| 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 | 45.4 | Very low | 61.5 | Low | 190 Ų | 190 | 91.8 Ų | 91.8 | 94% | 0.936 | 50% | 0.5 | S | S | * | . | 0 | 91.9 | 0 | -76.9 | -169.8 | -161.4 | 0 | 0 | 108.1 | |||||
| 2 | T | 56.3 | Low | 62 | Low | 121 Ų | 121 | 86.3 Ų | 86.3 | 74% | 0.742 | 47% | 0.471 | S | S | * | . | trans | -136.7 | -39.6 | -155 | 30.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 3 | L | 50.5 | Low | 62.4 | Low | 130 Ų | 130 | 81.7 Ų | 81.7 | 68% | 0.681 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -104.4 | -51.6 | -173.2 | -144.8 | 75.7 | 0 | 0 | 0 | 114.1 | R5 A6 D7 | L3-R5 VanDerWaalsContact C-N 3.25Å; L3-R5 PolarHBondContact O-N 3.5Å; L3-R5 VanDerWaalsContact O-N 3.12Å; L3-A6 WeakPolarHBondContact O-CA 3.49Å; L3-A6 WeakPolarHBondContact O-CB 3.06Å; L3-A6 PolarHBondContact O-N 3.38Å; L3-D7 PolarHBondContact O-N 2.67Å; L3-D7 VanDerWaalsContact O-N 3.08Å |
| 4 | A | 58 | Low | 62.8 | Low | 71 Ų | 71 | 81.1 Ų | 81.1 | 59% | 0.587 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -58 | -34.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | I8 | A4-I8 WeakPolarHBondContact O-CD1 3.13Å; A4-I8 WeakPolarHBondContact O-CG1 3.26Å; A4-I8 PolarHBondContact O-N 3.17Å; A4-I8 VanDerWaalsContact O-N 3.13Å |
| 5 | R | 62.8 | Low | 63.1 | Low | 141 Ų | 141 | 83.4 Ų | 83.4 | 53% | 0.532 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -69 | -41.9 | 174 | -79.9 | -171.7 | 177.5 | 174.4 | -0.7 | 112 | L3 D7 I8 Y9 | L3-R5 VanDerWaalsContact C-N 3.25Å; L3-R5 PolarHBondContact O-N 3.5Å; L3-R5 VanDerWaalsContact O-N 3.12Å; R5-D7 VanDerWaalsContact C-N 3.3Å; R5-D7 PolarHBondContact O-N 3.11Å; R5-I8 PolarHBondContact O-N 2.98Å; R5-Y9 HydrophobicContact CB-CD2 4.27Å; R5-Y9 HydrophobicContact CB-CE2 3.87Å; R5-Y9 WeakPolarHBondContact O-CD2 3.43Å; R5-Y9 PolarHBondContact O-N 3.27Å |
| 6 | A | 63.5 | Low | 63.1 | Low | 25 Ų | 25 | 79.8 Ų | 79.8 | 21% | 0.207 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62.6 | -38.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L3 Y9 S10 I40 | L3-A6 WeakPolarHBondContact O-CA 3.49Å; L3-A6 WeakPolarHBondContact O-CB 3.06Å; L3-A6 PolarHBondContact O-N 3.38Å; A6-Y9 PolarHBondContact O-N 2.66Å; A6-S10 WeakPolarHBondContact O-CB 3.41Å; A6-S10 PolarHBondContact O-N 3.37Å; A6-I40 WeakPolarHBondContact O-CD1 3.46Å |
| 7 | D | 67.3 | Low | 62.9 | Low | 98 Ų | 98 | 77.2 Ų | 77.2 | 52% | 0.524 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.4 | -43.2 | 175 | -65.5 | -36 | 0 | 0 | 0 | 112 | L3 R5 Y9 S10 S11 | L3-D7 PolarHBondContact O-N 2.67Å; L3-D7 VanDerWaalsContact O-N 3.08Å; R5-D7 VanDerWaalsContact C-N 3.3Å; R5-D7 PolarHBondContact O-N 3.11Å; D7-Y9 PolarHBondContact O-N 2.95Å; D7-S10 PolarHBondContact O-N 2.93Å; D7-S11 WeakPolarHBondContact O-CB 3.29Å; D7-S11 PolarHBondContact O-N 2.61Å |
