O-CB 3.38Å; I824-L828 WeakPolarHBondContact O-CG 3.41Å; I824-L828 PolarHBondContact O-N 3.35Å; L828-T830 PolarHBondContact O-N 3.46Å; L828-Y831 PolarHBondContact O-N 3.32Å; L828-Y840 HydrophobicContact CD2-CD1 4.38Å; L828-Y840 HydrophobicContact CD2-CE1 4.02Å; L828-I841 HydrophobicContact CD2-CG1 4.31Å; L828-I841 HydrophobicContact CD2-CG2 4.48Å; L828-M844 HydrophobicContact CD1-CB 4.18Å; L828-M844 HydrophobicContact CD2-CB 4.13Å; L828-Q845 HydrophobicContact CD1-CB 4.47Å; L828-L848 HydrophobicContact CD1-CB 4.48Å; L828-L848 HydrophobicContact CD1-CD2 3.86Å |
| 829 | K | 88.4 | Confident | 89 | Confident | 155 Ų | 155 | 65.2 Ų | 65.2 | 67% | 0.674 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -19.8 | 172.3 | -70.2 | 161.7 | 179.6 | 161.7 | 0 | 113.9 | D825 T826 D827 | D825-K829 WeakPolarHBondContact O-CD 3.38Å; D825-K829 WeakPolarHBondContact O-CG 3.46Å; D825-K829 PolarHBondContact O-N 2.87Å; D825-K829 WeakPolarHBondContact OD2-CE 3.5Å; D825-K829 IonicContact OD2-NZ 2.61Å; D825-K829 PolarHBondContact OD2-NZ 3.21Å; T826-K829 PolarHBondContact O-N 3.44Å; D827-K829 VanDerWaalsContact C-N 3.25Å; D827-K829 PolarHBondContact O-N 3.21Å |
| 830 | T | 85.3 | Confident | 88.8 | Confident | 78 Ų | 78 | 58.4 Ų | 58.4 | 48% | 0.479 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -18.8 | -177.4 | 65.1 | 0 | 0 | 0 | 0 | 113.9 | K686 D827 L828 | K686-T830 PolarHBondContact NZ-OG1 3.19Å; D827-T830 CarbonylContact O-C 3.6Å; D827-T830 WeakPolarHBondContact O-CA 3.38Å; D827-T830 PolarHBondContact O-N 3.14Å; D827-T830 PolarHBondContact O-OG1 3.19Å; L828-T830 PolarHBondContact O-N 3.46Å |
| 831 | Y | 84.7 | Confident | 88.5 | Confident | 19 Ų | 19 | 59.5 Ų | 59.5 | 8% | 0.075 | 33% | 0.325 | C | S | . | . | trans | -71.3 | 145.6 | 179 | -84.7 | -63 | 0 | 0 | 0 | 111.7 | K686 R690 D827 L828 Y840 | K686-Y831 HydrophobicContact CB-CE1 3.8Å; K686-Y831 VanDerWaalsContact CB-OH 3.22Å; K686-Y831 WeakPolarHBondContact CB-OH 3.25Å; K686-Y831 HydrophobicContact CD-CE1 4.15Å; K686-Y831 HydrophobicContact CG-CE1 4.43Å; K686-Y831 PolarHBondContact O-OH 3.23Å; R690-Y831 WeakPolarHBondContact CB-OH 3.28Å; R690-Y831 PolarHBondContact N-OH 2.99Å; D827-Y831 HydrophobicContact CB-CD2 4.03Å; D827-Y831 HydrophobicContact CB-CE2 3.7Å; D827-Y831 WeakPolarHBondContact O-CD2 3.28Å; D827-Y831 PolarHBondContact O-N 3.16Å; L828-Y831 PolarHBondContact O-N 3.32Å; Y831-Y840 HydrophobicContact CD2-CD1 4.22Å; Y831-Y840 AromaticContact CD2-CE1 3.49Å; Y831-Y840 HydrophobicContact CD2-CE1 3.49Å; Y831-Y840 VanDerWaalsContact CD2-CE1 3.49Å; Y831-Y840 HydrophobicContact CE2-CD1 4.31Å; Y831-Y840 AromaticContact CE2-CE1 3.36Å; Y831-Y840 HydrophobicContact CE2-CE1 3.36Å; Y831-Y840 AromaticContact CE2-CZ 3.76Å; Y831-Y840 HydrophobicContact CG-CE1 4.21Å | ||
| 832 | K | 83.1 | Confident | 88.3 | Confident | 173 Ų | 173 | 62.4 Ų | 62.4 | 75% | 0.752 | 34% | 0.344 | S | S | * | . | trans | -134.1 | 136.9 | 166 | -63 | -173.4 | 179.6 | -174.8 | 0 | 106.8 | Q834 | K832-Q834 PolarHBondContact O-N 2.82Š| ||
| 833 | A | 84 | Confident | 88.2 | Confident | 66 Ų | 66 | 61.3 Ų | 61.3 | 55% | 0.545 | 34% | 0.335 | S | S | . | . | trans | -53.8 | 129.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | D838 | A833-D838 HydrophobicContact CB-CB 4.21Š| ||
| 834 | Q | 82.4 | Confident | 88.3 | Confident | 51 Ų | 51 | 57.6 Ų | 57.6 | 24% | 0.238 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -90.1 | -33.6 | -174.5 | -65.2 | 172.7 | 99.7 | 0 | 0 | 112.4 | D683 K685 K832 D838 | D683-Q834 PolarHBondContact O-OE1 3.22Å; D683-Q834 VanDerWaalsContact O-OE1 3.08Å; K685-Q834 VanDerWaalsContact CB-OE1 3.23Å; K685-Q834 HydrophobicContact CD-CG 4.16Å; K832-Q834 PolarHBondContact O-N 2.82Å; Q834-D838 PolarHBondContact N-OD2 3.35Å; Q834-D838 PolarHBondContact NE2-OD2 3.15Å |
| 835 | E | 85 | Confident | 88.2 | Confident | 63 Ų | 63 | 61.5 Ų | 61.5 | 29% | 0.294 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -137.2 | 158.6 | -178.5 | -53 | -173.8 | 147.2 | 0 | 0 | 108.3 | R629 L633 N837 D838 | R629-E835 IonicContact CZ-OE1 3.5Å; R629-E835 IonicContact CZ-OE2 3.93Å; R629-E835 IonicContact NH1-OE1 3.17Å; R629-E835 PolarHBondContact NH1-OE1 2.96Å; R629-E835 IonicContact NH1-OE2 3.12Å; R629-E835 PolarHBondContact NH1-OE2 3.29Å; R629-E835 IonicContact NH2-OE1 3.58Å; R629-E835 PolarHBondContact NH2-OE1 3.35Å; R629-E835 IonicContact NH2-OE2 2.56Å; L633-E835 HydrophobicContact CD1-CG 4.26Å; L633-E835 HydrophobicContact CD2-CB 4.13Å; L633-E835 WeakPolarHBondContact CD2-OE2 3.47Å; E835-N837 WeakPolarHBondContact CB-OD1 3.16Å; E835-N837 PolarHBondContact O-N 3.46Å; E835-D838 WeakPolarHBondContact O-CB 3.36Å; E835-D838 PolarHBondContact O-N 3.05Å |
| 836 | P | 82.6 | Confident | 88.2 | Confident | 142 Ų | 142 | 65.5 Ų | 65.5 | 92% | 0.922 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -18.3 | -179.5 | -25.7 | 35.7 | 0 | 0 | 0 | 115 | ||
| 837 | N | 84.3 | Confident | 88.4 | Confident | 61 Ų | 61 | 63 Ų | 63 | 33% | 0.326 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 10.1 | 179 | 57.8 | -49.6 | 0 | 0 | 0 | 113.8 | L633 T634 E835 N839 | L633-N837 HydrophobicContact CD2-CB 4.46Å; L633-N837 WeakPolarHBondContact CD2-ND2 3.16Å; T634-N837 HydrophobicContact CG2-CB 4.36Å; T634-N837 WeakPolarHBondContact CG2-O 3.47Å; E835-N837 WeakPolarHBondContact CB-OD1 3.16Å; E835-N837 PolarHBondContact O-N 3.46Å; N837-N839 VanDerWaalsContact C-N 3.3Å; N837-N839 PolarHBondContact O-N 3.47Å |
| 838 | D | 89.4 | Confident | 88.7 | Confident | 8 Ų | 8 | 62 Ų | 62 | 4% | 0.043 | 33% | 0.332 | C | S | . | . | trans | -76.1 | 76.8 | 176.8 | -169.4 | -5.1 | 0 | 0 | 0 | 111.4 | L633 R690 A833 Q834 E835 Y840 | L633-D838 HydrophobicContact CD1-CB 4.4Å; L633-D838 HydrophobicContact CD2-CB 3.91Å; L633-D838 HydrophobicContact CG-CB 3.98Å; R690-D838 IonicContact CZ-OD1 3.43Å; R690-D838 VanDerWaalsContact CZ-OD1 3.24Å; R690-D838 IonicContact NH1-OD1 3.3Å; R690-D838 PolarHBondContact NH1-OD1 2.8Å; R690-D838 IonicContact NH1-OD2 2.75Å; R690-D838 IonicContact NH2-OD1 2.69Å; R690-D838 PolarHBondContact NH2-OD1 2.94Å; R690-D838 IonicContact NH2-OD2 2.89Å; R690-D838 PolarHBondContact NH2-OD2 3.47Å; A833-D838 HydrophobicContact CB-CB 4.21Å; Q834-D838 PolarHBondContact N-OD2 3.35Å; Q834-D838 PolarHBondContact NE2-OD2 3.15Å; E835-D838 WeakPolarHBondContact O-CB 3.36Å; E835-D838 PolarHBondContact O-N 3.05Å; D838-Y840 PolarHBondContact O-N 2.71Å; D838-Y840 WeakPolarHBondContact OD1-CB 3.24Å | ||
| 839 | N | 90 | Very high | 88.9 | Confident | 79 Ų | 79 | 65.6 Ų | 65.6 | 42% | 0.422 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 0.1 | -176.8 | -71.8 | -12.7 | 0 | 0 | 0 | 114.5 | L633 N837 I841 P842 V843 | L633-N839 PolarHBondContact O-N 2.88Å; N837-N839 VanDerWaalsContact C-N 3.3Å; N837-N839 PolarHBondContact O-N 3.47Å; N839-I841 VanDerWaalsContact C-N 3.35Å; N839-I841 PolarHBondContact O-N 3.43Å; N839-P842 WeakPolarHBondContact O-CD 3.41Å; N839-V843 HydrophobicContact CB-CG2 4.4Å; N839-V843 WeakPolarHBondContact O-CG2 3.27Å; N839-V843 PolarHBondContact O-N 3.16Å; N839-V843 VanDerWaalsContact O-N 3.11Å |
| 840 | Y | 91.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.9 | -40.4 | -176.3 | 176.1 | -88 | 0 | 0 | 0 | 113.5 | V635 R690 S693 I694 L828 Y831 D838 M844 | V635-Y840 HydrophobicContact CG2-CD2 3.92Å; V635-Y840 HydrophobicContact CG2-CG 4.41Å; R690-Y840 HydrophobicContact CB-CE2 4.06Å; R690-Y840 HydrophobicContact CG-CD2 3.73Å; R690-Y840 HydrophobicContact CG-CE2 3.59Å; R690-Y840 VanDerWaalsContact CZ-CG 3.45Å; S693-Y840 WeakPolarHBondContact CB-OH 3.37Å; S693-Y840 PolarHBondContact OG-OH 2.84Å; I694-Y840 HydrophobicContact CD1-CD2 4.43Å; I694-Y840 HydrophobicContact CG1-CD2 4.34Å; I694-Y840 HydrophobicContact CG1-CE2 4.21Å; L828-Y840 HydrophobicContact CD2-CD1 4.38Å; L828-Y840 HydrophobicContact CD2-CE1 4.02Å; Y831-Y840 HydrophobicContact CD2-CD1 4.22Å; Y831-Y840 AromaticContact CD2-CE1 3.49Å; Y831-Y840 HydrophobicContact CD2-CE1 3.49Å; Y831-Y840 VanDerWaalsContact CD2-CE1 3.49Å; Y831-Y840 HydrophobicContact CE2-CD1 4.31Å; Y831-Y840 AromaticContact CE2-CE1 3.36Å; Y831-Y840 HydrophobicContact CE2-CE1 3.36Å; Y831-Y840 AromaticContact CE2-CZ 3.76Å; Y831-Y840 HydrophobicContact CG-CE1 4.21Å; D838-Y840 PolarHBondContact O-N 2.71Å; D838-Y840 WeakPolarHBondContact OD1-CB 3.24Å; Y840-M844 HydrophobicContact CD1-CG 4.18Å; Y840-M844 HydrophobicContact CD2-CG 3.67Å; Y840-M844 HydrophobicContact CE1-CB 4.39Å; Y840-M844 HydrophobicContact CE1-CG 3.99Å; Y840-M844 HydrophobicContact CE2-CG 3.48Å; Y840-M844 VanDerWaalsContact CE2-CG 3.48Å; Y840-M844 HydrophobicContact CE2-SD 4.22Å; Y840-M844 HydrophobicContact CG-CG 4.03Å; Y840-M844 WeakPolarHBondContact O-CB 3.39Å; Y840-M844 VanDerWaalsContact O-CG 3.23Å; Y840-M844 WeakPolarHBondContact O-CG 3.4Å; Y840-M844 PolarHBondContact O-N 3.34Å |
| 841 | I | 90.4 | Very high | 89.5 | Confident | 49 Ų | 49 | 57.1 Ų | 57.1 | 25% | 0.251 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.6 | -54.2 | -179.1 | -65.6 | 173 | 0 | 0 | 0 | 110.7 | L828 N839 Q845 | L828-I841 HydrophobicContact CD2-CG1 4.31Å; L828-I841 HydrophobicContact CD2-CG2 4.48Å; N839-I841 VanDerWaalsContact C-N 3.35Å; N839-I841 PolarHBondContact O-N 3.43Å; I841-Q845 WeakPolarHBondContact O-CB 3.48Å; I841-Q845 PolarHBondContact O-N 2.93Å |
| 842 | P | 90.7 | Very high | 90 | Very high | 72 Ų | 72 | 60.4 Ų | 60.4 | 47% | 0.468 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -53 | -56.8 | 173.3 | -27.8 | 33.7 | 0 | 0 | 0 | 113.8 | N839 M844 Q845 D846 | N839-P842 WeakPolarHBondContact O-CD 3.41Å; P842-M844 VanDerWaalsContact C-N 3.32Å; P842-M844 PolarHBondContact O-N 2.98Å; P842-Q845 PolarHBondContact O-N 3.25Å; P842-Q845 VanDerWaalsContact O-N 3.12Å; P842-D846 PolarHBondContact O-N 3.43Å |
| 843 | V | 92.6 | Very high | 90.5 | Very high | 41 Ų | 41 | 56.6 Ų | 56.6 | 25% | 0.248 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.7 | -40.9 | -173.4 | 174.4 | 0 | 0 | 0 | 0 | 112 | V635 K697 N839 F847 | V635-V843 HydrophobicContact CB-CB 4.48Å; V635-V843 HydrophobicContact CB-CG1 4.24Å; V635-V843 HydrophobicContact CG1-CG1 3.9Å; K697-V843 HydrophobicContact CD-CG1 4.1Å; N839-V843 HydrophobicContact CB-CG2 4.4Å; N839-V843 WeakPolarHBondContact O-CG2 3.27Å; N839-V843 PolarHBondContact O-N 3.16Å; N839-V843 VanDerWaalsContact O-N 3.11Å; V843-F847 WeakPolarHBondContact O-CB 3.29Å; V843-F847 PolarHBondContact O-N 2.76Å; V843-F847 VanDerWaalsContact O-N 3.15Å |
| 844 | M | 93.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -78.9 | -28 | 179 | -65.5 | -57.8 | -50 | 0 | 0 | 112.9 | K697 I824 L828 Y840 P842 F847 L848 | K697-M844 HydrophobicContact CB-SD 4.42Å; K697-M844 HydrophobicContact CD-SD 4.23Å; I824-M844 HydrophobicContact CD1-CE 3.71Å; I824-M844 HydrophobicContact CG1-CE 4.06Å; I824-M844 HydrophobicContact CG2-CE 3.76Å; L828-M844 HydrophobicContact CD1-CB 4.18Å; L828-M844 HydrophobicContact CD2-CB 4.13Å; Y840-M844 HydrophobicContact CD1-CG 4.18Å; Y840-M844 HydrophobicContact CD2-CG 3.67Å; Y840-M844 HydrophobicContact CE1-CB 4.39Å; Y840-M844 HydrophobicContact CE1-CG 3.99Å; Y840-M844 HydrophobicContact CE2-CG 3.48Å; Y840-M844 VanDerWaalsContact CE2-CG 3.48Å; Y840-M844 HydrophobicContact CE2-SD 4.22Å; Y840-M844 HydrophobicContact CG-CG 4.03Å; Y840-M844 WeakPolarHBondContact O-CB 3.39Å; Y840-M844 VanDerWaalsContact O-CG 3.23Å; Y840-M844 WeakPolarHBondContact O-CG 3.4Å; Y840-M844 PolarHBondContact O-N 3.34Å; P842-M844 VanDerWaalsContact C-N 3.32Å; P842-M844 PolarHBondContact O-N 2.98Å; M844-F847 HydrophobicContact CE-CD1 3.7Å; M844-F847 HydrophobicContact CE-CE1 4.24Å; M844-L848 WeakPolarHBondContact O-CB 3.49Å; M844-L848 PolarHBondContact O-N 2.93Å |
| 845 | Q | 93.3 | Very high | 91.5 | Very high | 84 Ų | 84 | 53.5 Ų | 53.5 | 39% | 0.393 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -69.3 | -44.1 | 175.9 | -173.1 | 65.8 | 57.2 | 0 | 0 | 110.9 | L828 I841 P842 L848 V849 | L828-Q845 HydrophobicContact CD1-CB 4.47Å; I841-Q845 WeakPolarHBondContact O-CB 3.48Å; I841-Q845 PolarHBondContact O-N 2.93Å; P842-Q845 PolarHBondContact O-N 3.25Å; P842-Q845 VanDerWaalsContact O-N 3.12Å; Q845-L848 PolarHBondContact O-N 3.29Å; Q845-V849 WeakPolarHBondContact O-CG2 3.37Å; Q845-V849 PolarHBondContact O-N 2.92Å; Q845-V849 VanDerWaalsContact O-N 3.12Å |
| 846 | D | 92.2 | Very high | 91.8 | Very high | 119 Ų | 119 | 53.2 Ų | 53.2 | 64% | 0.636 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64.9 | -46.4 | 176.4 | -66.2 | -16.8 | 0 | 0 | 0 | 110.9 | P842 L848 V849 S850 | P842-D846 PolarHBondContact O-N 3.43Å; D846-L848 VanDerWaalsContact C-N 3.33Å; D846-L848 PolarHBondContact O-N 3.42Å; D846-V849 PolarHBondContact O-N 3.37Å; D846-S850 PolarHBondContact O-N 3.12Å |
| 847 | F | 95.6 | Very high | 92.2 | Very high | 24 Ų | 24 | 47.5 Ų | 47.5 | 11% | 0.105 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.9 | -43.9 | 171.9 | 169.4 | -104.4 | 0 | 0 | 0 | 111.9 | F696 K697 F700 I824 V843 M844 V849 S850 A851 | F696-F847 AromaticContact CD1-CE1 3.87Å; F696-F847 HydrophobicContact CD1-CE1 3.87Å; F696-F847 AromaticContact CD1-CZ 3.87Å; F696-F847 HydrophobicContact CD1-CZ 3.87Å; F696-F847 HydrophobicContact CE1-CE1 4.07Å; F696-F847 AromaticContact CE1-CZ 3.86Å; F696-F847 HydrophobicContact CE1-CZ 3.86Å; K697-F847 HydrophobicContact CB-CD1 4.07Å; K697-F847 HydrophobicContact CB-CD2 4.17Å; K697-F847 HydrophobicContact CB-CE1 4.05Å; K697-F847 HydrophobicContact CB-CE2 4.15Å; K697-F847 HydrophobicContact CB-CG 4.12Å; K697-F847 HydrophobicContact CB-CZ 4.1Å; K697-F847 HydrophobicContact CD-CB 4.06Å; K697-F847 HydrophobicContact CD-CD2 4.31Å; K697-F847 HydrophobicContact CD-CG 4.06Å; K697-F847 HydrophobicContact CG-CB 4.36Å; K697-F847 HydrophobicContact CG-CD1 4.29Å; K697-F847 HydrophobicContact CG-CD2 3.69Å; K697-F847 HydrophobicContact CG-CE2 4.03Å; K697-F847 HydrophobicContact CG-CG 3.82Å; K697-F847 HydrophobicContact CG-CZ 4.48Å; F700-F847 HydrophobicContact CB-CE2 3.86Å; F700-F847 HydrophobicContact CB-CZ 3.91Å; F700-F847 AromaticContact CD1-CE2 3.77Å; F700-F847 HydrophobicContact CD1-CE2 3.77Å; F700-F847 HydrophobicContact CD1-CZ 4.22Å; F700-F847 HydrophobicContact CD2-CZ 4.28Å; F700-F847 HydrophobicContact CE1-CE2 4.48Å; F700-F847 AromaticContact CG-CE2 3.84Å; F700-F847 HydrophobicContact CG-CE2 3.84Å; F700-F847 AromaticContact CG-CZ 3.88Å; F700-F847 HydrophobicContact CG-CZ 3.88Å; I824-F847 HydrophobicContact CD1-CE1 3.96Å; V843-F847 WeakPolarHBondContact O-CB 3.29Å; V843-F847 PolarHBondContact O-N 2.76Å; V843-F847 VanDerWaalsContact O-N 3.15Å; M844-F847 HydrophobicContact CE-CD1 3.7Å; M844-F847 HydrophobicContact CE-CE1 4.24Å; F847-V849 VanDerWaalsContact C-N 3.29Å; F847-V849 PolarHBondContact O-N 2.71Å; F847-S850 PolarHBondContact O-N 2.9Å; F847-A851 HydrophobicContact CD1-CB 4.45Å; F847-A851 HydrophobicContact CD2-CB 4.39Å; F847-A851 HydrophobicContact CE1-CB 3.98Å; F847-A851 HydrophobicContact CE2-CB 3.92Å; F847-A851 HydrophobicContact CZ-CB 3.69Å; F847-A851 VanDerWaalsContact O-CB 3.23Å; F847-A851 WeakPolarHBondContact O-CB 3.29Å; F847-A851 PolarHBondContact O-N 3.22Å |
| 848 | L | 94.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.1 | -34.7 | -178.1 | -177.9 | 65.4 | 0 | 0 | 0 | 112.4 | V821 I824 D825 L828 M844 Q845 D846 K852 | V821-L848 HydrophobicContact CG1-CD1 3.83Å; I824-L848 HydrophobicContact CB-CD1 4.29Å; I824-L848 HydrophobicContact CG2-CB 4.37Å; I824-L848 HydrophobicContact CG2-CD1 4.04Å; I824-L848 HydrophobicContact CG2-CD2 4.38Å; D825-L848 HydrophobicContact CB-CD1 4.38Å; D825-L848 HydrophobicContact CB-CD2 3.86Å; L828-L848 HydrophobicContact CD1-CB 4.48Å; L828-L848 HydrophobicContact CD1-CD2 3.86Å; M844-L848 WeakPolarHBondContact O-CB 3.49Å; M844-L848 PolarHBondContact O-N 2.93Å; Q845-L848 PolarHBondContact O-N 3.29Å; D846-L848 VanDerWaalsContact C-N 3.33Å; D846-L848 PolarHBondContact O-N 3.42Å; L848-K852 HydrophobicContact CD1-CD 4.28Å; L848-K852 HydrophobicContact CD1-CG 4.23Å; L848-K852 HydrophobicContact CG-CD 4.13Å; L848-K852 HydrophobicContact CG-CG 4.48Å; L848-K852 VanDerWaalsContact O-CB 3.29Å; L848-K852 WeakPolarHBondContact O-CB 3.32Å; L848-K852 WeakPolarHBondContact O-CG 3.26Å; L848-K852 PolarHBondContact O-N 3.2Å |
| 849 | V | 93.5 | Very high | 92.9 | Very high | 93 Ų | 93 | 47.3 Ų | 47.3 | 56% | 0.564 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -64.3 | -52 | 174.2 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | Q845 D846 F847 A851 K852 E853 | Q845-V849 WeakPolarHBondContact O-CG2 3.37Å; Q845-V849 PolarHBondContact O-N 2.92Å; Q845-V849 VanDerWaalsContact O-N 3.12Å; D846-V849 PolarHBondContact O-N 3.37Å; F847-V849 VanDerWaalsContact C-N 3.29Å; F847-V849 PolarHBondContact O-N 2.71Å; V849-A851 PolarHBondContact O-N 3.05Å; V849-K852 PolarHBondContact O-N 3.43Å; V849-E853 PolarHBondContact O-N 3.08Å; V849-E853 VanDerWaalsContact O-N 3.12Å |
| 850 | S | 92.7 | Very high | 93 | Very high | 55 Ų | 55 | 44.9 Ų | 44.9 | 39% | 0.385 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.6 | -44.4 | 178.8 | -175.9 | 0 | 0 | 0 | 0 | 112.4 | D846 F847 K852 E853 Q854 | D846-S850 PolarHBondContact O-N 3.12Å; F847-S850 PolarHBondContact O-N 2.9Å; S850-K852 VanDerWaalsContact C-N 3.35Å; S850-K852 PolarHBondContact O-N 3.26Å; S850-E853 PolarHBondContact O-N 3.36Å; S850-Q854 WeakPolarHBondContact O-CG 3.45Å; S850-Q854 PolarHBondContact O-N 2.89Å; S850-Q854 PolarHBondContact OG-NE2 3.43Å |
| 851 | A | 94.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65 | -36.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F700 V821 F847 V849 L855 | F700-A851 HydrophobicContact CD1-CB 4.49Å; F700-A851 HydrophobicContact CE1-CB 3.94Å; F700-A851 HydrophobicContact CE2-CB 4.15Å; F700-A851 HydrophobicContact CZ-CB 3.75Å; V821-A851 HydrophobicContact CG2-CB 4.15Å; F847-A851 HydrophobicContact CD1-CB 4.45Å; F847-A851 HydrophobicContact CD2-CB 4.39Å; F847-A851 HydrophobicContact CE1-CB 3.98Å; F847-A851 HydrophobicContact CE2-CB 3.92Å; F847-A851 HydrophobicContact CZ-CB 3.69Å; F847-A851 VanDerWaalsContact O-CB 3.23Å; F847-A851 WeakPolarHBondContact O-CB 3.29Å; F847-A851 PolarHBondContact O-N 3.22Å; V849-A851 PolarHBondContact O-N 3.05Å; A851-L855 WeakPolarHBondContact O-CB 3.22Å; A851-L855 PolarHBondContact O-N 2.87Å |
| 852 | K | 94.5 | Very high | 93.3 | Very high | 87 Ų | 87 | 43.3 Ų | 43.3 | 38% | 0.378 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.6 | -42.2 | 172.6 | -79.2 | 174.4 | 177.8 | 175.4 | 0 | 112.4 | V821 D825 L848 V849 S850 S856 | V821-K852 HydrophobicContact CG1-CG 3.69Å; D825-K852 IonicContact OD1-NZ 2.68Å; D825-K852 PolarHBondContact OD1-NZ 3.4Å; L848-K852 HydrophobicContact CD1-CD 4.28Å; L848-K852 HydrophobicContact CD1-CG 4.23Å; L848-K852 HydrophobicContact CG-CD 4.13Å; L848-K852 HydrophobicContact CG-CG 4.48Å; L848-K852 VanDerWaalsContact O-CB 3.29Å; L848-K852 WeakPolarHBondContact O-CB 3.32Å; L848-K852 WeakPolarHBondContact O-CG 3.26Å; L848-K852 PolarHBondContact O-N 3.2Å; V849-K852 PolarHBondContact O-N 3.43Å; S850-K852 VanDerWaalsContact C-N 3.35Å; S850-K852 PolarHBondContact O-N 3.26Å; K852-S856 WeakPolarHBondContact O-CB 3.45Å; K852-S856 PolarHBondContact O-N 3.11Å |
| 853 | E | 92.5 | Very high | 93.5 | Very high | 94 Ų | 94 | 46 Ų | 46 | 44% | 0.439 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.8 | -51.5 | 176.2 | -176.1 | 179.5 | 179.3 | 0 | 0 | 110.7 | K412 V849 S850 L855 S856 Q857 | K412-E853 IonicContact NZ-OE1 2.73Å; K412-E853 PolarHBondContact NZ-OE1 2.81Å; V849-E853 PolarHBondContact O-N 3.08Å; V849-E853 VanDerWaalsContact O-N 3.12Å; S850-E853 PolarHBondContact O-N 3.36Å; E853-L855 PolarHBondContact O-N 3.42Å; E853-S856 PolarHBondContact O-N 3.47Å; E853-Q857 WeakPolarHBondContact O-CG 3.44Å; E853-Q857 PolarHBondContact O-N 3.18Å; E853-Q857 PolarHBondContact OE1-NE2 3.22Å |
| 854 | Q | 93.8 | Very high | 93.5 | Very high | 47 Ų | 47 | 45.2 Ų | 45.2 | 22% | 0.22 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.8 | -39.2 | -177.5 | -67.6 | -167.6 | 73.5 | 0 | 0 | 112.7 | F700 L704 S850 Q857 L858 | F700-Q854 HydrophobicContact CE1-CB 4.15Å; F700-Q854 HydrophobicContact CZ-CB 4.1Å; L704-Q854 HydrophobicContact CD1-CB 4.05Å; S850-Q854 WeakPolarHBondContact O-CG 3.45Å; S850-Q854 PolarHBondContact O-N 2.89Å; S850-Q854 PolarHBondContact OG-NE2 3.43Å; Q854-Q857 PolarHBondContact O-N 3.02Å; Q854-L858 WeakPolarHBondContact O-CB 3.45Å; Q854-L858 PolarHBondContact O-N 2.98Å |
| 855 | L | 93.7 | Very high | 93.6 | Very high | 5 Ų | 5 | 45.3 Ų | 45.3 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68 | -39.7 | 175.3 | -176.1 | 65.8 | 0 | 0 | 0 | 111.7 | I814 M817 K818 V821 A851 E853 Q857 L858 E859 | I814-L855 HydrophobicContact CG2-CD1 4.42Å; M817-L855 HydrophobicContact CB-CD1 3.88Å; K818-L855 HydrophobicContact CB-CD2 3.93Å; K818-L855 HydrophobicContact CG-CD2 4.33Å; V821-L855 HydrophobicContact CB-CD2 4.26Å; V821-L855 HydrophobicContact CG2-CD2 4.07Å; A851-L855 WeakPolarHBondContact O-CB 3.22Å; A851-L855 PolarHBondContact O-N 2.87Å; E853-L855 PolarHBondContact O-N 3.42Å; L855-Q857 VanDerWaalsContact C-N 3.32Å; L855-Q857 PolarHBondContact O-N 3.1Å; L855-L858 HydrophobicContact CD1-CD2 4.32Å; L855-L858 WeakPolarHBondContact O-CB 3.27Å; L855-L858 PolarHBondContact O-N 3.02Å; L855-L858 VanDerWaalsContact O-N 3.16Å; L855-E859 HydrophobicContact CD1-CG 4.39Å; L855-E859 HydrophobicContact CG-CG 4.31Å; L855-E859 WeakPolarHBondContact O-CG 3.06Å; L855-E859 PolarHBondContact O-N 2.98Å |
| 856 | S | 92.1 | Very high | 93.7 | Very high | 57 Ų | 57 | 44 Ų | 44 | 40% | 0.399 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.9 | -39.8 | 175.7 | -176.4 | 0 | 0 | 0 | 0 | 112 | K852 E853 M860 | K852-S856 WeakPolarHBondContact O-CB 3.45Å; K852-S856 PolarHBondContact O-N 3.11Å; E853-S856 PolarHBondContact O-N 3.47Å; S856-M860 WeakPolarHBondContact O-CB 3.34Å; S856-M860 PolarHBondContact O-N 3.33Å |
| 857 | Q | 91.4 | Very high | 93.8 | Very high | 22 Ų | 22 | 42.3 Ų | 42.3 | 10% | 0.103 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.8 | -47.1 | 171.4 | -69.1 | 171.8 | 14.6 | 0 | 0 | 111.2 | E853 Q854 L855 M860 M861 | E853-Q857 WeakPolarHBondContact O-CG 3.44Å; E853-Q857 PolarHBondContact O-N 3.18Å; E853-Q857 PolarHBondContact OE1-NE2 3.22Å; Q854-Q857 PolarHBondContact O-N 3.02Å; L855-Q857 VanDerWaalsContact C-N 3.32Å; L855-Q857 PolarHBondContact O-N 3.1Å; Q857-M860 PolarHBondContact O-N 2.97Å; Q857-M861 WeakPolarHBondContact O-CG 3.43Å; Q857-M861 PolarHBondContact O-N 2.75Å |
| 858 | L | 94 | Very high | 93.8 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.9 | -45.6 | -179.9 | -167.8 | 75.5 | 0 | 0 | 0 | 113.2 | L704 V707 K708 I711 I814 M817 Q854 L855 M860 M861 H862 | L704-L858 HydrophobicContact CD2-CD1 4.4Å; L704-L858 HydrophobicContact CD2-CD2 3.91Å; V707-L858 HydrophobicContact CG1-CD1 4.19Å; V707-L858 HydrophobicContact CG1-CD2 4.03Å; V707-L858 HydrophobicContact CG1-CG 4.47Å; K708-L858 HydrophobicContact CG-CD1 3.64Å; I711-L858 HydrophobicContact CD1-CD1 3.68Å; I711-L858 HydrophobicContact CD1-CG 4.15Å; I814-L858 HydrophobicContact CD1-CG 4.48Å; I814-L858 HydrophobicContact CG1-CD2 3.93Å; I814-L858 HydrophobicContact CG1-CG 4.4Å; M817-L858 HydrophobicContact CE-CD2 3.46Å; M817-L858 VanDerWaalsContact CE-CD2 3.46Å; M817-L858 HydrophobicContact SD-CD2 4.48Å; Q854-L858 WeakPolarHBondContact O-CB 3.45Å; Q854-L858 PolarHBondContact O-N 2.98Å; L855-L858 HydrophobicContact CD1-CD2 4.32Å; L855-L858 WeakPolarHBondContact O-CB 3.27Å; L855-L858 PolarHBondContact O-N 3.02Å; L855-L858 VanDerWaalsContact O-N 3.16Å; L858-M860 PolarHBondContact O-N 3.48Å; L858-M861 PolarHBondContact O-N 2.91Å; L858-H862 WeakPolarHBondContact O-CB 3.38Å; L858-H862 PolarHBondContact O-N 3.02Å |
| 859 | E | 93.8 | Very high | 93.9 | Very high | 65 Ų | 65 | 43.5 Ų | 43.5 | 30% | 0.304 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.7 | -37.8 | 177.6 | -74.7 | -163 | 93.2 | 0 | 0 | 111.8 | I814 K818 L855 K863 | I814-E859 HydrophobicContact CG2-CG 3.82Å; K818-E859 WeakPolarHBondContact CD-OE1 3.45Å; K818-E859 VanDerWaalsContact NZ-CD 3.3Å; K818-E859 IonicContact NZ-OE1 2.59Å; K818-E859 PolarHBondContact NZ-OE1 3.17Å; K818-E859 IonicContact NZ-OE2 3.19Å; K818-E859 PolarHBondContact NZ-OE2 2.94Å; L855-E859 HydrophobicContact CD1-CG 4.39Å; L855-E859 HydrophobicContact CG-CG 4.31Å; L855-E859 WeakPolarHBondContact O-CG 3.06Å; L855-E859 PolarHBondContact O-N 2.98Å; E859-K863 WeakPolarHBondContact O-CB 3.3Å; E859-K863 PolarHBondContact O-N 2.98Å |
| 860 | M | 91.9 | Very high | 94 | Very high | 28 Ų | 28 | 42.3 Ų | 42.3 | 14% | 0.138 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -77.3 | -38.5 | 178 | 172.2 | -176.7 | 46.3 | 0 | 0 | 112.6 | A411 Q414 T415 S856 Q857 L858 H862 K863 R864 | A411-M860 HydrophobicContact CB-CE 3.68Å; A411-M860 WeakPolarHBondContact O-CE 3.49Å; Q414-M860 HydrophobicContact CB-SD 3.82Å; Q414-M860 HydrophobicContact CG-SD 4.13Å; T415-M860 PolarHBondContact N-SD 3.08Å; T415-M860 WeakPolarHBondContact OG1-CE 3.29Å; T415-M860 PolarHBondContact OG1-SD 2.82Å; S856-M860 WeakPolarHBondContact O-CB 3.34Å; S856-M860 PolarHBondContact O-N 3.33Å; Q857-M860 PolarHBondContact O-N 2.97Å; L858-M860 PolarHBondContact O-N 3.48Å; M860-H862 VanDerWaalsContact C-N 3.32Å; M860-K863 PolarHBondContact O-N 3.43Å; M860-R864 VanDerWaalsContact O-CB 3.29Å; M860-R864 WeakPolarHBondContact O-CB 3.42Å; M860-R864 PolarHBondContact O-N 3.41Å |
| 861 | M | 94.2 | Very high | 94.1 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.8 | -48.9 | 170.1 | -71.4 | 171.5 | 67.8 | 0 | 0 | 110.1 | L407 E408 A411 I711 V712 Q857 L858 R864 M865 | L407-M861 HydrophobicContact CB-CE 4.33Å; E408-M861 HydrophobicContact CG-SD 4.43Å; A411-M861 HydrophobicContact CB-CG 3.79Å; I711-M861 HydrophobicContact CG2-CB 3.92Å; V712-M861 HydrophobicContact CG2-CE 4.27Å; Q857-M861 WeakPolarHBondContact O-CG 3.43Å; Q857-M861 PolarHBondContact O-N 2.75Å; L858-M861 PolarHBondContact O-N 2.91Å; M861-R864 PolarHBondContact O-N 2.98Å; M861-M865 WeakPolarHBondContact O-CB 3.41Å; M861-M865 PolarHBondContact O-N 3.05Å |
| 862 | H | 95.1 | Very high | 94.3 | Very high | 14 Ų | 14 | 43 Ų | 43 | 7% | 0.065 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61 | -45.7 | 176.3 | -177.9 | -87.4 | 0 | 0 | 0 | 112.4 | I711 I814 L858 M860 R864 M865 Q866 | I711-H862 HydrophobicContact CD1-CB 4.05Å; I814-H862 HydrophobicContact CD1-CB 3.59Å; I814-H862 VanDerWaalsContact CD1-CD2 3.43Å; I814-H862 WeakPolarHBondContact CD1-CD2 3.47Å; I814-H862 VanDerWaalsContact CD1-CG 3.49Å; L858-H862 WeakPolarHBondContact O-CB 3.38Å; L858-H862 PolarHBondContact O-N 3.02Å; M860-H862 VanDerWaalsContact C-N 3.32Å; H862-R864 VanDerWaalsContact C-N 3.33Å; H862-R864 PolarHBondContact O-N 3.43Å; H862-M865 WeakPolarHBondContact O-CB 3.47Å; H862-M865 PolarHBondContact O-N 3.45Å; H862-Q866 PolarHBondContact CE1-NE2 3.2Å; H862-Q866 PolarHBondContact CE1-OE1 2.82Å; H862-Q866 PolarHBondContact ND1-OE1 3.44Å; H862-Q866 WeakPolarHBondContact O-CG 3.48Å; H862-Q866 PolarHBondContact O-N 3.49Å |
| 863 | K | 94.1 | Very high | 94.3 | Very high | 128 Ų | 128 | 39.1 Ų | 39.1 | 56% | 0.557 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -60.2 | -44.1 | 176.4 | -177.5 | -179.4 | 175.1 | -176.2 | 0 | 111.7 | E859 M860 M865 Q866 D867 | E859-K863 WeakPolarHBondContact O-CB 3.3Å; E859-K863 PolarHBondContact O-N 2.98Å; M860-K863 PolarHBondContact O-N 3.43Å; K863-M865 VanDerWaalsContact C-N 3.34Å; K863-M865 PolarHBondContact O-N 3Å; K863-Q866 WeakPolarHBondContact O-CB 3.49Å; K863-Q866 PolarHBondContact O-N 3.11Å; K863-Q866 VanDerWaalsContact O-N 3.17Å; K863-D867 PolarHBondContact O-N 3.26Å |
| 864 | R | 92.9 | Very high | 94.5 | Very high | 25 Ų | 25 | 39.7 Ų | 39.7 | 9% | 0.094 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.4 | -37.2 | 179.6 | -170.9 | -170.2 | 71.5 | 168.6 | 4.4 | 112.1 | E410 D715 M860 M861 H862 D867 K868 | E410-R864 IonicContact OE2-CZ 2.87Å; E410-R864 IonicContact OE2-NH1 2.7Å; E410-R864 PolarHBondContact OE2-NH1 3.3Å; E410-R864 IonicContact OE2-NH2 3.16Å; D715-R864 VanDerWaalsContact CG-NH2 3.31Å; D715-R864 IonicContact OD1-CZ 2.75Å; D715-R864 VanDerWaalsContact OD1-CZ 3.3Å; D715-R864 IonicContact OD1-NE 2.66Å; D715-R864 PolarHBondContact OD1-NE 2.94Å; D715-R864 VanDerWaalsContact OD1-NE 3.08Å; D715-R864 IonicContact OD1-NH2 3.9Å; D715-R864 PolarHBondContact OD1-NH2 2.89Å; D715-R864 IonicContact OD2-NH2 3.28Å; D715-R864 PolarHBondContact OD2-NH2 3.23Å; M860-R864 VanDerWaalsContact O-CB 3.29Å; M860-R864 WeakPolarHBondContact O-CB 3.42Å; M860-R864 PolarHBondContact O-N 3.41Å; M861-R864 PolarHBondContact O-N 2.98Å; H862-R864 VanDerWaalsContact C-N 3.33Å; H862-R864 PolarHBondContact O-N 3.43Å; R864-D867 PolarHBondContact O-N 3.46Å; R864-K868 WeakPolarHBondContact O-CB 3.35Å; R864-K868 WeakPolarHBondContact O-CG 3.23Å; R864-K868 PolarHBondContact O-N 2.99Å |
| 865 | M | 95 | Very high | 94.6 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.9 | -45.8 | 170.5 | 178.2 | -157.5 | 78.4 | 0 | 0 | 110.9 | I711 V714 L718 L810 M861 H862 K863 K868 F869 M885 | I711-M865 HydrophobicContact CB-SD 4.3Å; I711-M865 HydrophobicContact CG1-SD 4.25Å; I711-M865 HydrophobicContact CG2-CB 4.19Å; I711-M865 HydrophobicContact CG2-SD 4Å; V714-M865 HydrophobicContact CB-CG 3.93Å; V714-M865 HydrophobicContact CB-SD 3.71Å; V714-M865 HydrophobicContact CG1-CG 3.41Å; V714-M865 VanDerWaalsContact CG1-CG 3.41Å; V714-M865 HydrophobicContact CG1-SD 3.58Å; V714-M865 VanDerWaalsContact CG1-SD 3.58Å; V714-M865 HydrophobicContact CG2-SD 4.43Å; L718-M865 HydrophobicContact CD1-CG 4.44Å; L718-M865 WeakPolarHBondContact CD1-O 3.5Å; L810-M865 HydrophobicContact CD1-CE 3.9Å; L810-M865 HydrophobicContact CD1-SD 3.99Å; M861-M865 WeakPolarHBondContact O-CB 3.41Å; M861-M865 PolarHBondContact O-N 3.05Å; H862-M865 WeakPolarHBondContact O-CB 3.47Å; H862-M865 PolarHBondContact O-N 3.45Å; K863-M865 VanDerWaalsContact C-N 3.34Å; K863-M865 PolarHBondContact O-N 3Å; M865-K868 WeakPolarHBondContact O-CB 3.37Å; M865-K868 PolarHBondContact O-N 2.79Å; M865-F869 PolarHBondContact O-N 3.13Å; M865-M885 HydrophobicContact CE-CE 4.46Å |
| 866 | Q | 95 | Very high | 94.8 | Very high | 58 Ų | 58 | 38 Ų | 38 | 27% | 0.271 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.2 | -43.1 | 174.6 | -66 | 179.2 | -59 | 0 | 0 | 112.8 | E807 H862 K863 K868 F869 V870 | E807-Q866 PolarHBondContact OE1-NE2 3.19Å; H862-Q866 PolarHBondContact CE1-NE2 3.2Å; H862-Q866 PolarHBondContact CE1-OE1 2.82Å; H862-Q866 PolarHBondContact ND1-OE1 3.44Å; H862-Q866 WeakPolarHBondContact O-CG 3.48Å; H862-Q866 PolarHBondContact O-N 3.49Å; K863-Q866 WeakPolarHBondContact O-CB 3.49Å; K863-Q866 PolarHBondContact O-N 3.11Å; K863-Q866 VanDerWaalsContact O-N 3.17Å; Q866-K868 VanDerWaalsContact C-N 3.28Å; Q866-K868 PolarHBondContact O-N 3.44Å; Q866-F869 PolarHBondContact O-N 2.98Å; Q866-F869 VanDerWaalsContact O-N 3.12Å; Q866-V870 PolarHBondContact O-N 2.75Å |