| 8 | I | 68.4 | Low | 62.9 | Low | 97 Ų | 97 | 79.8 Ų | 79.8 | 50% | 0.497 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.8 | -46.3 | 174.3 | -69.2 | 163.4 | 0 | 0 | 0 | 110.6 | A4 R5 S11 T12 | A4-I8 WeakPolarHBondContact O-CD1 3.13Å; A4-I8 WeakPolarHBondContact O-CG1 3.26Å; A4-I8 PolarHBondContact O-N 3.17Å; A4-I8 VanDerWaalsContact O-N 3.13Å; R5-I8 PolarHBondContact O-N 2.98Å; I8-S11 PolarHBondContact O-N 3.06Å; I8-T12 WeakPolarHBondContact O-CB 3Å; I8-T12 PolarHBondContact O-N 3.35Å; I8-T12 PolarHBondContact O-OG1 2.89Å |
| 9 | Y | 68.1 | Low | 62.6 | Low | 55 Ų | 55 | 80.5 Ų | 80.5 | 22% | 0.216 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 176.9 | -66.2 | -56.2 | 0 | 0 | 0 | 111.3 | R5 A6 D7 S11 T12 I13 L42 I51 I89 | R5-Y9 HydrophobicContact CB-CD2 4.27Å; R5-Y9 HydrophobicContact CB-CE2 3.87Å; R5-Y9 WeakPolarHBondContact O-CD2 3.43Å; R5-Y9 PolarHBondContact O-N 3.27Å; A6-Y9 PolarHBondContact O-N 2.66Å; D7-Y9 PolarHBondContact O-N 2.95Å; Y9-S11 PolarHBondContact O-N 2.99Å; Y9-T12 PolarHBondContact O-N 3.41Å; Y9-I13 VanDerWaalsContact O-CB 3.32Å; Y9-I13 WeakPolarHBondContact O-CB 3.13Å; Y9-I13 VanDerWaalsContact O-CD1 3.26Å; Y9-I13 WeakPolarHBondContact O-CD1 2.97Å; Y9-I13 WeakPolarHBondContact O-CG1 3.14Å; Y9-I13 PolarHBondContact O-N 2.9Å; Y9-L42 HydrophobicContact CD2-CD2 4.29Å; Y9-L42 HydrophobicContact CE2-CD2 4.31Å; Y9-I51 HydrophobicContact CD1-CD1 3.34Å; Y9-I51 HydrophobicContact CD2-CD1 3.43Å; Y9-I51 VanDerWaalsContact CD2-CD1 3.43Å; Y9-I51 HydrophobicContact CE1-CD1 3.22Å; Y9-I51 HydrophobicContact CE2-CD1 3.31Å; Y9-I51 HydrophobicContact CG-CD1 3.47Å; Y9-I51 VanDerWaalsContact CG-CD1 3.47Å; Y9-I89 HydrophobicContact CD1-CD1 3.84Å; Y9-I89 HydrophobicContact CE1-CD1 4.18Å |
| 10 | S | 67.1 | Low | 62.2 | Low | 19 Ų | 19 | 77 Ų | 77 | 13% | 0.133 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.8 | -46 | 176.1 | -164.4 | 0 | 0 | 0 | 0 | 111.9 | A6 D7 I13 K14 I40 | A6-S10 WeakPolarHBondContact O-CB 3.41Å; A6-S10 PolarHBondContact O-N 3.37Å; D7-S10 PolarHBondContact O-N 2.93Å; S10-I13 PolarHBondContact O-N 2.82Å; S10-K14 WeakPolarHBondContact O-CB 3.29Å; S10-K14 VanDerWaalsContact O-CG 3.25Å; S10-K14 WeakPolarHBondContact O-CG 3.45Å; S10-K14 PolarHBondContact O-N 2.84Å; S10-I40 VanDerWaalsContact CA-CD1 3.44Å |
| 11 | S | 68.9 | Low | 61.7 | Low | 63 Ų | 63 | 74 Ų | 74 | 44% | 0.441 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.4 | -46.7 | 176.7 | -165.4 | 0 | 0 | 0 | 0 | 111 | D7 I8 Y9 I13 K14 E15 | D7-S11 WeakPolarHBondContact O-CB 3.29Å; D7-S11 PolarHBondContact O-N 2.61Å; I8-S11 PolarHBondContact O-N 3.06Å; Y9-S11 PolarHBondContact O-N 2.99Å; S11-I13 PolarHBondContact O-N 2.91Å; S11-K14 PolarHBondContact O-N 3.38Å; S11-E15 WeakPolarHBondContact O-CG 3.36Å; S11-E15 PolarHBondContact O-N 2.81Å |
| 12 | T | 67.7 | Low | 62 | Low | 25 Ų | 25 | 71.7 Ų | 71.7 | 15% | 0.153 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62 | -44.8 | 179.1 | -50.3 | 0 | 0 | 0 | 0 | 110.9 | I8 Y9 E15 L16 F88 I89 | I8-T12 WeakPolarHBondContact O-CB 3Å; I8-T12 PolarHBondContact O-N 3.35Å; I8-T12 PolarHBondContact O-OG1 2.89Å; Y9-T12 PolarHBondContact O-N 3.41Å; T12-E15 PolarHBondContact O-N 3.37Å; T12-L16 HydrophobicContact CG2-CD1 4.06Å; T12-L16 HydrophobicContact CG2-CG 4.46Å; T12-L16 WeakPolarHBondContact O-CB 3.29Å; T12-L16 WeakPolarHBondContact O-CD1 3.13Å; T12-L16 WeakPolarHBondContact O-CG 3.14Å; T12-L16 PolarHBondContact O-N 3.43Å; T12-F88 HydrophobicContact CG2-CE1 4.31Å; T12-F88 HydrophobicContact CG2-CZ 4.39Å; T12-I89 HydrophobicContact CG2-CD1 3.61Å |
| 13 | I | 67.7 | Low | 61.8 | Low | 27 Ų | 27 | 66.1 Ų | 66.1 | 14% | 0.138 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64 | -42.9 | 176.9 | -68.8 | 157.8 | 0 | 0 | 0 | 110.7 | Y9 S10 S11 L16 V17 I40 A53 L55 | Y9-I13 VanDerWaalsContact O-CB 3.32Å; Y9-I13 WeakPolarHBondContact O-CB 3.13Å; Y9-I13 VanDerWaalsContact O-CD1 3.26Å; Y9-I13 WeakPolarHBondContact O-CD1 2.97Å; Y9-I13 WeakPolarHBondContact O-CG1 3.14Å; Y9-I13 PolarHBondContact O-N 2.9Å; S10-I13 PolarHBondContact O-N 2.82Å; S11-I13 PolarHBondContact O-N 2.91Å; I13-L16 PolarHBondContact O-N 2.74Å; I13-V17 HydrophobicContact CG2-CG2 4.49Å; I13-V17 VanDerWaalsContact O-CG2 3.27Å; I13-V17 WeakPolarHBondContact O-CG2 3.46Å; I13-V17 PolarHBondContact O-N 2.59Å; I13-I40 HydrophobicContact CD1-CD1 4.12Å; I13-I40 HydrophobicContact CD1-CG1 4.32Å; I13-A53 HydrophobicContact CD1-CB 3.32Å; I13-A53 HydrophobicContact CG1-CB 4.36Å; I13-L55 HydrophobicContact CG2-CB 4.41Å; I13-L55 HydrophobicContact CG2-CD2 4.35Å |
| 14 | K | 67.3 | Low | 61.7 | Low | 74 Ų | 74 | 62.1 Ų | 62.1 | 32% | 0.322 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 176.6 | -76.5 | 177.7 | -175.9 | -177.7 | 0 | 112 | S10 S11 V17 K18 L55 | S10-K14 WeakPolarHBondContact O-CB 3.29Å; S10-K14 VanDerWaalsContact O-CG 3.25Å; S10-K14 WeakPolarHBondContact O-CG 3.45Å; S10-K14 PolarHBondContact O-N 2.84Å; S11-K14 PolarHBondContact O-N 3.38Å; K14-V17 PolarHBondContact O-N 3.42Å; K14-K18 VanDerWaalsContact O-CB 3.31Å; K14-K18 WeakPolarHBondContact O-CB 3.25Å; K14-K18 VanDerWaalsContact O-CG 3.29Å; K14-K18 WeakPolarHBondContact O-CG 3.4Å; K14-K18 PolarHBondContact O-N 2.94Å; K14-L55 HydrophobicContact CG-CD1 4.43Å |
| 15 | E | 66.9 | Low | 61 | Low | 115 Ų | 115 | 59.3 Ų | 59.3 | 54% | 0.537 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.2 | -46.9 | 174.1 | -77.6 | -169.8 | 162.6 | 0 | 0 | 111.2 | S11 T12 V17 K18 I19 | S11-E15 WeakPolarHBondContact O-CG 3.36Å; S11-E15 PolarHBondContact O-N 2.81Å; T12-E15 PolarHBondContact O-N 3.37Å; E15-V17 VanDerWaalsContact C-N 3.26Å; E15-V17 PolarHBondContact O-N 3.35Å; E15-K18 PolarHBondContact O-N 3.27Å; E15-I19 VanDerWaalsContact O-CG1 3.22Å; E15-I19 WeakPolarHBondContact O-CG1 3.31Å; E15-I19 PolarHBondContact O-N 3.09Å |
| 16 | L | 63.2 | Low | 60.3 | Low | 26 Ų | 26 | 55.4 Ų | 55.4 | 14% | 0.136 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -54.9 | -44.7 | 175.3 | -75 | 166 | 0 | 0 | 0 | 111.4 | T12 I13 A20 Y83 I91 | T12-L16 HydrophobicContact CG2-CD1 4.06Å; T12-L16 HydrophobicContact CG2-CG 4.46Å; T12-L16 WeakPolarHBondContact O-CB 3.29Å; T12-L16 WeakPolarHBondContact O-CD1 3.13Å; T12-L16 WeakPolarHBondContact O-CG 3.14Å; T12-L16 PolarHBondContact O-N 3.43Å; I13-L16 PolarHBondContact O-N 2.74Å; L16-A20 VanDerWaalsContact O-CB 3.31Å; L16-A20 WeakPolarHBondContact O-CB 3.16Å; L16-A20 PolarHBondContact O-N 3.02Å; L16-Y83 HydrophobicContact CD2-CD1 3.79Å; L16-Y83 HydrophobicContact CD2-CG 3.73Å; L16-I91 HydrophobicContact CD1-CD1 4.18Å |