| 867 | D | 95 | Very high | 94.9 | Very high | 82 Ų | 82 | 35.7 Ų | 35.7 | 44% | 0.439 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.8 | -36.1 | 176.1 | -69.6 | -29.5 | 0 | 0 | 0 | 111.4 | K863 R864 T871 | K863-D867 PolarHBondContact O-N 3.26Å; R864-D867 PolarHBondContact O-N 3.46Å; D867-T871 PolarHBondContact O-N 3.03Å; D867-T871 PolarHBondContact O-OG1 3.5Å |
| 868 | K | 95.2 | Very high | 95.1 | Very high | 37 Ų | 37 | 36 Ų | 36 | 16% | 0.161 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.2 | -40.2 | 171.6 | -77.8 | 173.5 | 178.4 | 173.9 | 0 | 112.2 | D715 L718 Q719 R864 M865 Q866 V870 T871 V872 | D715-K868 IonicContact OD1-NZ 3.83Å; D715-K868 PolarHBondContact OD1-NZ 3.44Å; D715-K868 IonicContact OD2-NZ 3.8Å; D715-K868 PolarHBondContact OD2-NZ 2.86Å; L718-K868 HydrophobicContact CB-CB 4.2Å; L718-K868 HydrophobicContact CD1-CB 3.93Å; Q719-K868 HydrophobicContact CG-CD 4.49Å; R864-K868 WeakPolarHBondContact O-CB 3.35Å; R864-K868 WeakPolarHBondContact O-CG 3.23Å; R864-K868 PolarHBondContact O-N 2.99Å; M865-K868 WeakPolarHBondContact O-CB 3.37Å; M865-K868 PolarHBondContact O-N 2.79Å; Q866-K868 VanDerWaalsContact C-N 3.28Å; Q866-K868 PolarHBondContact O-N 3.44Å; K868-V870 PolarHBondContact O-N 2.91Å; K868-T871 WeakPolarHBondContact O-CA 3.25Å; K868-T871 WeakPolarHBondContact O-CB 3.28Å; K868-T871 PolarHBondContact O-N 2.74Å; K868-T871 VanDerWaalsContact O-N 3.1Å; K868-V872 PolarHBondContact O-N 3.31Å |
| 869 | F | 96.6 | Very high | 95 | Very high | 13 Ų | 13 | 38.3 Ų | 38.3 | 6% | 0.057 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.6 | -41.5 | 176.3 | 179.6 | -122.9 | 0 | 0 | 0 | 112.2 | L718 M865 Q866 T871 V872 S873 F878 P880 Y883 M885 L888 | L718-F869 HydrophobicContact CD1-CB 3.99Å; L718-F869 HydrophobicContact CD2-CB 4.26Å; L718-F869 HydrophobicContact CD2-CD2 3.92Å; M865-F869 PolarHBondContact O-N 3.13Å; Q866-F869 PolarHBondContact O-N 2.98Å; Q866-F869 VanDerWaalsContact O-N 3.12Å; F869-T871 VanDerWaalsContact C-N 3.25Å; F869-T871 PolarHBondContact O-N 3.5Å; F869-V872 PolarHBondContact O-N 3.16Å; F869-S873 PolarHBondContact O-N 3.23Å; F869-F878 AromaticContact CE2-CE2 3.93Å; F869-F878 HydrophobicContact CE2-CE2 3.93Å; F869-F878 AromaticContact CE2-CZ 3.73Å; F869-F878 HydrophobicContact CE2-CZ 3.73Å; F869-F878 AromaticContact CZ-CE2 3.83Å; F869-F878 HydrophobicContact CZ-CE2 3.83Å; F869-F878 HydrophobicContact CZ-CZ 4.13Å; F869-P880 HydrophobicContact CD1-CB 4.29Å; F869-P880 HydrophobicContact CE1-CB 3.59Å; F869-P880 HydrophobicContact CZ-CB 4.12Å; F869-Y883 WeakPolarHBondContact CZ-O 3.32Å; F869-M885 HydrophobicContact CB-CG 4.12Å; F869-M885 HydrophobicContact CB-SD 3.8Å; F869-M885 HydrophobicContact CD1-CE 4.26Å; F869-M885 HydrophobicContact CD1-CG 3.71Å; F869-M885 HydrophobicContact CD1-SD 4.13Å; F869-M885 HydrophobicContact CD2-CG 3.26Å; F869-M885 HydrophobicContact CD2-SD 4.09Å; F869-M885 HydrophobicContact CE1-CG 3.83Å; F869-M885 HydrophobicContact CE2-CB 4.29Å; F869-M885 HydrophobicContact CE2-CG 3.39Å; F869-M885 HydrophobicContact CG-CE 4.46Å; F869-M885 HydrophobicContact CG-CG 3.41Å; F869-M885 VanDerWaalsContact CG-CG 3.41Å; F869-M885 HydrophobicContact CG-SD 3.75Å; F869-M885 HydrophobicContact CZ-CB 4.43Å; F869-M885 HydrophobicContact CZ-CG 3.68Å; F869-L888 HydrophobicContact CD2-CD2 4.4Å; F869-L888 HydrophobicContact CE2-CD2 3.95Å |
| 870 | V | 95.7 | Very high | 95 | Very high | 68 Ų | 68 | 36.9 Ų | 36.9 | 41% | 0.412 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.2 | -34.6 | 172.2 | 175.6 | 0 | 0 | 0 | 0 | 111.7 | Q866 K868 S873 K874 | Q866-V870 PolarHBondContact O-N 2.75Å; K868-V870 PolarHBondContact O-N 2.91Å; V870-S873 PolarHBondContact O-OG 3.24Å; V870-K874 WeakPolarHBondContact O-CG 3.14Å; V870-K874 PolarHBondContact O-N 3.07Å |
| 871 | T | 96 | Very high | 94.9 | Very high | 68 Ų | 68 | 41.6 Ų | 41.6 | 42% | 0.417 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66.8 | -45.7 | 174.6 | -55.1 | 0 | 0 | 0 | 0 | 111.1 | D867 K868 F869 S873 K874 Y875 | D867-T871 PolarHBondContact O-N 3.03Å; D867-T871 PolarHBondContact O-OG1 3.5Å; K868-T871 WeakPolarHBondContact O-CA 3.25Å; K868-T871 WeakPolarHBondContact O-CB 3.28Å; K868-T871 PolarHBondContact O-N 2.74Å; K868-T871 VanDerWaalsContact O-N 3.1Å; F869-T871 VanDerWaalsContact C-N 3.25Å; F869-T871 PolarHBondContact O-N 3.5Å; T871-S873 VanDerWaalsContact C-N 3.35Å; T871-S873 PolarHBondContact O-N 2.86Å; T871-K874 PolarHBondContact O-N 3.25Å; T871-Y875 WeakPolarHBondContact O-CB 3.46Å; T871-Y875 PolarHBondContact O-N 3.28Å |
| 872 | V | 96.9 | Very high | 94.8 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.8 | -36.9 | 175.2 | 171.2 | 0 | 0 | 0 | 0 | 112.1 | L718 I721 H722 K868 F869 K874 Y875 L876 F878 L888 | L718-V872 HydrophobicContact CB-CG2 4.18Å; L718-V872 HydrophobicContact CD2-CB 4.12Å; L718-V872 HydrophobicContact CD2-CG1 4.35Å; L718-V872 HydrophobicContact CD2-CG2 3.89Å; I721-V872 HydrophobicContact CG2-CG1 3.8Å; H722-V872 HydrophobicContact CB-CG2 4.12Å; K868-V872 PolarHBondContact O-N 3.31Å; F869-V872 PolarHBondContact O-N 3.16Å; V872-K874 VanDerWaalsContact C-N 3.33Å; V872-K874 PolarHBondContact O-N 3.14Å; V872-Y875 PolarHBondContact O-N 2.91Å; V872-L876 HydrophobicContact CG1-CD1 4.07Å; V872-L876 HydrophobicContact CG1-CG 4.37Å; V872-L876 PolarHBondContact O-N 3.32Å; V872-F878 HydrophobicContact CG1-CE1 4.43Å; V872-L888 HydrophobicContact CG1-CD2 3.92Å |
| 873 | S | 96.3 | Very high | 94.8 | Very high | 5 Ų | 5 | 50.1 Ų | 50.1 | 4% | 0.035 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.8 | -35.8 | 178.3 | 81.3 | 0 | 0 | 0 | 0 | 112.5 | F869 V870 T871 A877 F878 | F869-S873 PolarHBondContact O-N 3.23Å; V870-S873 PolarHBondContact O-OG 3.24Å; T871-S873 VanDerWaalsContact C-N 3.35Å; T871-S873 PolarHBondContact O-N 2.86Å; S873-A877 CarbonylContact O-C 3.46Å; S873-A877 WeakPolarHBondContact O-CA 3.08Å; S873-A877 PolarHBondContact O-N 3.18Å; S873-F878 VanDerWaalsContact CA-CZ 3.48Å; S873-F878 VanDerWaalsContact CB-CE2 3.41Å; S873-F878 PolarHBondContact O-N 2.77Å |
| 874 | K | 95.6 | Very high | 94.7 | Very high | 107 Ų | 107 | 47.9 Ų | 47.9 | 47% | 0.465 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -71.4 | -42.2 | 170.2 | -68.5 | 176.4 | 175.7 | -165.7 | 0 | 112.3 | D543 V870 T871 V872 L876 A877 | D543-K874 HydrophobicContact CB-CB 4.14Å; D543-K874 IonicContact OD2-NZ 3.98Å; V870-K874 WeakPolarHBondContact O-CG 3.14Å; V870-K874 PolarHBondContact O-N 3.07Å; T871-K874 PolarHBondContact O-N 3.25Å; V872-K874 VanDerWaalsContact C-N 3.33Å; V872-K874 PolarHBondContact O-N 3.14Å; K874-L876 PolarHBondContact O-N 2.9Å; K874-A877 PolarHBondContact O-N 3.2Å |
| 875 | Y | 96.9 | Very high | 94.7 | Very high | 16 Ų | 16 | 47 Ų | 47 | 6% | 0.063 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.7 | -49.9 | 179.1 | 180 | -112.5 | 0 | 0 | 0 | 111.4 | S546 V547 H722 T871 V872 | S546-Y875 CarbonylContact C-O 3.59Å; S546-Y875 VanDerWaalsContact CA-O 3.29Å; S546-Y875 WeakPolarHBondContact CA-O 3.49Å; S546-Y875 WeakPolarHBondContact CB-O 3.49Å; S546-Y875 PolarHBondContact OG-O 3.33Å; V547-Y875 HydrophobicContact CB-CD1 4.43Å; V547-Y875 HydrophobicContact CB-CD2 4.23Å; V547-Y875 HydrophobicContact CB-CE1 3.96Å; V547-Y875 HydrophobicContact CB-CE2 3.74Å; V547-Y875 HydrophobicContact CG2-CE1 4.28Å; V547-Y875 HydrophobicContact CG2-CE2 4.24Å; V547-Y875 WeakPolarHBondContact CG2-OH 3.15Å; V547-Y875 PolarHBondContact N-O 2.6Å; H722-Y875 AromaticContact CD2-CG 3.78Å; T871-Y875 WeakPolarHBondContact O-CB 3.46Å; T871-Y875 PolarHBondContact O-N 3.28Å; V872-Y875 PolarHBondContact O-N 2.91Å |
| 876 | L | 96.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -88.1 | -5 | 178.6 | -56.6 | -176.2 | 0 | 0 | 0 | 113.9 | V547 W548 I721 F727 L731 I755 V872 K874 F878 L888 | V547-L876 HydrophobicContact CG1-CD2 3.99Å; W548-L876 PolarHBondContact NE1-O 2.85Å; I721-L876 HydrophobicContact CG2-CD1 3.77Å; F727-L876 HydrophobicContact CE1-CD1 4.48Å; F727-L876 HydrophobicContact CE1-CD2 4.17Å; L731-L876 HydrophobicContact CD1-CD2 4.24Å; I755-L876 HydrophobicContact CD1-CB 4.3Å; I755-L876 HydrophobicContact CD1-CD1 4.17Å; I755-L876 HydrophobicContact CD1-CD2 4.22Å; I755-L876 HydrophobicContact CD1-CG 4.46Å; I755-L876 HydrophobicContact CG1-CB 4.13Å; I755-L876 HydrophobicContact CG1-CD1 4.02Å; V872-L876 HydrophobicContact CG1-CD1 4.07Å; V872-L876 HydrophobicContact CG1-CG 4.37Å; V872-L876 PolarHBondContact O-N 3.32Å; K874-L876 PolarHBondContact O-N 2.9Å; L876-F878 HydrophobicContact CB-CD1 3.81Å; L876-F878 HydrophobicContact CB-CE1 3.96Å; L876-F878 HydrophobicContact CD1-CE1 4.27Å; L876-L888 HydrophobicContact CD1-CD1 4.17Å |
| 877 | A | 95.5 | Very high | 94.5 | Very high | 8 Ų | 8 | 50.2 Ų | 50.2 | 7% | 0.066 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 53.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | I537 L542 S873 K874 | I537-A877 HydrophobicContact CD1-CB 4.35Å; I537-A877 HydrophobicContact CG2-CB 4.02Å; L542-A877 HydrophobicContact CD2-CB 3.86Å; S873-A877 CarbonylContact O-C 3.46Å; S873-A877 WeakPolarHBondContact O-CA 3.08Å; S873-A877 PolarHBondContact O-N 3.18Å; K874-A877 PolarHBondContact O-N 3.2Å |
| 878 | F | 94.9 | Very high | 94.6 | Very high | 29 Ų | 29 | 46.3 Ų | 46.3 | 13% | 0.127 | 23% | 0.231 | C | C | . | . | trans | -120.2 | 164.1 | 172.2 | 67 | -101.4 | 0 | 0 | 0 | 112.9 | F869 V872 S873 L876 P880 Y883 L888 | F869-F878 AromaticContact CE2-CE2 3.93Å; F869-F878 HydrophobicContact CE2-CE2 3.93Å; F869-F878 AromaticContact CE2-CZ 3.73Å; F869-F878 HydrophobicContact CE2-CZ 3.73Å; F869-F878 AromaticContact CZ-CE2 3.83Å; F869-F878 HydrophobicContact CZ-CE2 3.83Å; F869-F878 HydrophobicContact CZ-CZ 4.13Å; V872-F878 HydrophobicContact CG1-CE1 4.43Å; S873-F878 VanDerWaalsContact CA-CZ 3.48Å; S873-F878 VanDerWaalsContact CB-CE2 3.41Å; S873-F878 PolarHBondContact O-N 2.77Å; L876-F878 HydrophobicContact CB-CD1 3.81Å; L876-F878 HydrophobicContact CB-CE1 3.96Å; L876-F878 HydrophobicContact CD1-CE1 4.27Å; F878-P880 HydrophobicContact CE2-CB 4.43Å; F878-P880 WeakPolarHBondContact O-CD 3.5Å; F878-Y883 HydrophobicContact CB-CD1 4.26Å; F878-Y883 HydrophobicContact CD1-CD1 4Å; F878-Y883 HydrophobicContact CD1-CE1 4.38Å; F878-Y883 AromaticContact CD2-CD1 3.67Å; F878-Y883 HydrophobicContact CD2-CD1 3.67Å; F878-Y883 HydrophobicContact CD2-CG 4.32Å; F878-Y883 HydrophobicContact CE1-CD1 4.22Å; F878-Y883 HydrophobicContact CE1-CE1 4.49Å; F878-Y883 AromaticContact CE2-CD1 3.92Å; F878-Y883 HydrophobicContact CE2-CD1 3.92Å; F878-Y883 WeakPolarHBondContact CE2-O 3.39Å; F878-Y883 AromaticContact CG-CD1 3.73Å; F878-Y883 HydrophobicContact CG-CD1 3.73Å; F878-Y883 HydrophobicContact CZ-CD1 4.2Å; F878-L888 HydrophobicContact CE1-CD1 4.22Å; F878-L888 HydrophobicContact CE1-CD2 4.24Å; F878-L888 HydrophobicContact CZ-CD2 3.97Å | ||
| 879 | D | 92.5 | Very high | 94.7 | Very high | 47 Ų | 47 | 44.6 Ų | 44.6 | 25% | 0.251 | 22% | 0.224 | S | C | . | . | trans | -87.8 | 109.9 | 176.1 | -179.1 | -2.2 | 0 | 0 | 0 | 110.5 | M541 N881 K882 Y883 | M541-D879 HydrophobicContact CE-CB 4.44Å; D879-N881 PolarHBondContact O-N 3.23Å; D879-N881 VanDerWaalsContact O-N 3.08Å; D879-N881 WeakPolarHBondContact OD1-CB 3.28Å; D879-N881 PolarHBondContact OD1-N 3.44Å; D879-N881 VanDerWaalsContact OD1-N 3.07Å; D879-N881 PolarHBondContact OD1-ND2 3.21Å; D879-K882 HydrophobicContact CB-CB 4.43Å; D879-K882 HydrophobicContact CB-CD 4.33Å; D879-K882 HydrophobicContact CB-CG 4.45Å; D879-K882 PolarHBondContact O-N 3.04Å; D879-K882 WeakPolarHBondContact OD2-CD 3.31Å; D879-K882 WeakPolarHBondContact OD2-CE 3.35Å; D879-K882 IonicContact OD2-NZ 3.53Å; D879-Y883 PolarHBondContact O-N 3.46Å | ||
| 880 | P | 93 | Very high | 94.6 | Very high | 35 Ų | 35 | 46.3 Ų | 46.3 | 23% | 0.227 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -12.2 | -176.5 | 27.9 | -35.2 | 0 | 0 | 0 | 113.6 | F869 F878 K882 H884 | F869-P880 HydrophobicContact CD1-CB 4.29Å; F869-P880 HydrophobicContact CE1-CB 3.59Å; F869-P880 HydrophobicContact CZ-CB 4.12Å; F878-P880 HydrophobicContact CE2-CB 4.43Å; F878-P880 WeakPolarHBondContact O-CD 3.5Å; P880-K882 VanDerWaalsContact C-N 3.34Å; P880-H884 PolarHBondContact O-ND1 3.12Å; P880-H884 VanDerWaalsContact O-ND1 3.09Å |
| 881 | N | 90.9 | Very high | 94.7 | Very high | 127 Ų | 127 | 44.6 Ų | 44.6 | 68% | 0.679 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -6.7 | 175.1 | -50.3 | -82.3 | 0 | 0 | 0 | 113.2 | D879 H884 | D879-N881 PolarHBondContact O-N 3.23Å; D879-N881 VanDerWaalsContact O-N 3.08Å; D879-N881 WeakPolarHBondContact OD1-CB 3.28Å; D879-N881 PolarHBondContact OD1-N 3.44Å; D879-N881 VanDerWaalsContact OD1-N 3.07Å; D879-N881 PolarHBondContact OD1-ND2 3.21Å; N881-H884 PolarHBondContact O-CE1 3.15Å; N881-H884 VanDerWaalsContact O-CE1 3.27Å |
| 882 | K | 91.8 | Very high | 94.7 | Very high | 161 Ų | 161 | 41.4 Ų | 41.4 | 70% | 0.7 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -122.2 | -27.7 | 179.2 | -63.6 | 178.9 | -172.8 | 166.7 | 0 | 112.9 | D879 P880 | D879-K882 HydrophobicContact CB-CB 4.43Å; D879-K882 HydrophobicContact CB-CD 4.33Å; D879-K882 HydrophobicContact CB-CG 4.45Å; D879-K882 PolarHBondContact O-N 3.04Å; D879-K882 WeakPolarHBondContact OD2-CD 3.31Å; D879-K882 WeakPolarHBondContact OD2-CE 3.35Å; D879-K882 IonicContact OD2-NZ 3.53Å; P880-K882 VanDerWaalsContact C-N 3.34Å |
| 883 | Y | 93.6 | Very high | 94.7 | Very high | 34 Ų | 34 | 43.4 Ų | 43.4 | 13% | 0.133 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -123.2 | 89.9 | 177.8 | -169.1 | -125.6 | 0 | 0 | 0 | 107.1 | I755 F869 F878 D879 N887 L888 D891 | I755-Y883 HydrophobicContact CB-CE1 4.48Å; F869-Y883 WeakPolarHBondContact CZ-O 3.32Å; F878-Y883 HydrophobicContact CB-CD1 4.26Å; F878-Y883 HydrophobicContact CD1-CD1 4Å; F878-Y883 HydrophobicContact CD1-CE1 4.38Å; F878-Y883 AromaticContact CD2-CD1 3.67Å; F878-Y883 HydrophobicContact CD2-CD1 3.67Å; F878-Y883 HydrophobicContact CD2-CG 4.32Å; F878-Y883 HydrophobicContact CE1-CD1 4.22Å; F878-Y883 HydrophobicContact CE1-CE1 4.49Å; F878-Y883 AromaticContact CE2-CD1 3.92Å; F878-Y883 HydrophobicContact CE2-CD1 3.92Å; F878-Y883 WeakPolarHBondContact CE2-O 3.39Å; F878-Y883 AromaticContact CG-CD1 3.73Å; F878-Y883 HydrophobicContact CG-CD1 3.73Å; F878-Y883 HydrophobicContact CZ-CD1 4.2Å; D879-Y883 PolarHBondContact O-N 3.46Å; Y883-N887 HydrophobicContact CD2-CB 3.72Å; Y883-N887 HydrophobicContact CE2-CB 3.79Å; Y883-L888 HydrophobicContact CD1-CB 4.37Å; Y883-L888 HydrophobicContact CE1-CB 3.9Å; Y883-L888 HydrophobicContact CE1-CD1 3.64Å; Y883-L888 HydrophobicContact CE1-CG 4.38Å; Y883-D891 WeakPolarHBondContact CE2-OD2 3.23Å; Y883-D891 WeakPolarHBondContact OH-CB 3.44Å; Y883-D891 PolarHBondContact OH-OD2 3.23Å; Y883-D891 VanDerWaalsContact OH-OD2 3.06Å |
| 884 | H | 92.8 | Very high | 94.6 | Very high | 81 Ų | 81 | 46.9 Ų | 46.9 | 38% | 0.375 | 23% | 0.233 | S | C | . | . | trans | -75.7 | 170.5 | -176.1 | -54.7 | -50.1 | 0 | 0 | 0 | 111.6 | P880 N881 E886 N887 L888 | P880-H884 PolarHBondContact O-ND1 3.12Å; P880-H884 VanDerWaalsContact O-ND1 3.09Å; N881-H884 PolarHBondContact O-CE1 3.15Å; N881-H884 VanDerWaalsContact O-CE1 3.27Å; H884-E886 VanDerWaalsContact C-N 3.32Å; H884-E886 WeakPolarHBondContact CB-OE2 3.36Å; H884-E886 PolarHBondContact O-N 3.26Å; H884-N887 PolarHBondContact O-N 3.43Å; H884-L888 PolarHBondContact O-N 2.9Å | ||