| 17 | V | 60.6 | Low | 59.7 | Low | 36 Ų | 36 | 58.9 Ų | 58.9 | 22% | 0.218 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -71.2 | -46.6 | 178.4 | -177.3 | 0 | 0 | 0 | 0 | 110.1 | I13 K14 E15 I19 A20 I21 F35 L55 V57 | I13-V17 HydrophobicContact CG2-CG2 4.49Å; I13-V17 VanDerWaalsContact O-CG2 3.27Å; I13-V17 WeakPolarHBondContact O-CG2 3.46Å; I13-V17 PolarHBondContact O-N 2.59Å; K14-V17 PolarHBondContact O-N 3.42Å; E15-V17 VanDerWaalsContact C-N 3.26Å; E15-V17 PolarHBondContact O-N 3.35Å; V17-I19 VanDerWaalsContact C-N 3.28Å; V17-I19 PolarHBondContact O-N 2.87Å; V17-A20 CarbonylContact O-C 3.6Å; V17-A20 WeakPolarHBondContact O-CA 3.17Å; V17-A20 WeakPolarHBondContact O-CB 2.82Å; V17-A20 PolarHBondContact O-N 3.03Å; V17-I21 HydrophobicContact CB-CD1 4.4Å; V17-I21 HydrophobicContact CG1-CD1 3.44Å; V17-I21 VanDerWaalsContact CG1-CD1 3.44Å; V17-I21 HydrophobicContact CG1-CG1 4.08Å; V17-I21 WeakPolarHBondContact O-CB 3.22Å; V17-I21 WeakPolarHBondContact O-CD1 3.43Å; V17-I21 WeakPolarHBondContact O-CG1 3.38Å; V17-I21 PolarHBondContact O-N 3.22Å; V17-F35 HydrophobicContact CB-CE1 4.23Å; V17-F35 HydrophobicContact CG1-CE1 3.96Å; V17-L55 HydrophobicContact CB-CD2 3.6Å; V17-L55 HydrophobicContact CG1-CD2 3.8Å; V17-L55 HydrophobicContact CG2-CD2 3.54Å; V17-V57 HydrophobicContact CG1-CG2 3.83Å |
| 18 | K | 62.1 | Low | 58.8 | Low | 124 Ų | 124 | 56 Ų | 56 | 54% | 0.539 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -51.7 | -42.6 | 175.3 | -83.1 | -179.9 | 177.5 | -173.1 | 0 | 113.2 | K14 E15 I21 F35 | K14-K18 VanDerWaalsContact O-CB 3.31Å; K14-K18 WeakPolarHBondContact O-CB 3.25Å; K14-K18 VanDerWaalsContact O-CG 3.29Å; K14-K18 WeakPolarHBondContact O-CG 3.4Å; K14-K18 PolarHBondContact O-N 2.94Å; E15-K18 PolarHBondContact O-N 3.27Å; K18-I21 WeakPolarHBondContact O-CB 3.42Å; K18-I21 PolarHBondContact O-N 2.7Å; K18-F35 HydrophobicContact CB-CZ 4.18Å; K18-F35 HydrophobicContact CD-CE2 4.41Å; K18-F35 HydrophobicContact CD-CZ 4.34Å; K18-F35 HydrophobicContact CG-CE1 3.94Å; K18-F35 HydrophobicContact CG-CE2 3.66Å; K18-F35 HydrophobicContact CG-CZ 3.2Å |
| 19 | I | 58.2 | Low | 58.4 | Low | 93 Ų | 93 | 58.2 Ų | 58.2 | 48% | 0.477 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -81.6 | -26.7 | -179 | -42.9 | 153.1 | 0 | 0 | 0 | 111.5 | E15 V17 I21 Y83 | E15-I19 VanDerWaalsContact O-CG1 3.22Å; E15-I19 WeakPolarHBondContact O-CG1 3.31Å; E15-I19 PolarHBondContact O-N 3.09Å; V17-I19 VanDerWaalsContact C-N 3.28Å; V17-I19 PolarHBondContact O-N 2.87Å; I19-I21 PolarHBondContact O-N 2.96Å; I19-Y83 HydrophobicContact CB-CE2 4.06Å; I19-Y83 WeakPolarHBondContact CB-OH 3.49Å; I19-Y83 HydrophobicContact CD1-CE1 4.04Å; I19-Y83 HydrophobicContact CG2-CE2 4.2Å; I19-Y83 WeakPolarHBondContact CG2-OH 3.45Å |