| 885 | M | 92.4 | Very high | 94.7 | Very high | 7 Ų | 7 | 41.8 Ų | 41.8 | 3% | 0.034 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.4 | -44.3 | -177.4 | -84.3 | -179 | -73.2 | 0 | 0 | 112.3 | V714 E807 M865 F869 N887 L888 F889 | V714-M885 HydrophobicContact CG1-SD 3.74Å; E807-M885 HydrophobicContact CB-CE 3.88Å; E807-M885 HydrophobicContact CG-CE 3.39Å; M865-M885 HydrophobicContact CE-CE 4.46Å; F869-M885 HydrophobicContact CB-CG 4.12Å; F869-M885 HydrophobicContact CB-SD 3.8Å; F869-M885 HydrophobicContact CD1-CE 4.26Å; F869-M885 HydrophobicContact CD1-CG 3.71Å; F869-M885 HydrophobicContact CD1-SD 4.13Å; F869-M885 HydrophobicContact CD2-CG 3.26Å; F869-M885 HydrophobicContact CD2-SD 4.09Å; F869-M885 HydrophobicContact CE1-CG 3.83Å; F869-M885 HydrophobicContact CE2-CB 4.29Å; F869-M885 HydrophobicContact CE2-CG 3.39Å; F869-M885 HydrophobicContact CG-CE 4.46Å; F869-M885 HydrophobicContact CG-CG 3.41Å; F869-M885 VanDerWaalsContact CG-CG 3.41Å; F869-M885 HydrophobicContact CG-SD 3.75Å; F869-M885 HydrophobicContact CZ-CB 4.43Å; F869-M885 HydrophobicContact CZ-CG 3.68Å; M885-N887 VanDerWaalsContact C-N 3.3Å; M885-N887 PolarHBondContact O-N 2.95Å; M885-L888 PolarHBondContact O-N 3.03Å; M885-F889 HydrophobicContact CB-CD2 4.21Å; M885-F889 HydrophobicContact CB-CE2 3.81Å; M885-F889 HydrophobicContact CG-CE2 4.19Å; M885-F889 WeakPolarHBondContact O-CD2 3.35Å; M885-F889 WeakPolarHBondContact O-CG 3.22Å; M885-F889 PolarHBondContact O-N 3.33Å |
| 886 | E | 92 | Very high | 94.7 | Very high | 51 Ų | 51 | 41.4 Ų | 41.4 | 24% | 0.238 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.7 | -43.9 | 179.2 | -59.9 | 86.3 | 167.1 | 0 | 0 | 111.1 | V805 S806 E807 H884 S890 | V805-E886 WeakPolarHBondContact O-CG 3.49Å; S806-E886 WeakPolarHBondContact CA-OE1 3.44Å; E807-E886 PolarHBondContact N-OE1 2.93Å; H884-E886 VanDerWaalsContact C-N 3.32Å; H884-E886 WeakPolarHBondContact CB-OE2 3.36Å; H884-E886 PolarHBondContact O-N 3.26Å; E886-S890 VanDerWaalsContact O-CB 3.3Å; E886-S890 WeakPolarHBondContact O-CB 3.25Å; E886-S890 PolarHBondContact O-N 3.43Å |
| 887 | N | 93.9 | Very high | 94.6 | Very high | 75 Ų | 75 | 44.7 Ų | 44.7 | 40% | 0.401 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -67.3 | -45.4 | 178.6 | -60.6 | 4.4 | 0 | 0 | 0 | 111.2 | Y883 H884 M885 S890 D891 | Y883-N887 HydrophobicContact CD2-CB 3.72Å; Y883-N887 HydrophobicContact CE2-CB 3.79Å; H884-N887 PolarHBondContact O-N 3.43Å; M885-N887 VanDerWaalsContact C-N 3.3Å; M885-N887 PolarHBondContact O-N 2.95Å; N887-S890 PolarHBondContact O-N 2.99Å; N887-D891 PolarHBondContact O-N 3.36Å |
| 888 | L | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.8 | -48.7 | 177.1 | 173.7 | 68.2 | 0 | 0 | 0 | 111.4 | I721 I755 F869 V872 L876 F878 Y883 H884 M885 L892 | I721-L888 HydrophobicContact CD1-CD2 4.21Å; I721-L888 HydrophobicContact CD1-CG 4.47Å; I755-L888 HydrophobicContact CG2-CD1 4.35Å; F869-L888 HydrophobicContact CD2-CD2 4.4Å; F869-L888 HydrophobicContact CE2-CD2 3.95Å; V872-L888 HydrophobicContact CG1-CD2 3.92Å; L876-L888 HydrophobicContact CD1-CD1 4.17Å; F878-L888 HydrophobicContact CE1-CD1 4.22Å; F878-L888 HydrophobicContact CE1-CD2 4.24Å; F878-L888 HydrophobicContact CZ-CD2 3.97Å; Y883-L888 HydrophobicContact CD1-CB 4.37Å; Y883-L888 HydrophobicContact CE1-CB 3.9Å; Y883-L888 HydrophobicContact CE1-CD1 3.64Å; Y883-L888 HydrophobicContact CE1-CG 4.38Å; H884-L888 PolarHBondContact O-N 2.9Å; M885-L888 PolarHBondContact O-N 3.03Å; L888-L892 HydrophobicContact CD1-CD1 3.7Å; L888-L892 HydrophobicContact CD1-CG 4.17Å; L888-L892 HydrophobicContact CG-CD1 4.04Å; L888-L892 WeakPolarHBondContact O-CB 3.39Å; L888-L892 VanDerWaalsContact O-CG 3.26Å; L888-L892 WeakPolarHBondContact O-CG 3.23Å; L888-L892 PolarHBondContact O-N 2.85Å |
| 889 | F | 97.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70.3 | -33.8 | 180 | -61.3 | -46.3 | 0 | 0 | 0 | 112.3 | V714 A717 L718 I721 V799 A802 C803 M885 K893 | V714-F889 HydrophobicContact CB-CE2 4.45Å; V714-F889 HydrophobicContact CG1-CE2 3.89Å; V714-F889 HydrophobicContact CG1-CZ 3.93Å; V714-F889 HydrophobicContact CG2-CE2 4.14Å; A717-F889 HydrophobicContact CB-CD1 4.26Å; A717-F889 HydrophobicContact CB-CE1 3.67Å; A717-F889 HydrophobicContact CB-CZ 4.12Å; L718-F889 HydrophobicContact CD2-CE1 4.13Å; L718-F889 HydrophobicContact CD2-CZ 3.88Å; L718-F889 HydrophobicContact CG-CE1 4.39Å; L718-F889 HydrophobicContact CG-CZ 3.94Å; I721-F889 HydrophobicContact CD1-CD1 3.98Å; I721-F889 HydrophobicContact CD1-CE1 3.73Å; V799-F889 HydrophobicContact CG1-CB 4.29Å; V799-F889 HydrophobicContact CG1-CD1 4.3Å; V799-F889 WeakPolarHBondContact CG1-O 3.25Å; A802-F889 HydrophobicContact CB-CD1 4.23Å; A802-F889 HydrophobicContact CB-CD2 3.77Å; A802-F889 HydrophobicContact CB-CE1 4.28Å; A802-F889 HydrophobicContact CB-CE2 3.84Å; A802-F889 HydrophobicContact CB-CG 3.99Å; A802-F889 HydrophobicContact CB-CZ 4.1Å; C803-F889 HydrophobicContact CB-CB 3.71Å; M885-F889 HydrophobicContact CB-CD2 4.21Å; M885-F889 HydrophobicContact CB-CE2 3.81Å; M885-F889 HydrophobicContact CG-CE2 4.19Å; M885-F889 WeakPolarHBondContact O-CD2 3.35Å; M885-F889 WeakPolarHBondContact O-CG 3.22Å; M885-F889 PolarHBondContact O-N 3.33Å; F889-K893 WeakPolarHBondContact O-CB 3.31Å; F889-K893 PolarHBondContact O-N 3.29Å |
| 890 | S | 95.6 | Very high | 94.9 | Very high | 49 Ų | 49 | 45.1 Ų | 45.1 | 34% | 0.343 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.5 | -52.9 | 173.9 | -164.9 | 0 | 0 | 0 | 0 | 111.4 | E886 N887 L892 K893 D894 | E886-S890 VanDerWaalsContact O-CB 3.3Å; E886-S890 WeakPolarHBondContact O-CB 3.25Å; E886-S890 PolarHBondContact O-N 3.43Å; N887-S890 PolarHBondContact O-N 2.99Å; S890-L892 VanDerWaalsContact C-N 3.3Å; S890-L892 PolarHBondContact O-N 2.8Å; S890-K893 PolarHBondContact O-N 3.32Å; S890-D894 WeakPolarHBondContact O-CB 3.31Å; S890-D894 VanDerWaalsContact O-CG 3.26Å; S890-D894 PolarHBondContact O-N 3.2Å |
| 891 | D | 96.7 | Very high | 94.9 | Very high | 33 Ų | 33 | 49.6 Ų | 49.6 | 18% | 0.176 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.3 | -36.9 | -179.5 | -84.6 | -25.8 | 0 | 0 | 0 | 112 | S756 T759 Y883 N887 F895 | S756-D891 VanDerWaalsContact CA-OD2 3.27Å; S756-D891 WeakPolarHBondContact CA-OD2 3.48Å; S756-D891 WeakPolarHBondContact CB-OD2 3.45Å; T759-D891 HydrophobicContact CG2-CB 4.04Å; T759-D891 VanDerWaalsContact CG2-O 3.3Å; T759-D891 WeakPolarHBondContact CG2-O 3.28Å; T759-D891 WeakPolarHBondContact CG2-OD1 3.32Å; Y883-D891 WeakPolarHBondContact CE2-OD2 3.23Å; Y883-D891 WeakPolarHBondContact OH-CB 3.44Å; Y883-D891 PolarHBondContact OH-OD2 3.23Å; Y883-D891 VanDerWaalsContact OH-OD2 3.06Å; N887-D891 PolarHBondContact O-N 3.36Å; D891-F895 VanDerWaalsContact O-CB 3.3Å; D891-F895 WeakPolarHBondContact O-CB 3.43Å; D891-F895 PolarHBondContact O-N 3.09Å |
| 892 | L | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -75.2 | -35.8 | 176.6 | -70.1 | -179.9 | 0 | 0 | 0 | 113.4 | I721 F727 I755 L758 F796 V799 L888 S890 H896 | I721-L892 HydrophobicContact CD1-CD1 3.42Å; I721-L892 VanDerWaalsContact CD1-CD1 3.42Å; I721-L892 HydrophobicContact CG1-CD1 3.67Å; I721-L892 HydrophobicContact CG2-CD1 4.38Å; F727-L892 HydrophobicContact CE2-CD2 3.82Å; F727-L892 HydrophobicContact CZ-CD2 3.6Å; I755-L892 HydrophobicContact CG2-CD2 3.62Å; I755-L892 HydrophobicContact CG2-CG 4.2Å; L758-L892 HydrophobicContact CD1-CD2 4.09Å; F796-L892 HydrophobicContact CE2-CB 4.17Å; F796-L892 HydrophobicContact CE2-CD1 4.34Å; F796-L892 HydrophobicContact CE2-CD2 4.17Å; F796-L892 HydrophobicContact CE2-CG 4.48Å; V799-L892 HydrophobicContact CG1-CB 4Å; L888-L892 HydrophobicContact CD1-CD1 3.7Å; L888-L892 HydrophobicContact CD1-CG 4.17Å; L888-L892 HydrophobicContact CG-CD1 4.04Å; L888-L892 WeakPolarHBondContact O-CB 3.39Å; L888-L892 VanDerWaalsContact O-CG 3.26Å; L888-L892 WeakPolarHBondContact O-CG 3.23Å; L888-L892 PolarHBondContact O-N 2.85Å; S890-L892 VanDerWaalsContact C-N 3.3Å; S890-L892 PolarHBondContact O-N 2.8Å; L892-H896 VanDerWaalsContact O-CB 3.31Å; L892-H896 WeakPolarHBondContact O-CB 3.32Å; L892-H896 PolarHBondContact O-N 3.28Å |
| 893 | K | 95.6 | Very high | 95.3 | Very high | 45 Ų | 45 | 36.6 Ų | 36.6 | 20% | 0.196 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.3 | -52.4 | 170.5 | 172.7 | -170.8 | 170.4 | -176.5 | 0 | 110 | V799 E800 C803 F889 S890 F895 H896 V897 | V799-K893 HydrophobicContact CG1-CB 4.21Å; E800-K893 HydrophobicContact CB-CD 4.27Å; E800-K893 HydrophobicContact CB-CG 4.31Å; E800-K893 HydrophobicContact CG-CD 4.06Å; E800-K893 WeakPolarHBondContact OE1-CE 3.46Å; E800-K893 IonicContact OE1-NZ 3.53Å; E800-K893 PolarHBondContact OE1-NZ 2.9Å; C803-K893 HydrophobicContact CB-CD 4.4Å; C803-K893 VanDerWaalsContact SG-CD 3.51Å; F889-K893 WeakPolarHBondContact O-CB 3.31Å; F889-K893 PolarHBondContact O-N 3.29Å; S890-K893 PolarHBondContact O-N 3.32Å; K893-F895 VanDerWaalsContact C-N 3.26Å; K893-F895 PolarHBondContact O-N 3.44Å; K893-H896 PolarHBondContact O-N 3.35Å; K893-V897 HydrophobicContact CG-CG2 4.2Å; K893-V897 WeakPolarHBondContact O-CG2 3.38Å; K893-V897 PolarHBondContact O-N 2.78Å |
| 894 | D | 95.7 | Very high | 95.2 | Very high | 77 Ų | 77 | 37.4 Ų | 37.4 | 41% | 0.412 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61 | -40.3 | -177.1 | -69 | -20.7 | 0 | 0 | 0 | 110.4 | T759 S890 A898 | T759-D894 HydrophobicContact CG2-CB 4Å; S890-D894 WeakPolarHBondContact O-CB 3.31Å; S890-D894 VanDerWaalsContact O-CG 3.26Å; S890-D894 PolarHBondContact O-N 3.2Å; D894-A898 WeakPolarHBondContact O-CB 3.45Å; D894-A898 PolarHBondContact O-N 3.06Å |
| 895 | F | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.6 | -45.2 | 169.5 | 175.3 | -114.8 | 0 | 0 | 0 | 113.4 | F727 I730 L758 L761 L774 F792 D891 K893 A898 F899 | F727-F895 HydrophobicContact CE2-CE1 4.48Å; I730-F895 HydrophobicContact CG2-CE1 4.05Å; I730-F895 HydrophobicContact CG2-CZ 3.7Å; L758-F895 HydrophobicContact CB-CB 4Å; L758-F895 HydrophobicContact CB-CD1 4.31Å; L758-F895 HydrophobicContact CB-CD2 3.72Å; L758-F895 HydrophobicContact CB-CE2 4.3Å; L758-F895 HydrophobicContact CB-CG 3.73Å; L758-F895 HydrophobicContact CD1-CD1 3.95Å; L758-F895 HydrophobicContact CD1-CE1 4.19Å; L758-F895 HydrophobicContact CD1-CG 4.22Å; L758-F895 HydrophobicContact CD2-CE2 4.4Å; L758-F895 HydrophobicContact CD2-CZ 4.45Å; L761-F895 HydrophobicContact CD1-CD2 4.39Å; L761-F895 HydrophobicContact CD1-CE2 3.79Å; L774-F895 HydrophobicContact CD1-CE2 3.75Å; L774-F895 HydrophobicContact CD1-CZ 4.49Å; F792-F895 HydrophobicContact CE1-CD1 4.18Å; F792-F895 AromaticContact CE1-CE1 3.55Å; F792-F895 HydrophobicContact CE1-CE1 3.55Å; F792-F895 HydrophobicContact CE1-CZ 4.27Å; F792-F895 HydrophobicContact CZ-CD1 4.07Å; F792-F895 AromaticContact CZ-CE1 3.63Å; F792-F895 HydrophobicContact CZ-CE1 3.63Å; D891-F895 VanDerWaalsContact O-CB 3.3Å; D891-F895 WeakPolarHBondContact O-CB 3.43Å; D891-F895 PolarHBondContact O-N 3.09Å; K893-F895 VanDerWaalsContact C-N 3.26Å; K893-F895 PolarHBondContact O-N 3.44Å; F895-A898 PolarHBondContact O-N 3.29Å; F895-F899 HydrophobicContact CE2-CD2 4.41Å; F895-F899 AromaticContact CZ-CD2 3.92Å; F895-F899 HydrophobicContact CZ-CD2 3.92Å; F895-F899 VanDerWaalsContact O-CB 3.27Å; F895-F899 WeakPolarHBondContact O-CB 3.47Å; F895-F899 PolarHBondContact O-N 3.29Å |
| 896 | H | 96.3 | Very high | 95.2 | Very high | 8 Ų | 8 | 36.9 Ų | 36.9 | 4% | 0.037 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.5 | -41.8 | -179.1 | -165.7 | -127.4 | 0 | 0 | 0 | 112.7 | F792 L793 F796 L892 K893 F899 K900 | F792-H896 AromaticContact CE1-CD2 3.68Å; F792-H896 AromaticContact CZ-CD2 3.83Å; F792-H896 PolarHBondContact O-CD2 3.09Å; F792-H896 PolarHBondContact O-NE2 3.19Å; L793-H896 PolarHBondContact O-CE1 3.37Å; L793-H896 PolarHBondContact O-NE2 3.36Å; F796-H896 HydrophobicContact CD2-CB 4.25Å; F796-H896 PolarHBondContact O-CE1 3.43Å; L892-H896 VanDerWaalsContact O-CB 3.31Å; L892-H896 WeakPolarHBondContact O-CB 3.32Å; L892-H896 PolarHBondContact O-N 3.28Å; K893-H896 PolarHBondContact O-N 3.35Å; H896-F899 PolarHBondContact O-N 2.79Å; H896-K900 WeakPolarHBondContact CE1-CE 3.43Å; H896-K900 PolarHBondContact CE1-NZ 3.2Å; H896-K900 WeakPolarHBondContact ND1-CE 3.48Å; H896-K900 PolarHBondContact ND1-NZ 3.23Å; H896-K900 WeakPolarHBondContact O-CB 3.34Å; H896-K900 WeakPolarHBondContact O-CG 3.45Å; H896-K900 PolarHBondContact O-N 2.86Å |
| 897 | V | 95.2 | Very high | 95 | Very high | 70 Ų | 70 | 37.2 Ų | 37.2 | 42% | 0.424 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.7 | -45.5 | 173.8 | 174.7 | 0 | 0 | 0 | 0 | 110.4 | K893 F899 K900 R901 | K893-V897 HydrophobicContact CG-CG2 4.2Å; K893-V897 WeakPolarHBondContact O-CG2 3.38Å; K893-V897 PolarHBondContact O-N 2.78Å; V897-F899 VanDerWaalsContact C-N 3.3Å; V897-F899 PolarHBondContact O-N 3.43Å; V897-K900 PolarHBondContact O-N 2.97Å; V897-R901 WeakPolarHBondContact O-CB 3.46Å; V897-R901 PolarHBondContact O-N 3.37Å |
| 898 | A | 95.7 | Very high | 94.8 | Very high | 6 Ų | 6 | 39.5 Ų | 39.5 | 5% | 0.05 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.3 | -36.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E762 L774 D894 F895 S902 | E762-A898 VanDerWaalsContact OE2-CB 3.3Å; E762-A898 WeakPolarHBondContact OE2-CB 3.34Å; L774-A898 HydrophobicContact CD2-CB 3.65Å; D894-A898 WeakPolarHBondContact O-CB 3.45Å; D894-A898 PolarHBondContact O-N 3.06Å; F895-A898 PolarHBondContact O-N 3.29Å; A898-S902 VanDerWaalsContact O-CB 3.27Å; A898-S902 WeakPolarHBondContact O-CB 3.43Å; A898-S902 PolarHBondContact O-N 3.14Å; A898-S902 PolarHBondContact O-OG 3.27Å |
| 899 | F | 97.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.7 | -51.4 | 176.4 | -171 | -74.9 | 0 | 0 | 0 | 111 | I730 L774 I778 L781 V789 F792 L793 F895 H896 V897 R901 S902 A903 | I730-F899 HydrophobicContact CD1-CD2 4.42Å; I730-F899 HydrophobicContact CD1-CE2 3.68Å; I730-F899 HydrophobicContact CD1-CZ 4.06Å; I730-F899 HydrophobicContact CG1-CE2 4.3Å; L774-F899 HydrophobicContact CD1-CD2 4.09Å; I778-F899 HydrophobicContact CD1-CD1 4.28Å; I778-F899 HydrophobicContact CD1-CD2 3.9Å; I778-F899 HydrophobicContact CD1-CE1 4.47Å; I778-F899 HydrophobicContact CD1-CE2 4.12Å; I778-F899 HydrophobicContact CD1-CG 3.99Å; I778-F899 HydrophobicContact CD1-CZ 4.4Å; I778-F899 HydrophobicContact CG1-CD2 3.84Å; I778-F899 HydrophobicContact CG1-CE1 4.33Å; I778-F899 HydrophobicContact CG1-CE2 3.56Å; I778-F899 HydrophobicContact CG1-CG 4.34Å; I778-F899 HydrophobicContact CG1-CZ 3.83Å; L781-F899 HydrophobicContact CD1-CE2 4.39Å; V789-F899 HydrophobicContact CG1-CE1 4.23Å; V789-F899 HydrophobicContact CG1-CZ 4.36Å; F792-F899 HydrophobicContact CB-CE1 4.42Å; F792-F899 HydrophobicContact CB-CZ 4.41Å; F792-F899 AromaticContact CD1-CD1 3.78Å; F792-F899 HydrophobicContact CD1-CD1 3.78Å; F792-F899 AromaticContact CD1-CD2 3.85Å; F792-F899 HydrophobicContact CD1-CD2 3.85Å; F792-F899 AromaticContact CD1-CE1 3.77Å; F792-F899 HydrophobicContact CD1-CE1 3.77Å; F792-F899 AromaticContact CD1-CE2 3.83Å; F792-F899 HydrophobicContact CD1-CE2 3.83Å; F792-F899 AromaticContact CD1-CG 3.83Å; F792-F899 HydrophobicContact CD1-CG 3.83Å; F792-F899 AromaticContact CD1-CZ 3.79Å; F792-F899 HydrophobicContact CD1-CZ 3.79Å; F792-F899 HydrophobicContact CE1-CB 4.3Å; F792-F899 HydrophobicContact CE1-CD1 4.32Å; F792-F899 AromaticContact CE1-CD2 3.94Å; F792-F899 HydrophobicContact CE1-CD2 3.94Å; F792-F899 HydrophobicContact CE1-CE2 4.31Å; F792-F899 AromaticContact CE1-CG 3.95Å; F792-F899 HydrophobicContact CE1-CG 3.95Å; L793-F899 HydrophobicContact CD2-CD1 4.01Å; L793-F899 HydrophobicContact CD2-CE1 4.15Å; F895-F899 HydrophobicContact CE2-CD2 4.41Å; F895-F899 AromaticContact CZ-CD2 3.92Å; F895-F899 HydrophobicContact CZ-CD2 3.92Å; F895-F899 VanDerWaalsContact O-CB 3.27Å; F895-F899 WeakPolarHBondContact O-CB 3.47Å; F895-F899 PolarHBondContact O-N 3.29Å; H896-F899 PolarHBondContact O-N 2.79Å; V897-F899 VanDerWaalsContact C-N 3.3Å; V897-F899 PolarHBondContact O-N 3.43Å; F899-R901 VanDerWaalsContact C-N 3.32Å; F899-R901 PolarHBondContact O-N 3.31Å; F899-S902 PolarHBondContact O-N 2.97Å; F899-A903 VanDerWaalsContact O-CB 3.25Å; F899-A903 WeakPolarHBondContact O-CB 3.43Å; F899-A903 PolarHBondContact O-N 3.46Å |
| 900 | K | 95 | Very high | 93.7 | Very high | 87 Ų | 87 | 47.9 Ų | 47.9 | 38% | 0.378 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -53.5 | -47.7 | 174.7 | -81.2 | 171.7 | 166.4 | 165.3 | 0 | 111.5 | L793 H896 V897 S904 | L793-K900 HydrophobicContact CD2-CB 4.36Å; L793-K900 HydrophobicContact CD2-CG 3.76Å; L793-K900 WeakPolarHBondContact O-CE 3.28Å; L793-K900 PolarHBondContact O-NZ 3.21Å; H896-K900 WeakPolarHBondContact CE1-CE 3.43Å; H896-K900 PolarHBondContact CE1-NZ 3.2Å; H896-K900 WeakPolarHBondContact ND1-CE 3.48Å; H896-K900 PolarHBondContact ND1-NZ 3.23Å; H896-K900 WeakPolarHBondContact O-CB 3.34Å; H896-K900 WeakPolarHBondContact O-CG 3.45Å; H896-K900 PolarHBondContact O-N 2.86Å; V897-K900 PolarHBondContact O-N 2.97Å; K900-S904 WeakPolarHBondContact O-CB 3.15Å; K900-S904 PolarHBondContact O-N 3.21Å |
| 901 | R | 94.4 | Very high | 93 | Very high | 130 Ų | 130 | 47.3 Ų | 47.3 | 49% | 0.491 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.6 | -56.2 | 174.9 | 177.2 | 172.3 | 65.7 | 175.5 | -1.5 | 111.6 | E762 V897 F899 A903 S904 D905 | E762-R901 IonicContact OE1-NH2 3.78Å; E762-R901 PolarHBondContact OE1-NH2 3.05Å; E762-R901 IonicContact OE2-CZ 2.68Å; E762-R901 IonicContact OE2-NH2 2.67Å; E762-R901 PolarHBondContact OE2-NH2 3.04Å; V897-R901 WeakPolarHBondContact O-CB 3.46Å; V897-R901 PolarHBondContact O-N 3.37Å; F899-R901 VanDerWaalsContact C-N 3.32Å; F899-R901 PolarHBondContact O-N 3.31Å; R901-A903 VanDerWaalsContact C-N 3.29Å; R901-A903 PolarHBondContact O-N 3.41Å; R901-S904 WeakPolarHBondContact O-CA 3.41Å; R901-S904 WeakPolarHBondContact O-CB 3.47Å; R901-S904 PolarHBondContact O-N 3.38Å; R901-S904 VanDerWaalsContact O-N 3.08Å; R901-D905 WeakPolarHBondContact CG-OD2 3.3Å; R901-D905 VanDerWaalsContact O-CG 3.26Å; R901-D905 PolarHBondContact O-N 3.33Å |
| 902 | S | 95.7 | Very high | 92.1 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.014 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.2 | -32.9 | -176.4 | -56 | 0 | 0 | 0 | 0 | 112.7 | H775 A898 F899 L906 | H775-S902 PolarHBondContact CE1-OG 2.86Å; A898-S902 VanDerWaalsContact O-CB 3.27Å; A898-S902 WeakPolarHBondContact O-CB 3.43Å; A898-S902 PolarHBondContact O-N 3.14Å; A898-S902 PolarHBondContact O-OG 3.27Å; F899-S902 PolarHBondContact O-N 2.97Å; S902-L906 WeakPolarHBondContact O-CG 3.41Å; S902-L906 PolarHBondContact O-N 3.16Å |
| 903 | A | 94.3 | Very high | 91.4 | Very high | 13 Ų | 13 | 56 Ų | 56 | 11% | 0.107 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.1 | -41.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I778 L793 F899 R901 D905 L906 A907 | I778-A903 HydrophobicContact CD1-CB 4.39Å; I778-A903 HydrophobicContact CG2-CB 4.15Å; L793-A903 HydrophobicContact CD2-CB 4.13Å; F899-A903 VanDerWaalsContact O-CB 3.25Å; F899-A903 WeakPolarHBondContact O-CB 3.43Å; F899-A903 PolarHBondContact O-N 3.46Å; R901-A903 VanDerWaalsContact C-N 3.29Å; R901-A903 PolarHBondContact O-N 3.41Å; A903-D905 VanDerWaalsContact C-N 3.34Å; A903-L906 PolarHBondContact O-N 3.38Å; A903-A907 WeakPolarHBondContact O-CB 3.42Å; A903-A907 PolarHBondContact O-N 3.07Å |
| 904 | S | 92.6 | Very high | 90.6 | Very high | 51 Ų | 51 | 58.7 Ų | 58.7 | 36% | 0.357 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 172.3 | -169.6 | 0 | 0 | 0 | 0 | 111.7 | K900 R901 A907 K908 | K900-S904 WeakPolarHBondContact O-CB 3.15Å; K900-S904 PolarHBondContact O-N 3.21Å; R901-S904 WeakPolarHBondContact O-CA 3.41Å; R901-S904 WeakPolarHBondContact O-CB 3.47Å; R901-S904 PolarHBondContact O-N 3.38Å; R901-S904 VanDerWaalsContact O-N 3.08Å; S904-A907 PolarHBondContact O-N 2.83Å; S904-K908 WeakPolarHBondContact O-CB 3.4Å; S904-K908 VanDerWaalsContact O-CG 3.24Å; S904-K908 WeakPolarHBondContact O-CG 3.4Å; S904-K908 PolarHBondContact O-N 2.95Å; S904-K908 VanDerWaalsContact OG-CE 3.29Å; S904-K908 WeakPolarHBondContact OG-CE 3.35Å; S904-K908 PolarHBondContact OG-NZ 3.44Å |
| 905 | D | 91.6 | Very high | 89.7 | Confident | 64 Ų | 64 | 60.3 Ų | 60.3 | 34% | 0.342 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.4 | -38.2 | -179.9 | -65.2 | -24.3 | 0 | 0 | 0 | 112 | R901 A903 K908 K909 | R901-D905 WeakPolarHBondContact CG-OD2 3.3Å; R901-D905 VanDerWaalsContact O-CG 3.26Å; R901-D905 PolarHBondContact O-N 3.33Å; A903-D905 VanDerWaalsContact C-N 3.34Å; D905-K908 IonicContact OD1-NZ 3.98Å; D905-K909 WeakPolarHBondContact O-CB 3.36Å; D905-K909 PolarHBondContact O-N 2.87Å |
| 906 | L | 92 | Very high | 88.8 | Confident | 12 Ų | 12 | 65.2 Ų | 65.2 | 6% | 0.063 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.9 | -44.2 | 169.2 | -72.7 | 170.4 | 0 | 0 | 0 | 112.3 | H775 I778 S902 A903 K909 H910 | H775-L906 WeakPolarHBondContact O-CD1 3.44Å; I778-L906 HydrophobicContact CB-CD1 3.77Å; I778-L906 HydrophobicContact CG2-CD1 3.63Å; S902-L906 WeakPolarHBondContact O-CG 3.41Å; S902-L906 PolarHBondContact O-N 3.16Å; A903-L906 PolarHBondContact O-N 3.38Å; L906-K909 PolarHBondContact O-N 3.46Å; L906-H910 PolarHBondContact O-N 2.9Å |
| 907 | A | 89.4 | Confident | 88.1 | Confident | 58 Ų | 58 | 70.9 Ų | 70.9 | 48% | 0.479 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A903 S904 K909 H910 A911 | A903-A907 WeakPolarHBondContact O-CB 3.42Å; A903-A907 PolarHBondContact O-N 3.07Å; S904-A907 PolarHBondContact O-N 2.83Å; A907-K909 PolarHBondContact O-N 3.15Å; A907-H910 PolarHBondContact O-N 2.89Å; A907-A911 WeakPolarHBondContact O-CB 3.35Å; A907-A911 PolarHBondContact O-N 2.69Å |
| 908 | K | 88.7 | Confident | 87.3 | Confident | 124 Ų | 124 | 73.2 Ų | 73.2 | 54% | 0.539 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 173 | -72.9 | 166.3 | -170 | 161.1 | 0 | 111.6 | S904 D905 A911 L912 | S904-K908 WeakPolarHBondContact O-CB 3.4Å; S904-K908 VanDerWaalsContact O-CG 3.24Å; S904-K908 WeakPolarHBondContact O-CG 3.4Å; S904-K908 PolarHBondContact O-N 2.95Å; S904-K908 VanDerWaalsContact OG-CE 3.29Å; S904-K908 WeakPolarHBondContact OG-CE 3.35Å; S904-K908 PolarHBondContact OG-NZ 3.44Å; D905-K908 IonicContact OD1-NZ 3.98Å; K908-A911 PolarHBondContact O-N 3.43Å; K908-L912 VanDerWaalsContact O-CB 3.27Å; K908-L912 WeakPolarHBondContact O-CB 3.45Å; K908-L912 PolarHBondContact O-N 3.08Å |
| 909 | K | 86.4 | Confident | 86.3 | Confident | 88 Ų | 88 | 75.4 Ų | 75.4 | 38% | 0.383 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.3 | -50.4 | 176.2 | 179.5 | 178.3 | 172.7 | 178.9 | 0 | 111.5 | D905 L906 A907 A911 L912 E913 | D905-K909 WeakPolarHBondContact O-CB 3.36Å; D905-K909 PolarHBondContact O-N 2.87Å; L906-K909 PolarHBondContact O-N 3.46Å; A907-K909 PolarHBondContact O-N 3.15Å; K909-A911 PolarHBondContact O-N 3.08Å; K909-L912 PolarHBondContact O-N 2.99Å; K909-E913 WeakPolarHBondContact CE-OE1 3.4Å; K909-E913 WeakPolarHBondContact CG-OE1 3.44Å; K909-E913 WeakPolarHBondContact O-CB 3.46Å; K909-E913 WeakPolarHBondContact O-CG 3.3Å; K909-E913 PolarHBondContact O-N 3.47Å |
| 910 | H | 85.2 | Confident | 85.3 | Confident | 88 Ų | 88 | 83 Ų | 83 | 41% | 0.407 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 177.4 | -65.7 | 169.4 | 0 | 0 | 0 | 111.7 | L906 A907 L912 E913 E914 | L906-H910 PolarHBondContact O-N 2.9Å; A907-H910 PolarHBondContact O-N 2.89Å; H910-L912 PolarHBondContact O-N 3.35Å; H910-E913 PolarHBondContact O-N 3.45Å; H910-E914 WeakPolarHBondContact O-CB 3.36Å; H910-E914 PolarHBondContact O-N 2.7Å |
| 911 | A | 80.4 | Confident | 84.5 | Confident | 38 Ų | 38 | 83.2 Ų | 83.2 | 31% | 0.314 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.6 | -35.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A907 K908 K909 K915 | A907-A911 WeakPolarHBondContact O-CB 3.35Å; A907-A911 PolarHBondContact O-N 2.69Å; K908-A911 PolarHBondContact O-N 3.43Å; K909-A911 PolarHBondContact O-N 3.08Å; A911-K915 WeakPolarHBondContact O-CB 3.45Å; A911-K915 PolarHBondContact O-N 2.92Å |
| 912 | L | 78.1 | Confident | 83.5 | Confident | 110 Ų | 110 | 79.5 Ų | 79.5 | 58% | 0.576 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -69.2 | -43 | 173.1 | -178.6 | 63.4 | 0 | 0 | 0 | 111.4 | K908 K909 H910 K915 M916 | K908-L912 VanDerWaalsContact O-CB 3.27Å; K908-L912 WeakPolarHBondContact O-CB 3.45Å; K908-L912 PolarHBondContact O-N 3.08Å; K909-L912 PolarHBondContact O-N 2.99Å; H910-L912 PolarHBondContact O-N 3.35Å; L912-K915 PolarHBondContact O-N 3.3Å; L912-M916 HydrophobicContact CD1-CG 4.17Å; L912-M916 HydrophobicContact CG-CG 4.43Å; L912-M916 VanDerWaalsContact O-CB 3.23Å; L912-M916 WeakPolarHBondContact O-CB 3.48Å; L912-M916 WeakPolarHBondContact O-CG 3.45Å; L912-M916 PolarHBondContact O-N 3.14Å |
| 913 | E | 81.5 | Confident | 82.3 | Confident | 106 Ų | 106 | 86.2 Ų | 86.2 | 50% | 0.495 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 175.3 | -73.2 | 171.1 | -177.8 | 0 | 0 | 111.4 | K909 H910 K917 | K909-E913 WeakPolarHBondContact CE-OE1 3.4Å; K909-E913 WeakPolarHBondContact CG-OE1 3.44Å; K909-E913 WeakPolarHBondContact O-CB 3.46Å; K909-E913 WeakPolarHBondContact O-CG 3.3Å; K909-E913 PolarHBondContact O-N 3.47Å; H910-E913 PolarHBondContact O-N 3.45Å; E913-K917 WeakPolarHBondContact O-CB 3.27Å; E913-K917 PolarHBondContact O-N 2.99Å |
| 914 | E | 79.6 | Confident | 81.4 | Confident | 101 Ų | 101 | 88 Ų | 88 | 47% | 0.472 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -68.7 | -42.2 | 174.6 | -168.1 | -175 | 168.7 | 0 | 0 | 111.9 | H910 K917 K918 | H910-E914 WeakPolarHBondContact O-CB 3.36Å; H910-E914 PolarHBondContact O-N 2.7Å; E914-K917 CarbonylContact O-C 3.54Å; E914-K917 WeakPolarHBondContact O-CB 3.39Å; E914-K917 PolarHBondContact O-N 2.96Å; E914-K918 HydrophobicContact CG-CD 4.32Å; E914-K918 HydrophobicContact CG-CG 4.49Å; E914-K918 WeakPolarHBondContact O-CB 3.48Å; E914-K918 WeakPolarHBondContact O-CG 3.47Å; E914-K918 PolarHBondContact O-N 3.24Å; E914-K918 WeakPolarHBondContact OE1-CE 3.48Å; E914-K918 IonicContact OE1-NZ 2.66Å; E914-K918 PolarHBondContact OE1-NZ 2.97Å |
| 915 | K | 78 | Confident | 80.4 | Confident | 110 Ų | 110 | 91.1 Ų | 91.1 | 48% | 0.478 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 174.7 | -176.6 | 174.3 | -178.7 | 174.1 | 0 | 111.1 | A911 L912 K917 K918 A919 | A911-K915 WeakPolarHBondContact O-CB 3.45Å; A911-K915 PolarHBondContact O-N 2.92Å; L912-K915 PolarHBondContact O-N 3.3Å; K915-K917 PolarHBondContact O-N 3.45Å; K915-K918 PolarHBondContact O-N 2.87Å; K915-A919 WeakPolarHBondContact O-CB 3.23Å; K915-A919 PolarHBondContact O-N 3.28Å |
| 916 | M | 76.3 | Confident | 79.5 | Confident | 103 Ų | 103 | 94.8 Ų | 94.8 | 51% | 0.507 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.3 | -23.3 | 175 | -73.9 | -65.4 | -70.7 | 0 | 0 | 112.7 | L912 R920 | L912-M916 HydrophobicContact CD1-CG 4.17Å; L912-M916 HydrophobicContact CG-CG 4.43Å; L912-M916 VanDerWaalsContact O-CB 3.23Å; L912-M916 WeakPolarHBondContact O-CB 3.48Å; L912-M916 WeakPolarHBondContact O-CG 3.45Å; L912-M916 PolarHBondContact O-N 3.14Å; M916-R920 PolarHBondContact O-NE 3.31Å; M916-R920 PolarHBondContact O-NH2 3.17Å |
| 917 | K | 81.9 | Confident | 78.3 | Confident | 127 Ų | 127 | 98.9 Ų | 98.9 | 55% | 0.552 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -78.5 | -54.3 | 169.8 | -174.8 | -174.4 | 172.4 | -169.8 | 0 | 110.8 | E913 E914 K915 A919 R920 D921 | E913-K917 WeakPolarHBondContact O-CB 3.27Å; E913-K917 PolarHBondContact O-N 2.99Å; E914-K917 CarbonylContact O-C 3.54Å; E914-K917 WeakPolarHBondContact O-CB 3.39Å; E914-K917 PolarHBondContact O-N 2.96Å; K915-K917 PolarHBondContact O-N 3.45Å; K917-A919 VanDerWaalsContact C-N 3.3Å; K917-A919 PolarHBondContact O-N 3.15Å; K917-R920 WeakPolarHBondContact O-CA 3.46Å; K917-R920 WeakPolarHBondContact O-CB 3.25Å; K917-R920 PolarHBondContact O-N 3.41Å; K917-D921 PolarHBondContact O-N 3.47Å |
| 918 | K | 79.7 | Confident | 77.3 | Confident | 120 Ų | 120 | 104.2 Ų | 104.2 | 52% | 0.522 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -56.5 | -39.2 | 176.7 | -76.3 | -179.9 | -178.7 | 165.6 | 0 | 112.6 | E914 K915 D921 E922 | E914-K918 HydrophobicContact CG-CD 4.32Å; E914-K918 HydrophobicContact CG-CG 4.49Å; E914-K918 WeakPolarHBondContact O-CB 3.48Å; E914-K918 WeakPolarHBondContact O-CG 3.47Å; E914-K918 PolarHBondContact O-N 3.24Å; E914-K918 WeakPolarHBondContact OE1-CE 3.48Å; E914-K918 IonicContact OE1-NZ 2.66Å; E914-K918 PolarHBondContact OE1-NZ 2.97Å; K915-K918 PolarHBondContact O-N 2.87Å; K918-D921 PolarHBondContact O-N 2.95Å; K918-E922 WeakPolarHBondContact O-CA 3.28Å; K918-E922 WeakPolarHBondContact O-CB 3.34Å; K918-E922 PolarHBondContact O-N 3.12Å |
| 919 | A | 73.5 | Confident | 76.2 | Confident | 51 Ų | 51 | 101.9 Ų | 101.9 | 42% | 0.421 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.5 | -37.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K915 K917 Q923 | K915-A919 WeakPolarHBondContact O-CB 3.23Å; K915-A919 PolarHBondContact O-N 3.28Å; K917-A919 VanDerWaalsContact C-N 3.3Å; K917-A919 PolarHBondContact O-N 3.15Å; A919-Q923 WeakPolarHBondContact O-CB 3.19Å; A919-Q923 PolarHBondContact O-N 2.9Å |
| 920 | R | 76.2 | Confident | 74.9 | Confident | 160 Ų | 160 | 106.1 Ų | 106.1 | 60% | 0.604 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.2 | -43.3 | 172.4 | -82.7 | 178.3 | -80.7 | 173.4 | -6.6 | 111.9 | M916 K917 A924 | M916-R920 PolarHBondContact O-NE 3.31Å; M916-R920 PolarHBondContact O-NH2 3.17Å; K917-R920 WeakPolarHBondContact O-CA 3.46Å; K917-R920 WeakPolarHBondContact O-CB 3.25Å; K917-R920 PolarHBondContact O-N 3.41Å; R920-A924 VanDerWaalsContact O-CB 3.31Å; R920-A924 WeakPolarHBondContact O-CB 3.29Å; R920-A924 PolarHBondContact O-N 3.18Å |
| 921 | D | 78.2 | Confident | 73.7 | Confident | 92 Ų | 92 | 106.7 Ų | 106.7 | 49% | 0.492 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.6 | -40 | 179.5 | -63.6 | -19.8 | 0 | 0 | 0 | 111.5 | K917 K918 A924 R925 | K917-D921 PolarHBondContact O-N 3.47Å; K918-D921 PolarHBondContact O-N 2.95Å; D921-A924 PolarHBondContact O-N 3.36Å; D921-R925 WeakPolarHBondContact O-CB 3.44Å; D921-R925 PolarHBondContact O-N 3.31Å |
| 922 | E | 73.6 | Confident | 72.5 | Confident | 52 Ų | 52 | 109.9 Ų | 109.9 | 24% | 0.243 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -72 | -40.1 | 175.6 | 180 | 68.6 | -162.4 | 0 | 0 | 111.5 | K918 A924 R925 R926 | K918-E922 WeakPolarHBondContact O-CA 3.28Å; K918-E922 WeakPolarHBondContact O-CB 3.34Å; K918-E922 PolarHBondContact O-N 3.12Å; E922-A924 VanDerWaalsContact C-N 3.29Å; E922-A924 PolarHBondContact O-N 2.89Å; E922-R925 VanDerWaalsContact CD-NH2 3.29Å; E922-R925 PolarHBondContact O-N 3.2Å; E922-R925 IonicContact OE1-CZ 2.8Å; E922-R925 IonicContact OE1-NH1 2.69Å; E922-R925 IonicContact OE1-NH2 3.6Å; E922-R925 PolarHBondContact OE1-NH2 3.44Å; E922-R925 IonicContact OE2-CZ 3.56Å; E922-R925 IonicContact OE2-NH1 3.06Å; E922-R925 PolarHBondContact OE2-NH1 2.84Å; E922-R925 IonicContact OE2-NH2 3.4Å; E922-R925 PolarHBondContact OE2-NH2 2.58Å; E922-R926 HydrophobicContact CG-CG 4.25Å; E922-R926 WeakPolarHBondContact O-CB 3.35Å; E922-R926 WeakPolarHBondContact O-CG 3.47Å; E922-R926 PolarHBondContact O-N 2.64Å; E922-R926 WeakPolarHBondContact OE1-CG 3.46Å; E922-R926 IonicContact OE1-CZ 2.82Å; E922-R926 IonicContact OE1-NE 3.34Å; E922-R926 PolarHBondContact OE1-NE 2.93Å; E922-R926 IonicContact OE1-NH2 2.68Å |