| 20 | A | 54 | Low | 58.2 | Low | 9 Ų | 9 | 56.9 Ų | 56.9 | 7% | 0.074 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.2 | -19.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L16 V17 H22 L76 N79 | L16-A20 VanDerWaalsContact O-CB 3.31Å; L16-A20 WeakPolarHBondContact O-CB 3.16Å; L16-A20 PolarHBondContact O-N 3.02Å; V17-A20 CarbonylContact O-C 3.6Å; V17-A20 WeakPolarHBondContact O-CA 3.17Å; V17-A20 WeakPolarHBondContact O-CB 2.82Å; V17-A20 PolarHBondContact O-N 3.03Å; A20-H22 PolarHBondContact O-N 2.89Å; A20-L76 HydrophobicContact CB-CD2 3.99Å; A20-N79 HydrophobicContact CB-CB 3.85Å; A20-N79 PolarHBondContact O-ND2 3.36Å; A20-N79 VanDerWaalsContact O-ND2 3.09Å |
| 21 | I | 52.6 | Low | 58.1 | Low | 16 Ų | 16 | 58.6 Ų | 58.6 | 8% | 0.082 | 36% | 0.361 | C | S | . | . | trans | -87.8 | 89.4 | -178.7 | -66.7 | 160.1 | 0 | 0 | 0 | 110.2 | V17 K18 I19 P23 V33 F35 V57 F59 | V17-I21 HydrophobicContact CB-CD1 4.4Å; V17-I21 HydrophobicContact CG1-CD1 3.44Å; V17-I21 VanDerWaalsContact CG1-CD1 3.44Å; V17-I21 HydrophobicContact CG1-CG1 4.08Å; V17-I21 WeakPolarHBondContact O-CB 3.22Å; V17-I21 WeakPolarHBondContact O-CD1 3.43Å; V17-I21 WeakPolarHBondContact O-CG1 3.38Å; V17-I21 PolarHBondContact O-N 3.22Å; K18-I21 WeakPolarHBondContact O-CB 3.42Å; K18-I21 PolarHBondContact O-N 2.7Å; I19-I21 PolarHBondContact O-N 2.96Å; I21-P23 VanDerWaalsContact CG2-CD 3.46Å; I21-P23 HydrophobicContact CG2-CG 4.26Å; I21-V33 HydrophobicContact CD1-CG1 3.75Å; I21-V33 HydrophobicContact CG2-CB 4.46Å; I21-V33 HydrophobicContact CG2-CG1 4.19Å; I21-V33 HydrophobicContact CG2-CG2 3.51Å; I21-F35 HydrophobicContact CD1-CE1 3.63Å; I21-F35 HydrophobicContact CD1-CZ 3.43Å; I21-F35 VanDerWaalsContact CD1-CZ 3.43Å; I21-V57 HydrophobicContact CD1-CG1 4.22Å; I21-F59 HydrophobicContact CB-CE1 4.25Å; I21-F59 HydrophobicContact CD1-CE1 3.81Å; I21-F59 HydrophobicContact CD1-CZ 4Å; I21-F59 HydrophobicContact CG1-CE1 3.59Å; I21-F59 HydrophobicContact CG1-CZ 3.75Å; I21-F59 HydrophobicContact CG2-CD1 4.3Å; I21-F59 HydrophobicContact CG2-CE1 3.59Å | ||
| 22 | H | 51 | Low | 58.4 | Low | 140 Ų | 140 | 61 Ų | 61 | 65% | 0.648 | 37% | 0.365 | S | S | * | . | trans | -131.9 | 73.9 | 137.6 | -115.4 | -85.6 | 0 | 0 | 0 | 106.6 | A20 G24 | A20-H22 PolarHBondContact O-N 2.89Å; H22-G24 VanDerWaalsContact C-N 3.26Å; H22-G24 PolarHBondContact O-N 2.91Å | ||
| 23 | P | 52.6 | Low | 58.7 | Low | 4 Ų | 4 | 61.8 Ų | 61.8 | 3% | 0.026 | 37% | 0.369 | C | S | . | . | trans | -74.2 | 94.4 | -180 | 32.8 | -34.4 | 0 | 0 | 0 | 107 | I21 S25 C30 F59 Y61 I72 | I21-P23 VanDerWaalsContact CG2-CD 3.46Å; I21-P23 HydrophobicContact CG2-CG 4.26Å; P23-S25 PolarHBondContact O-N 3.29Å; P23-C30 HydrophobicContact CG-CB 4.22Å; P23-F59 HydrophobicContact CG-CD1 3.71Å; P23-F59 HydrophobicContact CG-CE1 3.87Å; P23-F59 HydrophobicContact CG-CG 4.26Å; P23-F59 HydrophobicContact CG-CZ 4.49Å; P23-Y61 VanDerWaalsContact CB-OH 3.25Å; P23-Y61 WeakPolarHBondContact CB-OH 3Å; P23-Y61 VanDerWaalsContact CG-OH 3.29Å; P23-Y61 WeakPolarHBondContact CG-OH 3.45Å; P23-Y61 PolarHBondContact O-OH 3.27Å; P23-I72 HydrophobicContact CB-CB 4.41Å; P23-I72 HydrophobicContact CB-CG1 4.02Å; P23-I72 HydrophobicContact CB-CG2 3.82Å | ||