| 923 | Q | 71.3 | Confident | 71.1 | Confident | 143 Ų | 143 | 111.1 Ų | 111.1 | 67% | 0.668 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.2 | -39.8 | 172.9 | -174.5 | 175.5 | 10.5 | 0 | 0 | 110.3 | A919 Q927 | A919-Q923 WeakPolarHBondContact O-CB 3.19Å; A919-Q923 PolarHBondContact O-N 2.9Å; Q923-Q927 WeakPolarHBondContact O-CB 3.27Å; Q923-Q927 PolarHBondContact O-N 2.69Å |
| 924 | A | 75.1 | Confident | 69.5 | Low | 49 Ų | 49 | 110.1 Ų | 110.1 | 41% | 0.405 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.3 | -35.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R920 D921 E922 R928 | R920-A924 VanDerWaalsContact O-CB 3.31Å; R920-A924 WeakPolarHBondContact O-CB 3.29Å; R920-A924 PolarHBondContact O-N 3.18Å; D921-A924 PolarHBondContact O-N 3.36Å; E922-A924 VanDerWaalsContact C-N 3.29Å; E922-A924 PolarHBondContact O-N 2.89Å; A924-R928 WeakPolarHBondContact O-CG 3.44Å; A924-R928 PolarHBondContact O-N 2.9Å |
| 925 | R | 72.2 | Confident | 68 | Low | 117 Ų | 117 | 111.3 Ų | 111.3 | 44% | 0.442 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -70.7 | -50.1 | 175.3 | -162 | -173.3 | 82.4 | -123.1 | -15.7 | 111.6 | D921 E922 Q927 R928 E929 | D921-R925 WeakPolarHBondContact O-CB 3.44Å; D921-R925 PolarHBondContact O-N 3.31Å; E922-R925 VanDerWaalsContact CD-NH2 3.29Å; E922-R925 PolarHBondContact O-N 3.2Å; E922-R925 IonicContact OE1-CZ 2.8Å; E922-R925 IonicContact OE1-NH1 2.69Å; E922-R925 IonicContact OE1-NH2 3.6Å; E922-R925 PolarHBondContact OE1-NH2 3.44Å; E922-R925 IonicContact OE2-CZ 3.56Å; E922-R925 IonicContact OE2-NH1 3.06Å; E922-R925 PolarHBondContact OE2-NH1 2.84Å; E922-R925 IonicContact OE2-NH2 3.4Å; E922-R925 PolarHBondContact OE2-NH2 2.58Å; R925-Q927 VanDerWaalsContact C-N 3.26Å; R925-Q927 PolarHBondContact O-N 2.8Å; R925-R928 CarbonylContact O-C 3.39Å; R925-R928 PolarHBondContact O-N 3.03Å; R925-R928 VanDerWaalsContact O-N 3.09Å; R925-E929 VanDerWaalsContact CD-OE1 3.25Å; R925-E929 WeakPolarHBondContact CD-OE1 3.49Å; R925-E929 HydrophobicContact CG-CG 4.19Å; R925-E929 IonicContact CZ-OE1 2.65Å; R925-E929 IonicContact CZ-OE2 3.84Å; R925-E929 VanDerWaalsContact NE-CD 3.29Å; R925-E929 IonicContact NE-OE1 3.62Å; R925-E929 PolarHBondContact NE-OE1 2.9Å; R925-E929 IonicContact NE-OE2 3.38Å; R925-E929 PolarHBondContact NE-OE2 3.33Å; R925-E929 IonicContact NH2-OE2 2.7Å; R925-E929 WeakPolarHBondContact O-CB 3.3Å; R925-E929 WeakPolarHBondContact O-CG 3.38Å; R925-E929 PolarHBondContact O-N 3.43Å |
| 926 | R | 72 | Confident | 66.2 | Low | 142 Ų | 142 | 112.7 Ų | 112.7 | 54% | 0.536 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.1 | -34.9 | 176.2 | -72.7 | -177.4 | -180 | -154.5 | -6.3 | 112.1 | E922 R930 | E922-R926 HydrophobicContact CG-CG 4.25Å; E922-R926 WeakPolarHBondContact O-CB 3.35Å; E922-R926 WeakPolarHBondContact O-CG 3.47Å; E922-R926 PolarHBondContact O-N 2.64Å; E922-R926 WeakPolarHBondContact OE1-CG 3.46Å; E922-R926 IonicContact OE1-CZ 2.82Å; E922-R926 IonicContact OE1-NE 3.34Å; E922-R926 PolarHBondContact OE1-NE 2.93Å; E922-R926 IonicContact OE1-NH2 2.68Å; R926-R930 VanDerWaalsContact O-CB 3.24Å; R926-R930 WeakPolarHBondContact O-CB 3.43Å; R926-R930 WeakPolarHBondContact O-CD 3.32Å; R926-R930 WeakPolarHBondContact O-CG 3.33Å; R926-R930 PolarHBondContact O-N 3.01Å |
| 927 | Q | 67 | Low | 64.3 | Low | 98 Ų | 98 | 113 Ų | 113 | 46% | 0.458 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.6 | -49.3 | 172.5 | -175.7 | 59.8 | 32.8 | 0 | 0 | 110.8 | Q923 R925 R930 E931 | Q923-Q927 WeakPolarHBondContact O-CB 3.27Å; Q923-Q927 PolarHBondContact O-N 2.69Å; R925-Q927 VanDerWaalsContact C-N 3.26Å; R925-Q927 PolarHBondContact O-N 2.8Å; Q927-R930 PolarHBondContact O-N 3.35Å; Q927-E931 WeakPolarHBondContact CG-OE1 3.38Å; Q927-E931 PolarHBondContact NE2-OE1 2.7Å; Q927-E931 VanDerWaalsContact O-CG 3.29Å; Q927-E931 WeakPolarHBondContact O-CG 3.43Å; Q927-E931 PolarHBondContact O-N 3.26Å |
| 928 | R | 68.8 | Low | 62 | Low | 169 Ų | 169 | 110.9 Ų | 110.9 | 64% | 0.638 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66 | -41.7 | 175.4 | -68.9 | 177.2 | -174.1 | 173.9 | 3.1 | 113.5 | A924 R925 R930 E931 D932 | A924-R928 WeakPolarHBondContact O-CG 3.44Å; A924-R928 PolarHBondContact O-N 2.9Å; R925-R928 CarbonylContact O-C 3.39Å; R925-R928 PolarHBondContact O-N 3.03Å; R925-R928 VanDerWaalsContact O-N 3.09Å; R928-R930 VanDerWaalsContact C-N 3.29Å; R928-R930 PolarHBondContact O-N 3.22Å; R928-E931 CarbonylContact O-C 3.52Å; R928-E931 WeakPolarHBondContact O-CA 3.06Å; R928-E931 WeakPolarHBondContact O-CB 3.22Å; R928-E931 PolarHBondContact O-N 3.01Å; R928-E931 VanDerWaalsContact O-N 3.15Å; R928-D932 WeakPolarHBondContact O-CB 3.27Å; R928-D932 VanDerWaalsContact O-CG 3.32Å; R928-D932 PolarHBondContact O-N 2.97Å |
| 929 | E | 65 | Low | 60 | Low | 75 Ų | 75 | 109.8 Ų | 109.8 | 35% | 0.35 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.3 | -28.5 | 178.3 | -75.3 | 173.9 | 172.2 | 0 | 0 | 112 | R925 K933 | R925-E929 VanDerWaalsContact CD-OE1 3.25Å; R925-E929 WeakPolarHBondContact CD-OE1 3.49Å; R925-E929 HydrophobicContact CG-CG 4.19Å; R925-E929 IonicContact CZ-OE1 2.65Å; R925-E929 IonicContact CZ-OE2 3.84Å; R925-E929 VanDerWaalsContact NE-CD 3.29Å; R925-E929 IonicContact NE-OE1 3.62Å; R925-E929 PolarHBondContact NE-OE1 2.9Å; R925-E929 IonicContact NE-OE2 3.38Å; R925-E929 PolarHBondContact NE-OE2 3.33Å; R925-E929 IonicContact NH2-OE2 2.7Å; R925-E929 WeakPolarHBondContact O-CB 3.3Å; R925-E929 WeakPolarHBondContact O-CG 3.38Å; R925-E929 PolarHBondContact O-N 3.43Å; E929-K933 WeakPolarHBondContact O-CB 3.48Å; E929-K933 WeakPolarHBondContact O-CG 3.36Å; E929-K933 PolarHBondContact O-N 3.3Å |
| 930 | R | 59.6 | Low | 58.5 | Low | 177 Ų | 177 | 109.9 Ų | 109.9 | 67% | 0.668 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -70 | -43.6 | 168.3 | -78.3 | 170.4 | 172.9 | 178.7 | -3.7 | 111.1 | R926 Q927 R928 D932 A934 | R926-R930 VanDerWaalsContact O-CB 3.24Å; R926-R930 WeakPolarHBondContact O-CB 3.43Å; R926-R930 WeakPolarHBondContact O-CD 3.32Å; R926-R930 WeakPolarHBondContact O-CG 3.33Å; R926-R930 PolarHBondContact O-N 3.01Å; Q927-R930 PolarHBondContact O-N 3.35Å; R928-R930 VanDerWaalsContact C-N 3.29Å; R928-R930 PolarHBondContact O-N 3.22Å; R930-D932 VanDerWaalsContact C-N 3.34Å; R930-A934 WeakPolarHBondContact O-CB 3.18Å; R930-A934 PolarHBondContact O-N 3.02Å |
| 931 | E | 60.6 | Low | 57.3 | Low | 101 Ų | 101 | 104.7 Ų | 104.7 | 47% | 0.472 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.3 | -43.5 | 173.2 | -70.3 | 158.5 | -171.1 | 0 | 0 | 111.2 | Q927 R928 I935 | Q927-E931 WeakPolarHBondContact CG-OE1 3.38Å; Q927-E931 PolarHBondContact NE2-OE1 2.7Å; Q927-E931 VanDerWaalsContact O-CG 3.29Å; Q927-E931 WeakPolarHBondContact O-CG 3.43Å; Q927-E931 PolarHBondContact O-N 3.26Å; R928-E931 CarbonylContact O-C 3.52Å; R928-E931 WeakPolarHBondContact O-CA 3.06Å; R928-E931 WeakPolarHBondContact O-CB 3.22Å; R928-E931 PolarHBondContact O-N 3.01Å; R928-E931 VanDerWaalsContact O-N 3.15Å; E931-I935 WeakPolarHBondContact O-CD1 3.39Å; E931-I935 WeakPolarHBondContact O-CG1 3.21Å |
| 932 | D | 53.9 | Low | 56.6 | Low | 104 Ų | 104 | 108.6 Ų | 108.6 | 56% | 0.556 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -76.8 | -40.4 | -179.5 | -69.5 | -31.5 | 0 | 0 | 0 | 113.6 | R928 R930 I935 L936 | R928-D932 WeakPolarHBondContact O-CB 3.27Å; R928-D932 VanDerWaalsContact O-CG 3.32Å; R928-D932 PolarHBondContact O-N 2.97Å; R930-D932 VanDerWaalsContact C-N 3.34Å; D932-I935 WeakPolarHBondContact O-CB 3.18Å; D932-I935 PolarHBondContact O-N 3.04Å; D932-L936 PolarHBondContact O-N 3Å |
| 933 | K | 48.3 | Very low | 56.4 | Low | 137 Ų | 137 | 108.4 Ų | 108.4 | 60% | 0.596 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -73.6 | -30.6 | 177.6 | -78.2 | -177.1 | 172.4 | -177.4 | 0 | 112.9 | E929 I935 L936 N937 | E929-K933 WeakPolarHBondContact O-CB 3.48Å; E929-K933 WeakPolarHBondContact O-CG 3.36Å; E929-K933 PolarHBondContact O-N 3.3Å; K933-I935 PolarHBondContact O-N 2.9Å; K933-L936 PolarHBondContact O-N 2.68Å; K933-N937 PolarHBondContact O-N 2.79Å |
| 934 | A | 49.4 | Very low | 56.7 | Low | 85 Ų | 85 | 101.9 Ų | 101.9 | 70% | 0.702 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.1 | -27.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112 | R930 | R930-A934 WeakPolarHBondContact O-CB 3.18Å; R930-A934 PolarHBondContact O-N 3.02Å |
| 935 | I | 47 | Very low | 56.9 | Low | 126 Ų | 126 | 102 Ų | 102 | 65% | 0.646 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -79.7 | -33 | 173.1 | -61.7 | 164.4 | 0 | 0 | 0 | 111.6 | E931 D932 K933 | E931-I935 WeakPolarHBondContact O-CD1 3.39Å; E931-I935 WeakPolarHBondContact O-CG1 3.21Å; D932-I935 WeakPolarHBondContact O-CB 3.18Å; D932-I935 PolarHBondContact O-N 3.04Å; K933-I935 PolarHBondContact O-N 2.9Å |
| 936 | L | 40.1 | Very low | 57.1 | Low | 138 Ų | 138 | 101.2 Ų | 101.2 | 72% | 0.723 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -88.9 | -32.7 | -170.7 | -141.1 | 83.6 | 0 | 0 | 0 | 115.3 | D932 K933 S938 | D932-L936 PolarHBondContact O-N 3Å; K933-L936 PolarHBondContact O-N 2.68Å; L936-S938 VanDerWaalsContact C-N 3.29Å; L936-S938 PolarHBondContact O-N 2.79Å |
| 937 | N | 37.2 | Very low | 57.1 | Low | 109 Ų | 109 | 100 Ų | 100 | 58% | 0.583 | 52% | 0.522 | S | S | * | . | trans | -84.6 | 15 | -171.9 | -90.6 | 5.7 | 0 | 0 | 0 | 115.1 | K933 S939 | K933-N937 PolarHBondContact O-N 2.79Å; N937-S939 VanDerWaalsContact C-N 3.27Å; N937-S939 PolarHBondContact O-N 3.45Å | ||
| 938 | S | 32.7 | Very low | 57.5 | Low | 83 Ų | 83 | 98.3 Ų | 98.3 | 58% | 0.58 | 51% | 0.514 | S | S | * | . | trans | -74.6 | 70.7 | 179.3 | 68.7 | 0 | 0 | 0 | 0 | 113 | L936 | L936-S938 VanDerWaalsContact C-N 3.29Å; L936-S938 PolarHBondContact O-N 2.79Å | ||
| 939 | S | 39 | Very low | 58.1 | Low | 97 Ų | 97 | 90.8 Ų | 90.8 | 68% | 0.678 | 49% | 0.489 | S | S | * | . | trans | -108.6 | -6.6 | 177.2 | -61.3 | 0 | 0 | 0 | 0 | 114.6 | N937 | N937-S939 VanDerWaalsContact C-N 3.27Å; N937-S939 PolarHBondContact O-N 3.45Å | ||
| 940 | G | 42.4 | Very low | 59 | Low | 53 Ų | 53 | 90.2 Ų | 90.2 | 55% | 0.546 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -83.5 | -167.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R942 | G940-R942 PolarHBondContact O-N 2.94Š|
| 941 | P | 50 | Low | 60.3 | Low | 52 Ų | 52 | 82 Ų | 82 | 34% | 0.338 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -51.2 | 127.2 | 163.7 | -19 | 30.5 | 0 | 0 | 0 | 108.6 | A943 | P941-A943 PolarHBondContact O-N 2.85Š|
| 942 | R | 62.5 | Low | 61.7 | Low | 173 Ų | 173 | 77.2 Ų | 77.2 | 65% | 0.653 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -52.1 | 126.4 | 179.4 | 166.2 | 175.7 | 161.4 | 134.5 | -5.9 | 108.7 | G940 T945 E948 | G940-R942 PolarHBondContact O-N 2.94Å; R942-T945 VanDerWaalsContact NH2-CG2 3.26Å; R942-E948 IonicContact NE-OE1 2.93Å; R942-E948 IonicContact NH2-OE1 2.87Å |
| 943 | A | 69.8 | Low | 63.4 | Low | 48 Ų | 48 | 75.1 Ų | 75.1 | 40% | 0.397 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 128.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | P941 | P941-A943 PolarHBondContact O-N 2.85Š|
| 944 | P | 77.2 | Confident | 65.3 | Low | 6 Ų | 6 | 72.9 Ų | 72.9 | 4% | 0.039 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 145.7 | -172.5 | 26.1 | -33.8 | 0 | 0 | 0 | 110.3 | L140 Y141 E948 V951 | L140-P944 HydrophobicContact CD2-CG 4.04Å; Y141-P944 WeakPolarHBondContact CE2-O 3.38Å; Y141-P944 VanDerWaalsContact CZ-O 3.31Å; Y141-P944 PolarHBondContact OH-O 3.45Å; P944-E948 VanDerWaalsContact CA-OE2 3.27Å; P944-E948 WeakPolarHBondContact CA-OE2 3.46Å; P944-V951 HydrophobicContact CB-CG1 3.37Å; P944-V951 HydrophobicContact CG-CG1 3.64Å |
| 945 | T | 79.4 | Confident | 67.1 | Low | 52 Ų | 52 | 69.6 Ų | 69.6 | 32% | 0.319 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -79.1 | 155.1 | 171.7 | 59.8 | 0 | 0 | 0 | 0 | 110.9 | G137 R942 E947 E948 | G137-T945 WeakPolarHBondContact CA-O 3.26Å; R942-T945 VanDerWaalsContact NH2-CG2 3.26Å; T945-E947 PolarHBondContact O-N 3.23Å; T945-E948 WeakPolarHBondContact CB-OE1 3.48Å; T945-E948 WeakPolarHBondContact CG2-OE1 3.46Å; T945-E948 VanDerWaalsContact N-CD 3.27Å; T945-E948 PolarHBondContact N-OE1 3.37Å; T945-E948 VanDerWaalsContact N-OE1 3.07Å; T945-E948 PolarHBondContact N-OE2 3.02Å; T945-E948 WeakPolarHBondContact O-CB 3.29Å; T945-E948 PolarHBondContact O-N 3.01Å; T945-E948 VanDerWaalsContact OG1-CG 3.28Å; T945-E948 WeakPolarHBondContact OG1-CG 3.34Å; T945-E948 PolarHBondContact OG1-OE1 3.29Å |
| 946 | E | 76.7 | Confident | 69.1 | Low | 101 Ų | 101 | 64.7 Ų | 64.7 | 47% | 0.472 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -22.4 | -179.3 | -73.5 | -173 | -156.9 | 0 | 0 | 114.3 | Y138 Y141 | Y138-E946 PolarHBondContact N-O 3.4Å; Y141-E946 HydrophobicContact CD2-CG 4Å; Y141-E946 HydrophobicContact CE2-CG 4.38Å |
| 947 | E | 72.3 | Confident | 71.4 | Confident | 115 Ų | 115 | 64.8 Ų | 64.8 | 54% | 0.537 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -10.1 | -176.9 | -64.2 | 174.3 | 162.7 | 0 | 0 | 112.7 | N21 T945 | N21-E947 PolarHBondContact OD1-O 3.46Å; T945-E947 PolarHBondContact O-N 3.23Å |
| 948 | E | 75.6 | Confident | 73.7 | Confident | 63 Ų | 63 | 61 Ų | 61 | 29% | 0.294 | 35% | 0.345 | S | S | . | . | trans | -73 | 158.8 | 178.1 | -83.5 | 158.9 | -133.8 | 0 | 0 | 113.2 | N21 C136 G137 R942 P944 T945 V951 | N21-E948 PolarHBondContact ND2-O 3.45Å; C136-E948 CarbonylContact C-O 3.09Å; C136-E948 WeakPolarHBondContact CA-O 3.33Å; G137-E948 PolarHBondContact N-O 3.14Å; R942-E948 IonicContact NE-OE1 2.93Å; R942-E948 IonicContact NH2-OE1 2.87Å; P944-E948 VanDerWaalsContact CA-OE2 3.27Å; P944-E948 WeakPolarHBondContact CA-OE2 3.46Å; T945-E948 WeakPolarHBondContact CB-OE1 3.48Å; T945-E948 WeakPolarHBondContact CG2-OE1 3.46Å; T945-E948 VanDerWaalsContact N-CD 3.27Å; T945-E948 PolarHBondContact N-OE1 3.37Å; T945-E948 VanDerWaalsContact N-OE1 3.07Å; T945-E948 PolarHBondContact N-OE2 3.02Å; T945-E948 WeakPolarHBondContact O-CB 3.29Å; T945-E948 PolarHBondContact O-N 3.01Å; T945-E948 VanDerWaalsContact OG1-CG 3.28Å; T945-E948 WeakPolarHBondContact OG1-CG 3.34Å; T945-E948 PolarHBondContact OG1-OE1 3.29Å; E948-V951 HydrophobicContact CB-CG2 4.27Å; E948-V951 WeakPolarHBondContact O-CG2 3.45Å | ||
| 949 | G | 80.7 | Confident | 76.3 | Confident | 11 Ų | 11 | 57.1 Ų | 57.1 | 11% | 0.113 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -142.1 | 161.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | N21 V951 N954 | N21-G949 WeakPolarHBondContact ND2-CA 3.46Å; N21-G949 PolarHBondContact ND2-N 3.19Å; N21-G949 WeakPolarHBondContact OD1-CA 3.3Å; N21-G949 PolarHBondContact OD1-N 3.16Å; G949-V951 PolarHBondContact O-N 3.46Å; G949-N954 PolarHBondContact O-ND2 3.07Å |
| 950 | N | 84.9 | Confident | 78.5 | Confident | 63 Ų | 63 | 57.4 Ų | 57.4 | 34% | 0.337 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 54.9 | 33.6 | -167 | -47.7 | -71.1 | 0 | 0 | 0 | 111 | N135 I952 D953 N954 | N135-N950 WeakPolarHBondContact O-CA 3.33Å; N135-N950 PolarHBondContact O-N 2.9Å; N135-N950 VanDerWaalsContact OD1-CA 3.32Å; N135-N950 WeakPolarHBondContact OD1-CA 3.48Å; N950-I952 PolarHBondContact O-N 3.04Å; N950-D953 HydrophobicContact CB-CB 4.48Å; N950-D953 PolarHBondContact O-N 3.15Å; N950-N954 WeakPolarHBondContact O-CB 3.34Å; N950-N954 PolarHBondContact O-N 3.47Å; N950-N954 PolarHBondContact O-ND2 2.63Å |