| 24 | G | 47 | Very low | 59.3 | Low | 47 Ų | 47 | 63.6 Ų | 63.6 | 49% | 0.485 | 38% | 0.379 | S | S | . | . | trans | -68.9 | 121.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | H22 | H22-G24 VanDerWaalsContact C-N 3.26Å; H22-G24 PolarHBondContact O-N 2.91Å | ||
| 25 | S | 44.7 | Very low | 59.8 | Low | 11 Ų | 11 | 62.6 Ų | 62.6 | 8% | 0.077 | 37% | 0.374 | C | S | . | . | trans | -143.5 | 111.4 | 161.9 | -161 | 0 | 0 | 0 | 0 | 109.1 | P23 K66 L67 N68 | P23-S25 PolarHBondContact O-N 3.29Å; S25-K66 CarbonylContact C-O 3.52Å; S25-K66 PolarHBondContact OG-O 3.09Å; S25-L67 WeakPolarHBondContact OG-CA 3.45Å; S25-N68 PolarHBondContact OG-N 3.1Å | ||
| 26 | D | 46.9 | Very low | 60.3 | Low | 59 Ų | 59 | 59.5 Ų | 59.5 | 32% | 0.316 | 36% | 0.363 | S | S | . | . | S | Bend | trans | 65.4 | 68.6 | 178 | 178.3 | 32.8 | 0 | 0 | 0 | 119.2 | G28 K66 | D26-G28 WeakPolarHBondContact O-CA 3.44Å; D26-G28 PolarHBondContact O-N 3.09Å; D26-K66 HydrophobicContact CB-CB 3.08Å; D26-K66 HydrophobicContact CB-CD 3.95Å; D26-K66 HydrophobicContact CB-CG 3.97Å; D26-K66 VanDerWaalsContact CB-O 3.29Å; D26-K66 WeakPolarHBondContact CB-O 3.25Å; D26-K66 VanDerWaalsContact CG-CE 3.47Å; D26-K66 VanDerWaalsContact OD1-CD 3.26Å; D26-K66 WeakPolarHBondContact OD1-CD 3.49Å; D26-K66 WeakPolarHBondContact OD1-CE 3.34Å; D26-K66 IonicContact OD1-NZ 2.61Å; D26-K66 PolarHBondContact OD1-NZ 3.45Å; D26-K66 WeakPolarHBondContact OD2-CB 3.36Å; D26-K66 WeakPolarHBondContact OD2-CD 3.36Å; D26-K66 WeakPolarHBondContact OD2-CE 3.01Å; D26-K66 WeakPolarHBondContact OD2-CG 3.43Å; D26-K66 IonicContact OD2-NZ 2.82Å; D26-K66 PolarHBondContact OD2-NZ 2.94Å |
| 27 | G | 52.4 | Low | 60.9 | Low | 99 Ų | 99 | 66.9 Ų | 66.9 | 100% | 1.021 | 39% | 0.394 | S | S | * | . | S | Bend | trans | 58.1 | 5.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 28 | G | 47.7 | Very low | 61.5 | Low | 36 Ų | 36 | 65.6 Ų | 65.6 | 37% | 0.371 | 39% | 0.387 | S | S | . | . | trans | -132.8 | 121.5 | -162.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | D26 | D26-G28 WeakPolarHBondContact O-CA 3.44Å; D26-G28 PolarHBondContact O-N 3.09Å | ||
| 29 | L | 59.3 | Low | 62.1 | Low | 144 Ų | 144 | 64.7 Ų | 64.7 | 75% | 0.754 | 39% | 0.387 | S | S | * | . | trans | -58.4 | 138.8 | -179 | -61.1 | 159.3 | 0 | 0 | 0 | 108.7 | G31 | L29-G31 PolarHBondContact O-N 3.22Š| ||
| 30 | C | 63.8 | Low | 62.8 | Low | 28 Ų | 28 | 62.1 Ų | 62.1 | 19% | 0.189 | 37% | 0.374 | C | S | . | . | trans | -54.3 | 119.2 | 161.8 | 179.1 | 0 | 0 | 0 | 0 | 107 | P23 V33 Y61 | P23-C30 HydrophobicContact CG-CB 4.22Å; C30-V33 VanDerWaalsContact SG-CG2 3.58Å; C30-Y61 HydrophobicContact CB-CE1 4.23Å | ||
| 31 | G | 66.2 | Low | 63.8 | Low | 55 Ų | 55 | 65.9 Ų | 65.9 | 57% | 0.567 | 39% | 0.392 | S | S | * | . | trans | -71.6 | -51.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | L29 L60 | L29-G31 PolarHBondContact O-N 3.22Å; G31-L60 PolarHBondContact N-O 3.2Å | ||
| 32 | E | 75.4 | Confident | 64.6 | Low | 113 Ų | 113 | 69.6 Ų | 69.6 | 53% | 0.528 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 146.2 | 178.8 | -174.5 | 177.7 | -174.5 | 0 | 0 | 111.5 | I34 L60 | E32-I34 HydrophobicContact CG-CG1 4.16Å; E32-L60 HydrophobicContact CB-CB 4.24Å; E32-L60 HydrophobicContact CB-CD1 4.17Å; E32-L60 PolarHBondContact N-O 3.37Å; E32-L60 PolarHBondContact O-N 3.25Å |
| 33 | V | 74.1 | Confident | 65.5 | Low | 41 Ų | 41 | 66 Ų | 66 | 25% | 0.248 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 113.1 | 176.3 | -176.5 | 0 | 0 | 0 | 0 | 108.3 | I21 C30 F35 V57 F59 | I21-V33 HydrophobicContact CD1-CG1 3.75Å; I21-V33 HydrophobicContact CG2-CB 4.46Å; I21-V33 HydrophobicContact CG2-CG1 4.19Å; I21-V33 HydrophobicContact CG2-CG2 3.51Å; C30-V33 VanDerWaalsContact SG-CG2 3.58Å; V33-F35 HydrophobicContact CB-CE2 4.13Å; V33-F35 HydrophobicContact CG1-CD2 4.09Å; V33-F35 HydrophobicContact CG1-CE1 4.34Å; V33-F35 HydrophobicContact CG1-CE2 3.46Å; V33-F35 VanDerWaalsContact CG1-CE2 3.46Å; V33-F35 HydrophobicContact CG1-CZ 3.6Å; V33-V57 HydrophobicContact CG1-CG1 3.7Å; V33-F59 HydrophobicContact CG1-CD1 4.21Å; V33-F59 HydrophobicContact CG1-CE1 3.89Å; V33-F59 HydrophobicContact CG2-CD1 4.12Å; V33-F59 HydrophobicContact CG2-CE1 4.27Å |
| 34 | I | 79.7 | Confident | 65.7 | Low | 65 Ų | 65 | 68.6 Ų | 68.6 | 33% | 0.333 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 113.7 | 177.8 | -55.3 | 173.7 | 0 | 0 | 0 | 108.7 | E32 K58 L60 | E32-I34 HydrophobicContact CG-CG1 4.16Å; I34-K58 HydrophobicContact CB-CB 4.26Å; I34-K58 PolarHBondContact N-O 3.25Å; I34-K58 PolarHBondContact O-N 2.9Å; I34-L60 HydrophobicContact CD1-CD1 3.78Å; I34-L60 HydrophobicContact CD1-CG 4.46Å; I34-L60 HydrophobicContact CG1-CD1 4.45Å |
| 35 | F | 77.9 | Confident | 66 | Low | 53 Ų | 53 | 69.2 Ų | 69.2 | 23% | 0.232 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 121 | 171.3 | -63.7 | -89.1 | 0 | 0 | 0 | 109.5 | V17 K18 I21 V33 L55 V57 | V17-F35 HydrophobicContact CB-CE1 4.23Å; V17-F35 HydrophobicContact CG1-CE1 3.96Å; K18-F35 HydrophobicContact CB-CZ 4.18Å; K18-F35 HydrophobicContact CD-CE2 4.41Å; K18-F35 HydrophobicContact CD-CZ 4.34Å; K18-F35 HydrophobicContact CG-CE1 3.94Å; K18-F35 HydrophobicContact CG-CE2 3.66Å; K18-F35 HydrophobicContact CG-CZ 3.2Å; I21-F35 HydrophobicContact CD1-CE1 3.63Å; I21-F35 HydrophobicContact CD1-CZ 3.43Å; I21-F35 VanDerWaalsContact CD1-CZ 3.43Å; V33-F35 HydrophobicContact CB-CE2 4.13Å; V33-F35 HydrophobicContact CG1-CD2 4.09Å; V33-F35 HydrophobicContact CG1-CE1 4.34Å; V33-F35 HydrophobicContact CG1-CE2 3.46Å; V33-F35 VanDerWaalsContact CG1-CE2 3.46Å; V33-F35 HydrophobicContact CG1-CZ 3.6Å; F35-L55 HydrophobicContact CD1-CD2 3.97Å; F35-L55 HydrophobicContact CE1-CD2 4.32Å; F35-V57 HydrophobicContact CD1-CG2 4.1Å; F35-V57 HydrophobicContact CE1-CG2 4.32Å |