| 951 | V | 87.6 | Confident | 80.4 | Confident | 5 Ų | 5 | 58.2 Ų | 58.2 | 3% | 0.03 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.7 | -41 | -166.7 | -162.2 | 0 | 0 | 0 | 0 | 111.7 | N135 L140 P944 E948 G949 L955 | N135-V951 PolarHBondContact O-N 3.21Å; N135-V951 VanDerWaalsContact O-N 3.16Å; N135-V951 PolarHBondContact OD1-N 2.9Å; N135-V951 VanDerWaalsContact OD1-N 3.11Å; L140-V951 HydrophobicContact CD2-CG1 3.98Å; P944-V951 HydrophobicContact CB-CG1 3.37Å; P944-V951 HydrophobicContact CG-CG1 3.64Å; E948-V951 HydrophobicContact CB-CG2 4.27Å; E948-V951 WeakPolarHBondContact O-CG2 3.45Å; G949-V951 PolarHBondContact O-N 3.46Å; V951-L955 HydrophobicContact CG1-CD1 4.25Å; V951-L955 WeakPolarHBondContact O-CB 3.38Å; V951-L955 WeakPolarHBondContact O-CG 3.49Å; V951-L955 PolarHBondContact O-N 3.1Å |
| 952 | I | 89.4 | Confident | 81.6 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.9 | -46.1 | 175 | -69.1 | 175.3 | 0 | 0 | 0 | 109 | R131 G134 N135 L171 N950 N954 L955 M956 | R131-I952 HydrophobicContact CG-CD1 4.08Å; R131-I952 WeakPolarHBondContact O-CD1 3.47Å; G134-I952 VanDerWaalsContact C-CD1 3.47Å; G134-I952 WeakPolarHBondContact O-CD1 3.36Å; N135-I952 WeakPolarHBondContact OD1-CB 3.45Å; N135-I952 PolarHBondContact OD1-N 3.25Å; L171-I952 HydrophobicContact CD2-CD1 4.03Å; N950-I952 PolarHBondContact O-N 3.04Å; I952-N954 PolarHBondContact O-N 3.17Å; I952-L955 PolarHBondContact O-N 3.16Å; I952-M956 HydrophobicContact CG2-CG 4.12Å; I952-M956 WeakPolarHBondContact O-CB 3.2Å; I952-M956 VanDerWaalsContact O-CG 3.23Å; I952-M956 WeakPolarHBondContact O-CG 3.5Å; I952-M956 PolarHBondContact O-N 3.3Å |
| 953 | D | 89.4 | Confident | 82.2 | Confident | 60 Ų | 60 | 50.6 Ų | 50.6 | 32% | 0.321 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.6 | -41.4 | -177.4 | -56.5 | -45.2 | 0 | 0 | 0 | 111.6 | R131 N135 N950 M956 E957 | R131-D953 IonicContact CZ-OD1 2.73Å; R131-D953 VanDerWaalsContact CZ-OD1 3.25Å; R131-D953 IonicContact NH1-OD1 2.74Å; R131-D953 PolarHBondContact NH1-OD1 3.02Å; R131-D953 IonicContact NH1-OD2 3.19Å; R131-D953 IonicContact NH2-OD1 2.64Å; R131-D953 PolarHBondContact NH2-OD1 3.15Å; N135-D953 PolarHBondContact ND2-OD2 3.39Å; N135-D953 PolarHBondContact OD1-N 3.15Å; N135-D953 PolarHBondContact OD1-OD2 2.95Å; N950-D953 HydrophobicContact CB-CB 4.48Å; N950-D953 PolarHBondContact O-N 3.15Å; D953-M956 PolarHBondContact O-N 3.47Å; D953-E957 PolarHBondContact O-N 3.2Å |
| 954 | N | 88 | Confident | 82.4 | Confident | 91 Ų | 91 | 49.5 Ų | 49.5 | 49% | 0.487 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 173.6 | -65.6 | -25 | 0 | 0 | 0 | 112.3 | G949 N950 I952 E957 A958 | G949-N954 PolarHBondContact O-ND2 3.07Å; N950-N954 WeakPolarHBondContact O-CB 3.34Å; N950-N954 PolarHBondContact O-N 3.47Å; N950-N954 PolarHBondContact O-ND2 2.63Å; I952-N954 PolarHBondContact O-N 3.17Å; N954-E957 PolarHBondContact O-N 3.16Å; N954-A958 PolarHBondContact O-N 3.37Å; N954-A958 VanDerWaalsContact O-N 3.07Å |
| 955 | L | 87.9 | Confident | 82.4 | Confident | 16 Ų | 16 | 50.3 Ų | 50.3 | 8% | 0.084 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.2 | -40.2 | 176.5 | -75 | 171.6 | 0 | 0 | 0 | 111.4 | L140 L177 V951 I952 A958 L959 | L140-L955 HydrophobicContact CD2-CD1 4.06Å; L177-L955 HydrophobicContact CB-CD2 4.19Å; V951-L955 HydrophobicContact CG1-CD1 4.25Å; V951-L955 WeakPolarHBondContact O-CB 3.38Å; V951-L955 WeakPolarHBondContact O-CG 3.49Å; V951-L955 PolarHBondContact O-N 3.1Å; I952-L955 PolarHBondContact O-N 3.16Å; L955-A958 PolarHBondContact O-N 3.19Å; L955-L959 VanDerWaalsContact O-CB 3.25Å; L955-L959 WeakPolarHBondContact O-CB 3.47Å; L955-L959 PolarHBondContact O-N 3.43Å |
| 956 | M | 88.9 | Confident | 81.5 | Confident | 22 Ų | 22 | 50.6 Ų | 50.6 | 11% | 0.108 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.9 | -34 | 177.6 | -70.8 | -54.4 | -55.3 | 0 | 0 | 112.4 | E170 I952 D953 L959 K960 | E170-M956 HydrophobicContact CB-CG 4.49Å; E170-M956 HydrophobicContact CB-SD 4.19Å; E170-M956 HydrophobicContact CG-CE 4.04Å; E170-M956 HydrophobicContact CG-CG 4.38Å; E170-M956 HydrophobicContact CG-SD 4.2Å; I952-M956 HydrophobicContact CG2-CG 4.12Å; I952-M956 WeakPolarHBondContact O-CB 3.2Å; I952-M956 VanDerWaalsContact O-CG 3.23Å; I952-M956 WeakPolarHBondContact O-CG 3.5Å; I952-M956 PolarHBondContact O-N 3.3Å; D953-M956 PolarHBondContact O-N 3.47Å; M956-L959 HydrophobicContact CE-CD2 4.11Å; M956-L959 PolarHBondContact O-N 2.95Å; M956-L959 HydrophobicContact SD-CD2 4.07Å; M956-K960 WeakPolarHBondContact O-CB 3.41Å; M956-K960 PolarHBondContact O-N 3.41Å |
| 957 | E | 87.8 | Confident | 80.3 | Confident | 140 Ų | 140 | 52.4 Ų | 52.4 | 65% | 0.654 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -68.2 | -43.2 | 172.8 | -174.7 | 167.6 | -157 | 0 | 0 | 112.1 | D953 N954 L959 K960 S961 | D953-E957 PolarHBondContact O-N 3.2Å; N954-E957 PolarHBondContact O-N 3.16Å; E957-L959 VanDerWaalsContact C-N 3.3Å; E957-L959 PolarHBondContact O-N 3.4Å; E957-K960 PolarHBondContact O-N 2.85Å; E957-S961 PolarHBondContact O-N 2.88Å; E957-S961 VanDerWaalsContact O-N 3.09Å; E957-S961 PolarHBondContact O-OG 3.3Å |
| 958 | A | 85.2 | Confident | 78.8 | Confident | 31 Ų | 31 | 49.5 Ų | 49.5 | 26% | 0.256 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.9 | -33 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | N954 L955 S961 A963 A964 | N954-A958 PolarHBondContact O-N 3.37Å; N954-A958 VanDerWaalsContact O-N 3.07Å; L955-A958 PolarHBondContact O-N 3.19Å; A958-S961 PolarHBondContact O-OG 3.27Å; A958-A963 PolarHBondContact O-N 3.03Å; A958-A963 VanDerWaalsContact O-N 3.14Å; A958-A964 PolarHBondContact O-N 3.16Å |
| 959 | L | 87.2 | Confident | 76.9 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -71.3 | -47.2 | 174.5 | -179.9 | 55.6 | 0 | 0 | 0 | 111.2 | L177 Q222 V226 H273 L955 M956 E957 S961 G962 F965 | L177-L959 HydrophobicContact CD1-CB 4.39Å; L177-L959 HydrophobicContact CD1-CD2 4.3Å; Q222-L959 HydrophobicContact CB-CD1 4.32Å; Q222-L959 HydrophobicContact CB-CD2 4.04Å; Q222-L959 HydrophobicContact CB-CG 4Å; Q222-L959 HydrophobicContact CG-CG 4.23Å; V226-L959 HydrophobicContact CG2-CD1 3.49Å; V226-L959 VanDerWaalsContact CG2-CD1 3.49Å; V226-L959 HydrophobicContact CG2-CD2 3.93Å; V226-L959 HydrophobicContact CG2-CG 4.38Å; H273-L959 PolarHBondContact CE1-O 3.43Å; H273-L959 PolarHBondContact NE2-O 3.09Å; L955-L959 VanDerWaalsContact O-CB 3.25Å; L955-L959 WeakPolarHBondContact O-CB 3.47Å; L955-L959 PolarHBondContact O-N 3.43Å; M956-L959 HydrophobicContact CE-CD2 4.11Å; M956-L959 PolarHBondContact O-N 2.95Å; M956-L959 HydrophobicContact SD-CD2 4.07Å; E957-L959 VanDerWaalsContact C-N 3.3Å; E957-L959 PolarHBondContact O-N 3.4Å; L959-S961 PolarHBondContact O-N 3.31Å; L959-G962 PolarHBondContact O-N 3.49Å; L959-F965 HydrophobicContact CD1-CE2 3.54Å; L959-F965 HydrophobicContact CD1-CZ 3.52Å |
| 960 | K | 86.5 | Confident | 74.3 | Confident | 103 Ų | 103 | 55 Ų | 55 | 45% | 0.448 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.5 | -41.2 | -177.8 | -178.1 | -176.2 | 178.4 | -173.1 | 0 | 113.4 | D269 H273 M956 E957 G962 | D269-K960 WeakPolarHBondContact OD2-CE 3.08Å; D269-K960 IonicContact OD2-NZ 3.03Å; H273-K960 PolarHBondContact NE2-O 2.85Å; M956-K960 WeakPolarHBondContact O-CB 3.41Å; M956-K960 PolarHBondContact O-N 3.41Å; E957-K960 PolarHBondContact O-N 2.85Å; K960-G962 PolarHBondContact O-N 2.93Å |
| 961 | S | 80.7 | Confident | 71.7 | Confident | 70 Ų | 70 | 64.2 Ų | 64.2 | 49% | 0.49 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -11.9 | 174.9 | 53.2 | 0 | 0 | 0 | 0 | 113.6 | E957 A958 L959 A963 | E957-S961 PolarHBondContact O-N 2.88Å; E957-S961 VanDerWaalsContact O-N 3.09Å; E957-S961 PolarHBondContact O-OG 3.3Å; A958-S961 PolarHBondContact O-OG 3.27Å; L959-S961 PolarHBondContact O-N 3.31Å; S961-A963 PolarHBondContact O-N 3.15Å; S961-A963 WeakPolarHBondContact OG-CB 3.46Å; S961-A963 PolarHBondContact OG-N 2.88Å |
| 962 | G | 76 | Confident | 69.2 | Low | 8 Ų | 8 | 67.2 Ų | 67.2 | 8% | 0.082 | 38% | 0.377 | C | S | . | . | S | Bend | trans | 72.8 | 1.7 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114 | L959 K960 A964 F965 | L959-G962 PolarHBondContact O-N 3.49Å; K960-G962 PolarHBondContact O-N 2.93Å; G962-A964 PolarHBondContact O-N 3.35Å; G962-F965 PolarHBondContact O-N 2.96Å |
| 963 | A | 74.2 | Confident | 66.5 | Low | 57 Ų | 57 | 71.2 Ų | 71.2 | 47% | 0.471 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -59 | -32.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A958 S961 F965 A966 | A958-A963 PolarHBondContact O-N 3.03Å; A958-A963 VanDerWaalsContact O-N 3.14Å; S961-A963 PolarHBondContact O-N 3.15Å; S961-A963 WeakPolarHBondContact OG-CB 3.46Å; S961-A963 PolarHBondContact OG-N 2.88Å; A963-F965 PolarHBondContact O-N 3.06Å; A963-A966 PolarHBondContact O-N 3.06Å |
| 964 | A | 75.1 | Confident | 63.7 | Low | 25 Ų | 25 | 74.6 Ų | 74.6 | 21% | 0.207 | 43% | 0.432 | C | S | . | . | G | 310 helix | trans | -54.5 | -19.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | A958 G962 | A958-A964 PolarHBondContact O-N 3.16Å; G962-A964 PolarHBondContact O-N 3.35Å |
| 965 | F | 77.2 | Confident | 60.8 | Low | 24 Ų | 24 | 80.8 Ų | 80.8 | 11% | 0.105 | 45% | 0.449 | C | S | . | . | G | 310 helix | trans | -112.1 | 0.9 | -177.7 | -51.8 | -66.8 | 0 | 0 | 0 | 114.5 | N225 V226 N229 H273 I276 R280 L959 G962 A963 N967 | N225-F965 HydrophobicContact CB-CE1 4.17Å; N225-F965 HydrophobicContact CB-CE2 3.94Å; N225-F965 HydrophobicContact CB-CZ 3.6Å; N225-F965 WeakPolarHBondContact O-CE1 3.42Å; V226-F965 HydrophobicContact CG2-CZ 4.03Å; N229-F965 HydrophobicContact CB-CD1 4.06Å; N229-F965 HydrophobicContact CB-CE1 4.24Å; H273-F965 AromaticContact CE1-CE2 3.97Å; I276-F965 HydrophobicContact CD1-CD2 4.04Å; I276-F965 HydrophobicContact CG2-CB 4.11Å; I276-F965 HydrophobicContact CG2-CD2 4.06Å; I276-F965 HydrophobicContact CG2-CG 4.04Å; R280-F965 PolarHBondContact NH2-O 3.48Å; L959-F965 HydrophobicContact CD1-CE2 3.54Å; L959-F965 HydrophobicContact CD1-CZ 3.52Å; G962-F965 PolarHBondContact O-N 2.96Å; A963-F965 PolarHBondContact O-N 3.06Å; F965-N967 PolarHBondContact O-N 3.43Å |
| 966 | A | 60.6 | Low | 58 | Low | 57 Ų | 57 | 89.1 Ų | 89.1 | 47% | 0.471 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -67.9 | -39.5 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | A963 G968 | A963-A966 PolarHBondContact O-N 3.06Å; A966-G968 PolarHBondContact O-N 2.75Å |
| 967 | N | 50.8 | Low | 54.9 | Low | 140 Ų | 140 | 96.2 Ų | 96.2 | 75% | 0.749 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -83 | -1.4 | -157.2 | -70.9 | -5.7 | 0 | 0 | 0 | 117.1 | F965 | F965-N967 PolarHBondContact O-N 3.43Š|
| 968 | G | 41.6 | Very low | 52.1 | Low | 53 Ų | 53 | 99.3 Ų | 99.3 | 55% | 0.546 | 52% | 0.523 | S | S | . | . | G | 310 helix | trans | -84.5 | -3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | R280 A966 | R280-G968 PolarHBondContact NH1-O 3Å; A966-G968 PolarHBondContact O-N 2.75Å |
| 969 | G | 34.6 | Very low | 49.4 | Very low | 18 Ų | 18 | 105.5 Ų | 105.5 | 19% | 0.186 | 55% | 0.552 | C | S | . | * | S | Bend | trans | -106.5 | -39.4 | -165.3 | 0 | 0 | 0 | 0 | 0 | 117 | R971 S972 A973 | G969-R971 PolarHBondContact O-N 3.45Å; G969-S972 PolarHBondContact O-N 2.73Å; G969-S972 VanDerWaalsContact O-N 3.14Å; G969-A973 PolarHBondContact O-N 3.34Å |
| 970 | E | 27.1 | Very low | 46.5 | Very low | 171 Ų | 171 | 113.6 Ų | 113.6 | 80% | 0.799 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -14.6 | -161.2 | -66.3 | -161.2 | 139.4 | 0 | 0 | 115.6 | ||
| 971 | R | 29.7 | Very low | 43.6 | Very low | 257 Ų | 257 | 115.2 Ų | 115.2 | 97% | 0.97 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -18.7 | 175.3 | -74 | -173.2 | 176.6 | 175.1 | 1.5 | 114.9 | G969 | G969-R971 PolarHBondContact O-N 3.45Š|
| 972 | S | 36.2 | Very low | 41 | Very low | 69 Ų | 69 | 116.8 Ų | 116.8 | 48% | 0.483 | 61% | 0.612 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.1 | -34.2 | 178.3 | -159.7 | 0 | 0 | 0 | 0 | 113.1 | G969 V974 R975 | G969-S972 PolarHBondContact O-N 2.73Å; G969-S972 VanDerWaalsContact O-N 3.14Å; S972-V974 PolarHBondContact O-N 3.37Å; S972-R975 PolarHBondContact O-N 3.17Å |
| 973 | A | 32.5 | Very low | 38.8 | Very low | 83 Ų | 83 | 122.9 Ų | 122.9 | 69% | 0.686 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -13.7 | -172 | 0 | 0 | 0 | 0 | 0 | 116.5 | G969 R975 | G969-A973 PolarHBondContact O-N 3.34Å; A973-R975 PolarHBondContact O-N 3.07Å |
| 974 | V | 29.3 | Very low | 36.5 | Very low | 131 Ų | 131 | 124.5 Ų | 124.5 | 79% | 0.794 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -6.8 | 178 | -178 | 0 | 0 | 0 | 0 | 112.6 | S972 | S972-V974 PolarHBondContact O-N 3.37Š|
| 975 | R | 27.7 | Very low | 34.2 | Very low | 221 Ų | 221 | 128.1 Ų | 128.1 | 83% | 0.834 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -121.6 | 106.4 | 176.9 | -75.2 | -175.3 | 171.9 | -179.8 | -0.3 | 114.4 | S972 A973 | S972-R975 PolarHBondContact O-N 3.17Å; A973-R975 PolarHBondContact O-N 3.07Å |
| 976 | R | 29.6 | Very low | 31.9 | Very low | 192 Ų | 192 | 131.9 Ų | 131.9 | 73% | 0.725 | 73% | 0.728 | S | S | * | * | trans | 90.9 | 86.9 | 155.6 | -58.4 | 171.2 | 172.5 | 148.1 | -3.5 | 117.5 | R978 | R976-R978 PolarHBondContact O-N 3.31Å; R976-R978 VanDerWaalsContact O-N 3.16Å | ||
| 977 | N | 24.1 | Very low | 30.2 | Very low | 171 Ų | 171 | 136.7 Ų | 136.7 | 91% | 0.914 | 75% | 0.746 | S | S | * | * | trans | -53 | 114.1 | 138.2 | -111.9 | -9.7 | 0 | 0 | 0 | 109.6 | ||||
| 978 | R | 27.9 | Very low | 29 | Very low | 205 Ų | 205 | 138.1 Ų | 138.1 | 77% | 0.774 | 75% | 0.753 | S | S | * | * | trans | -132.3 | 125 | 159.7 | -88 | -174.2 | 168.9 | 171 | -4.6 | 108.6 | R976 R980 | R976-R978 PolarHBondContact O-N 3.31Å; R976-R978 VanDerWaalsContact O-N 3.16Å; R978-R980 PolarHBondContact O-N 3.47Å | ||
| 979 | N | 28.3 | Very low | 28.5 | Very low | 161 Ų | 161 | 139.9 Ų | 139.9 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 121.4 | -171.3 | -60.8 | -14.1 | 0 | 0 | 0 | 112.1 | ||
| 980 | R | 27.2 | Very low | 28.2 | Very low | 170 Ų | 170 | 144.7 Ų | 144.7 | 64% | 0.642 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 136.4 | 163.6 | -76.6 | -174.7 | 175.5 | 178.2 | 2.1 | 109.8 | D282 R978 | D282-R980 VanDerWaalsContact CB-NH2 3.26Å; D282-R980 IonicContact OD1-NH1 3.77Å; D282-R980 IonicContact OD1-NH2 3.25Å; D282-R980 PolarHBondContact OD1-NH2 2.82Å; D282-R980 IonicContact OD2-CZ 3.33Å; D282-R980 IonicContact OD2-NH1 3.65Å; D282-R980 PolarHBondContact OD2-NH1 2.97Å; D282-R980 IonicContact OD2-NH2 3.51Å; D282-R980 PolarHBondContact OD2-NH2 3.22Å; R978-R980 PolarHBondContact O-N 3.47Å |
| 981 | V | 25 | Very low | 28.4 | Very low | 137 Ų | 137 | 142.8 Ų | 142.8 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 125.3 | 154.1 | 177.6 | 0 | 0 | 0 | 0 | 105.7 | ||
| 982 | S | 27.1 | Very low | 28.5 | Very low | 103 Ų | 103 | 133.5 Ų | 133.5 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 128.9 | -178.6 | -54.2 | 0 | 0 | 0 | 0 | 111 | A984 | S982-A984 PolarHBondContact O-N 2.91Å; S982-A984 VanDerWaalsContact O-N 3.17Å |
| 983 | P | 29.3 | Very low | 28.2 | Very low | 135 Ų | 135 | 133.2 Ų | 133.2 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | trans | -73.2 | 105.9 | 167.1 | -4.3 | 20.7 | 0 | 0 | 0 | 108.7 | ||||
| 984 | A | 25.3 | Very low | 28.4 | Very low | 92 Ų | 92 | 134.2 Ų | 134.2 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | trans | -96 | 139.2 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | S982 | S982-A984 PolarHBondContact O-N 2.91Å; S982-A984 VanDerWaalsContact O-N 3.17Å | ||
| 985 | A | 26.8 | Very low | 28.8 | Very low | 100 Ų | 100 | 131.5 Ų | 131.5 | 83% | 0.826 | 76% | 0.756 | S | S | * | * | trans | 72.2 | 91.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 986 | A | 29.9 | Very low | 29.5 | Very low | 103 Ų | 103 | 122.3 Ų | 122.3 | 85% | 0.851 | 73% | 0.727 | S | S | * | * | trans | -131.2 | 64.2 | 146.3 | 0 | 0 | 0 | 0 | 0 | 110 | L988 | A986-L988 PolarHBondContact O-N 3.47Š| ||
| 987 | N | 25.3 | Very low | 30.2 | Very low | 159 Ų | 159 | 117.4 Ų | 117.4 | 85% | 0.85 | 71% | 0.714 | S | S | * | * | trans | -73.8 | 108.2 | 170 | -90.1 | -30.4 | 0 | 0 | 0 | 109.6 | ||||
| 988 | L | 25.1 | Very low | 31.2 | Very low | 170 Ų | 170 | 118.2 Ų | 118.2 | 89% | 0.89 | 70% | 0.704 | S | S | * | * | trans | -168.4 | 73.4 | 152 | -107 | 160.2 | 0 | 0 | 0 | 110.9 | A986 S990 | A986-L988 PolarHBondContact O-N 3.47Å; L988-S990 PolarHBondContact O-N 2.89Å; L988-S990 VanDerWaalsContact O-N 3.17Å | ||
| 989 | A | 30.6 | Very low | 32.1 | Very low | 90 Ų | 90 | 112.3 Ų | 112.3 | 74% | 0.744 | 69% | 0.685 | S | S | * | * | trans | -65.1 | 112.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | V991 | A989-V991 VanDerWaalsContact C-N 3.32Å; A989-V991 PolarHBondContact O-N 3.19Å | ||
| 990 | S | 27.9 | Very low | 32.9 | Very low | 119 Ų | 119 | 109.8 Ų | 109.8 | 83% | 0.832 | 66% | 0.664 | S | S | * | * | trans | -78.8 | 81.9 | 169.7 | 55.3 | 0 | 0 | 0 | 0 | 110 | L988 A992 | L988-S990 PolarHBondContact O-N 2.89Å; L988-S990 VanDerWaalsContact O-N 3.17Å; S990-A992 PolarHBondContact O-N 2.86Å | ||
| 991 | V | 31.9 | Very low | 33.9 | Very low | 131 Ų | 131 | 106.5 Ų | 106.5 | 79% | 0.794 | 66% | 0.656 | S | S | * | * | trans | -62.2 | 112 | 176.3 | -178 | 0 | 0 | 0 | 0 | 109.4 | A989 S993 | A989-V991 VanDerWaalsContact C-N 3.32Å; A989-V991 PolarHBondContact O-N 3.19Å; V991-S993 PolarHBondContact O-N 3.1Å | ||
| 992 | A | 32.3 | Very low | 34.9 | Very low | 62 Ų | 62 | 105.8 Ų | 105.8 | 51% | 0.512 | 65% | 0.647 | S | S | . | * | trans | -62.5 | 128.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | S990 | S990-A992 PolarHBondContact O-N 2.86Š| ||
| 993 | S | 28.9 | Very low | 35.9 | Very low | 63 Ų | 63 | 103.5 Ų | 103.5 | 44% | 0.441 | 63% | 0.625 | S | S | . | * | trans | -58.2 | 144 | 179.3 | 173.4 | 0 | 0 | 0 | 0 | 111.7 | V991 S995 A996 | V991-S993 PolarHBondContact O-N 3.1Å; S993-S995 WeakPolarHBondContact CB-OG 3.4Å; S993-S995 PolarHBondContact O-N 3.26Å; S993-S995 PolarHBondContact OG-N 3.33Å; S993-S995 PolarHBondContact OG-OG 3.09Å; S993-A996 WeakPolarHBondContact O-CB 3.39Å; S993-A996 PolarHBondContact O-N 3.29Å | ||
| 994 | P | 36.7 | Very low | 36.8 | Very low | 103 Ų | 103 | 100 Ų | 100 | 67% | 0.669 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -52.6 | -24.2 | 174.3 | -28.6 | 35.7 | 0 | 0 | 0 | 114.9 | R998 | P994-R998 PolarHBondContact O-N 3.1Å |
| 995 | S | 38.7 | Very low | 37.5 | Very low | 75 Ų | 75 | 98.7 Ų | 98.7 | 52% | 0.524 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.1 | -34.9 | 172.2 | 49.5 | 0 | 0 | 0 | 0 | 113.4 | S993 Q999 | S993-S995 WeakPolarHBondContact CB-OG 3.4Å; S993-S995 PolarHBondContact O-N 3.26Å; S993-S995 PolarHBondContact OG-N 3.33Å; S993-S995 PolarHBondContact OG-OG 3.09Å; S995-Q999 WeakPolarHBondContact O-CB 3.46Å; S995-Q999 PolarHBondContact O-N 3.38Å |
| 996 | A | 42 | Very low | 38 | Very low | 27 Ų | 27 | 103.1 Ų | 103.1 | 22% | 0.223 | 58% | 0.579 | C | S | . | * | H | α-helix | trans | -69 | -40.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L339 S993 R998 Q999 R1000 | L339-A996 HydrophobicContact CD2-CB 4.49Å; S993-A996 WeakPolarHBondContact O-CB 3.39Å; S993-A996 PolarHBondContact O-N 3.29Å; A996-R998 PolarHBondContact O-N 2.64Å; A996-Q999 PolarHBondContact O-N 3.25Å; A996-Q999 VanDerWaalsContact O-N 3.15Å; A996-R1000 PolarHBondContact O-N 3.11Å |
| 997 | I | 43.2 | Very low | 38.5 | Very low | 89 Ų | 89 | 102.4 Ų | 102.4 | 46% | 0.456 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -59.1 | -49 | 176.7 | -58.3 | 175.1 | 0 | 0 | 0 | 110.2 | Q999 R1000 Q1001 | I997-Q999 PolarHBondContact O-N 3.17Å; I997-R1000 PolarHBondContact O-N 3.05Å; I997-Q1001 PolarHBondContact O-N 2.88Å |
| 998 | R | 44.9 | Very low | 39.4 | Very low | 188 Ų | 188 | 100.4 Ų | 100.4 | 71% | 0.709 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.6 | -26.6 | 178.8 | -138.2 | 178.1 | -162.9 | 177.7 | 6.1 | 113.1 | P994 A996 L1002 | P994-R998 PolarHBondContact O-N 3.1Å; A996-R998 PolarHBondContact O-N 2.64Å; R998-L1002 PolarHBondContact O-N 3.04Å |
| 999 | Q | 47.4 | Very low | 39.8 | Very low | 81 Ų | 81 | 99.1 Ų | 99.1 | 38% | 0.379 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -84.6 | -32.8 | -179.9 | -166 | 145.9 | 12.5 | 0 | 0 | 113 | P336 S995 A996 I997 Q1001 L1002 M1003 | P336-Q999 VanDerWaalsContact CB-NE2 3.29Å; S995-Q999 WeakPolarHBondContact O-CB 3.46Å; S995-Q999 PolarHBondContact O-N 3.38Å; A996-Q999 PolarHBondContact O-N 3.25Å; A996-Q999 VanDerWaalsContact O-N 3.15Å; I997-Q999 PolarHBondContact O-N 3.17Å; Q999-Q1001 VanDerWaalsContact C-N 3.34Å; Q999-L1002 PolarHBondContact O-N 3.18Å; Q999-M1003 WeakPolarHBondContact O-CG 3.5Å; Q999-M1003 PolarHBondContact O-N 3.32Å; Q999-M1003 VanDerWaalsContact O-N 3.11Å |
| 1000 | R | 46.5 | Very low | 40 | Very low | 108 Ų | 108 | 105.6 Ų | 105.6 | 41% | 0.408 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -56 | -48 | 167.4 | -76.4 | -176.7 | 174 | 175.7 | -2.7 | 111.2 | L339 A996 I997 L1002 M1003 R1004 | L339-R1000 HydrophobicContact CD2-CG 3.91Å; L339-R1000 HydrophobicContact CG-CG 4.48Å; A996-R1000 PolarHBondContact O-N 3.11Å; I997-R1000 PolarHBondContact O-N 3.05Å; R1000-L1002 PolarHBondContact O-N 2.98Å; R1000-M1003 PolarHBondContact O-N 3.17Å; R1000-R1004 PolarHBondContact O-N 2.87Å |
| 1001 | Q | 46.4 | Very low | 40.4 | Very low | 102 Ų | 102 | 103.6 Ų | 103.6 | 48% | 0.477 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -57.2 | -46.3 | 177.9 | -69.6 | 174.3 | -25 | 0 | 0 | 112.7 | I997 Q999 A1005 | I997-Q1001 PolarHBondContact O-N 2.88Å; Q999-Q1001 VanDerWaalsContact C-N 3.34Å; Q1001-A1005 PolarHBondContact O-N 3.33Å |
| 1002 | L | 46.9 | Very low | 40.9 | Very low | 121 Ų | 121 | 103.4 Ų | 103.4 | 63% | 0.634 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -70.9 | -29.7 | -178.8 | -89.9 | 162 | 0 | 0 | 0 | 114.4 | R998 Q999 R1000 | R998-L1002 PolarHBondContact O-N 3.04Å; Q999-L1002 PolarHBondContact O-N 3.18Å; R1000-L1002 PolarHBondContact O-N 2.98Å |
| 1003 | M | 47 | Very low | 41.1 | Very low | 56 Ų | 56 | 107.6 Ų | 107.6 | 28% | 0.276 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -75.8 | -45.8 | 178.4 | -74.5 | -67 | -168.4 | 0 | 0 | 111.9 | Y337 A340 Q999 R1000 A1005 R1006 | Y337-M1003 HydrophobicContact CD1-CE 4.41Å; A340-M1003 HydrophobicContact CB-CG 4.37Å; Q999-M1003 WeakPolarHBondContact O-CG 3.5Å; Q999-M1003 PolarHBondContact O-N 3.32Å; Q999-M1003 VanDerWaalsContact O-N 3.11Å; R1000-M1003 PolarHBondContact O-N 3.17Å; M1003-A1005 VanDerWaalsContact C-N 3.32Å; M1003-A1005 PolarHBondContact O-N 2.72Å; M1003-R1006 WeakPolarHBondContact O-CB 3.49Å; M1003-R1006 PolarHBondContact O-N 2.72Å; M1003-R1006 VanDerWaalsContact O-N 3.08Å |
| 1004 | R | 48.4 | Very low | 41.8 | Very low | 60 Ų | 60 | 110.4 Ų | 110.4 | 23% | 0.226 | 57% | 0.571 | C | S | . | * | H | α-helix | trans | -67.4 | -30.4 | -179.2 | -71.1 | -141.2 | -168.5 | 96.2 | -19.8 | 113.5 | D201 E347 R1000 R1006 S1007 R1008 | D201-R1004 IonicContact OD1-CZ 3.9Å; D201-R1004 IonicContact OD1-NH1 2.67Å; D201-R1004 PolarHBondContact OD1-NH1 2.74Å; D201-R1004 IonicContact OD1-NH2 2.69Å; D201-R1004 PolarHBondContact OD1-NH2 2.82Å; D201-R1004 IonicContact OD2-CZ 2.66Å; D201-R1004 IonicContact OD2-NH1 3.64Å; D201-R1004 PolarHBondContact OD2-NH1 2.84Å; D201-R1004 IonicContact OD2-NH2 3.43Å; E347-R1004 IonicContact OE1-CZ 3.2Å; E347-R1004 IonicContact OE1-NE 2.74Å; E347-R1004 PolarHBondContact OE1-NE 3.43Å; E347-R1004 IonicContact OE1-NH2 3.36Å; E347-R1004 PolarHBondContact OE1-NH2 3.45Å; R1000-R1004 PolarHBondContact O-N 2.87Å; R1004-R1006 PolarHBondContact O-N 2.82Å; R1004-S1007 PolarHBondContact O-N 3.29Å; R1004-R1008 PolarHBondContact O-N 3.2Å |
| 1005 | A | 41.5 | Very low | 42.3 | Very low | 65 Ų | 65 | 113.3 Ų | 113.3 | 54% | 0.537 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -56.5 | -22.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q1001 M1003 | Q1001-A1005 PolarHBondContact O-N 3.33Å; M1003-A1005 VanDerWaalsContact C-N 3.32Å; M1003-A1005 PolarHBondContact O-N 2.72Å |
| 1006 | R | 36.5 | Very low | 43 | Very low | 194 Ų | 194 | 112.2 Ų | 112.2 | 73% | 0.732 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -87.5 | -23.4 | 175.6 | -66.5 | -179.5 | 170 | -172.3 | -3.9 | 114.1 | M1003 R1004 | M1003-R1006 WeakPolarHBondContact O-CB 3.49Å; M1003-R1006 PolarHBondContact O-N 2.72Å; M1003-R1006 VanDerWaalsContact O-N 3.08Å; R1004-R1006 PolarHBondContact O-N 2.82Å |
| 1007 | S | 41.6 | Very low | 43.6 | Very low | 87 Ų | 87 | 112 Ų | 112 | 61% | 0.608 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -75.2 | -34.1 | 178.5 | -157.2 | 0 | 0 | 0 | 0 | 111.6 | R1004 N1009 | R1004-S1007 PolarHBondContact O-N 3.29Å; S1007-N1009 PolarHBondContact O-N 3.43Å; S1007-N1009 VanDerWaalsContact O-N 3.11Å |
| 1008 | R | 44.2 | Very low | 44.1 | Very low | 118 Ų | 118 | 112.1 Ų | 112.1 | 45% | 0.445 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.4 | 10 | 177.8 | -75.1 | -169.6 | 172.1 | -166.5 | -6.4 | 115.6 | E195 R1004 Y1010 | E195-R1008 IonicContact OE1-CZ 2.88Å; E195-R1008 IonicContact OE1-NH1 2.77Å; E195-R1008 IonicContact OE1-NH2 3.44Å; E195-R1008 PolarHBondContact OE1-NH2 3.34Å; E195-R1008 IonicContact OE2-CZ 2.7Å; E195-R1008 IonicContact OE2-NH1 3.82Å; E195-R1008 PolarHBondContact OE2-NH1 2.93Å; E195-R1008 IonicContact OE2-NH2 3.4Å; E195-R1008 PolarHBondContact OE2-NH2 3.17Å; R1004-R1008 PolarHBondContact O-N 3.2Å; R1008-Y1010 PolarHBondContact O-N 2.97Å |
| 1009 | N | 32 | Very low | 44.4 | Very low | 143 Ų | 143 | 108.4 Ų | 108.4 | 77% | 0.765 | 56% | 0.556 | S | S | * | * | trans | -72.9 | 21.4 | -178.4 | -106.7 | 9.1 | 0 | 0 | 0 | 115.2 | S1007 | S1007-N1009 PolarHBondContact O-N 3.43Å; S1007-N1009 VanDerWaalsContact O-N 3.11Å | ||
| 1010 | Y | 36.5 | Very low | 44.7 | Very low | 226 Ų | 226 | 106.4 Ų | 106.4 | 89% | 0.886 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -96.1 | 92.3 | 160.4 | -82.9 | -75.4 | 0 | 0 | 0 | 110.5 | R1008 D1012 | R1008-Y1010 PolarHBondContact O-N 2.97Å; Y1010-D1012 PolarHBondContact O-N 2.87Å |
| 1011 | G | 35.2 | Very low | 44.6 | Very low | 76 Ų | 76 | 104.1 Ų | 104.1 | 78% | 0.784 | 55% | 0.554 | S | S | * | * | S | Bend | trans | 86.2 | -62 | 154.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 1012 | D | 41.9 | Very low | 44.5 | Very low | 127 Ų | 127 | 104.3 Ų | 104.3 | 68% | 0.679 | 56% | 0.557 | S | S | * | * | trans | -91.3 | 118.9 | -159.5 | -73.5 | -9.2 | 0 | 0 | 0 | 113.3 | Y1010 | Y1010-D1012 PolarHBondContact O-N 2.87Š| ||
| 1013 | L | 37.4 | Very low | 44.4 | Very low | 151 Ų | 151 | 103.4 Ų | 103.4 | 79% | 0.791 | 55% | 0.553 | S | S | * | * | trans | -56 | 146.4 | 166.9 | -74.7 | 158.1 | 0 | 0 | 0 | 110.1 | R1015 | L1013-R1015 PolarHBondContact O-N 3.44Š| ||
| 1014 | P | 43 | Very low | 44.2 | Very low | 121 Ų | 121 | 106 Ų | 106 | 79% | 0.786 | 57% | 0.569 | S | S | * | * | trans | -60.5 | 111.6 | 175.1 | 25.5 | -33.3 | 0 | 0 | 0 | 109.6 | S1016 | P1014-S1016 PolarHBondContact O-N 3.4Š| ||
| 1015 | R | 46.9 | Very low | 44 | Very low | 165 Ų | 165 | 108.7 Ų | 108.7 | 62% | 0.623 | 59% | 0.589 | S | S | * | * | trans | -59.2 | 125.5 | 176.8 | -65 | -175.7 | -173.5 | -179.8 | 2.4 | 108.9 | L196 L1013 D1019 V1020 | L196-R1015 WeakPolarHBondContact CD2-O 3.35Å; L1013-R1015 PolarHBondContact O-N 3.44Å; R1015-D1019 HydrophobicContact CB-CB 4.13Å; R1015-D1019 HydrophobicContact CG-CB 4.49Å; R1015-V1020 HydrophobicContact CB-CG2 4.08Å | ||
| 1016 | S | 53.4 | Low | 44.2 | Very low | 51 Ų | 51 | 111.4 Ų | 111.4 | 36% | 0.357 | 59% | 0.592 | S | S | . | * | trans | -74.4 | 166 | 168 | 73.8 | 0 | 0 | 0 | 0 | 110.1 | P1014 V1018 D1019 V1020 | P1014-S1016 PolarHBondContact O-N 3.4Å; S1016-V1018 PolarHBondContact O-N 2.82Å; S1016-V1018 VanDerWaalsContact O-N 3.08Å; S1016-V1018 PolarHBondContact OG-N 3.29Å; S1016-D1019 WeakPolarHBondContact CA-OD2 2.78Å; S1016-D1019 VanDerWaalsContact CB-OD2 3.23Å; S1016-D1019 WeakPolarHBondContact CB-OD2 3.43Å; S1016-D1019 PolarHBondContact N-OD2 2.85Å; S1016-D1019 PolarHBondContact O-N 2.85Å; S1016-D1019 PolarHBondContact OG-N 3.26Å; S1016-D1019 PolarHBondContact OG-OD2 3.1Å; S1016-V1020 PolarHBondContact O-N 3.42Å | ||
| 1017 | V | 55.1 | Low | 44.7 | Very low | 24 Ų | 24 | 105.9 Ų | 105.9 | 15% | 0.145 | 58% | 0.583 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -56.3 | -25.3 | 171 | -177 | 0 | 0 | 0 | 0 | 111.6 | A112 T116 F152 L196 A1021 | A112-V1017 HydrophobicContact CB-CG1 4.48Å; T116-V1017 HydrophobicContact CG2-CB 3.79Å; T116-V1017 HydrophobicContact CG2-CG1 3.78Å; F152-V1017 HydrophobicContact CE1-CG1 4.32Å; L196-V1017 HydrophobicContact CD1-CG2 4.36Å; L196-V1017 HydrophobicContact CD2-CG2 4.12Å; V1017-A1021 VanDerWaalsContact O-CB 3.28Å; V1017-A1021 WeakPolarHBondContact O-CB 3.35Å; V1017-A1021 PolarHBondContact O-N 3.15Å |
| 1018 | V | 52.9 | Low | 44.9 | Very low | 91 Ų | 91 | 107.3 Ų | 107.3 | 55% | 0.552 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -23.1 | 177.4 | -174.2 | 0 | 0 | 0 | 0 | 112.4 | T116 S1016 V1020 | T116-V1018 HydrophobicContact CG2-CG2 4Å; S1016-V1018 PolarHBondContact O-N 2.82Å; S1016-V1018 VanDerWaalsContact O-N 3.08Å; S1016-V1018 PolarHBondContact OG-N 3.29Å; V1018-V1020 VanDerWaalsContact C-N 3.31Å |
| 1019 | D | 51.9 | Low | 44.9 | Very low | 109 Ų | 109 | 106.5 Ų | 106.5 | 58% | 0.583 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -9.7 | 174.5 | -55.3 | -66.4 | 0 | 0 | 0 | 112.5 | R1015 S1016 | R1015-D1019 HydrophobicContact CB-CB 4.13Å; R1015-D1019 HydrophobicContact CG-CB 4.49Å; S1016-D1019 WeakPolarHBondContact CA-OD2 2.78Å; S1016-D1019 VanDerWaalsContact CB-OD2 3.23Å; S1016-D1019 WeakPolarHBondContact CB-OD2 3.43Å; S1016-D1019 PolarHBondContact N-OD2 2.85Å; S1016-D1019 PolarHBondContact O-N 2.85Å; S1016-D1019 PolarHBondContact OG-N 3.26Å; S1016-D1019 PolarHBondContact OG-OD2 3.1Å |
| 1020 | V | 53.2 | Low | 46 | Very low | 39 Ų | 39 | 103.4 Ų | 103.4 | 24% | 0.236 | 58% | 0.577 | C | S | . | * | trans | -99.9 | -15.5 | 176 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | F152 L196 R1015 S1016 V1018 | F152-V1020 HydrophobicContact CE1-CG1 4.23Å; F152-V1020 HydrophobicContact CZ-CB 4.4Å; F152-V1020 HydrophobicContact CZ-CG1 3.92Å; F152-V1020 WeakPolarHBondContact CZ-O 3.05Å; L196-V1020 HydrophobicContact CD2-CG2 4.44Å; R1015-V1020 HydrophobicContact CB-CG2 4.08Å; S1016-V1020 PolarHBondContact O-N 3.42Å; V1018-V1020 VanDerWaalsContact C-N 3.31Å | ||
| 1021 | A | 45 | Very low | 46.9 | Very low | 61 Ų | 61 | 92.3 Ų | 92.3 | 50% | 0.504 | 55% | 0.549 | S | S | . | . | trans | -112.3 | 0 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | H109 A112 F152 V1017 | H109-A1021 PolarHBondContact ND1-O 2.9Å; A112-A1021 HydrophobicContact CB-CB 3.44Å; A112-A1021 VanDerWaalsContact CB-CB 3.44Å; F152-A1021 HydrophobicContact CE1-CB 4.04Å; F152-A1021 HydrophobicContact CZ-CB 3.65Å; V1017-A1021 VanDerWaalsContact O-CB 3.28Å; V1017-A1021 WeakPolarHBondContact O-CB 3.35Å; V1017-A1021 PolarHBondContact O-N 3.15Å |
Retrieved 1,021 of 1,021 residues in 1908.3 ms
(Link to these results)