| 36 | T | 77.9 | Confident | 66.5 | Low | 50 Ų | 50 | 72 Ų | 72 | 31% | 0.307 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -83 | 172 | 166 | 69.8 | 0 | 0 | 0 | 0 | 110.1 | A38 L55 P56 | T36-A38 PolarHBondContact O-N 2.82Å; T36-L55 WeakPolarHBondContact O-CD1 3.13Å; T36-P56 HydrophobicContact CG2-CB 4.39Å; T36-P56 PolarHBondContact N-O 3.38Å; T36-P56 VanDerWaalsContact N-O 3.09Å; T36-P56 WeakPolarHBondContact OG1-CB 3.32Å; T36-P56 WeakPolarHBondContact OG1-CD 3.2Å; T36-P56 WeakPolarHBondContact OG1-CG 3.34Å; T36-P56 PolarHBondContact OG1-O 3.19Å |
| 37 | K | 74.2 | Confident | 67 | Low | 182 Ų | 182 | 77.6 Ų | 77.6 | 79% | 0.791 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 125.8 | 178.4 | -174.3 | 176.2 | 179 | 179.2 | 0 | 109.7 | I39 | K37-I39 PolarHBondContact O-N 2.77Š|
| 38 | A | 73.2 | Confident | 67.2 | Low | 8 Ų | 8 | 79.7 Ų | 79.7 | 7% | 0.066 | 48% | 0.48 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 131.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | T36 I40 A54 L55 | T36-A38 PolarHBondContact O-N 2.82Å; A38-I40 HydrophobicContact CB-CD1 4.31Å; A38-I40 HydrophobicContact CB-CG1 4.09Å; A38-A54 CarbonylContact C-O 3.57Å; A38-A54 WeakPolarHBondContact CA-O 3.44Å; A38-L55 HydrophobicContact CB-CD1 3.81Å |
| 39 | I | 75 | Confident | 68.2 | Low | 105 Ų | 105 | 87.7 Ų | 87.7 | 54% | 0.538 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 116.2 | 167.5 | -57 | 172.9 | 0 | 0 | 0 | 106.2 | K37 I41 A53 A54 | K37-I39 PolarHBondContact O-N 2.77Å; I39-I41 HydrophobicContact CG2-CG1 4.45Å; I39-A53 CarbonylContact O-C 3.52Å; I39-A53 VanDerWaalsContact O-CA 3.23Å; I39-A53 WeakPolarHBondContact O-CA 3.35Å; I39-A54 HydrophobicContact CB-CB 4.38Å; I39-A54 PolarHBondContact N-O 3.44Å; I39-A54 PolarHBondContact O-N 2.83Å |
| 40 | I | 72.4 | Confident | 68.7 | Low | 40 Ų | 40 | 82 Ų | 82 | 21% | 0.205 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 118.1 | -178.2 | -57.4 | 175.8 | 0 | 0 | 0 | 108 | A6 S10 I13 A38 I51 A53 | A6-I40 WeakPolarHBondContact O-CD1 3.46Å; S10-I40 VanDerWaalsContact CA-CD1 3.44Å; I13-I40 HydrophobicContact CD1-CD1 4.12Å; I13-I40 HydrophobicContact CD1-CG1 4.32Å; A38-I40 HydrophobicContact CB-CD1 4.31Å; A38-I40 HydrophobicContact CB-CG1 4.09Å; I40-I51 HydrophobicContact CG2-CG2 3.54Å; I40-A53 HydrophobicContact CG1-CB 4.26Å |
| 41 | I | 75.4 | Confident | 69 | Low | 88 Ų | 88 | 83.6 Ų | 83.6 | 45% | 0.451 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 115.8 | 174.7 | -56.5 | 174.3 | 0 | 0 | 0 | 106.7 | I39 T43 Q52 | I39-I41 HydrophobicContact CG2-CG1 4.45Å; I41-T43 HydrophobicContact CG2-CG2 4.19Å; I41-T43 PolarHBondContact O-N 3.3Å; I41-Q52 HydrophobicContact CB-CB 4.37Å; I41-Q52 PolarHBondContact N-O 3.4Å; I41-Q52 PolarHBondContact O-N 3.49Å |
| 42 | L | 69.3 | Low | 69.4 | Low | 93 Ų | 93 | 86.9 Ų | 86.9 | 49% | 0.487 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 114.8 | 168.2 | -61 | 176.9 | 0 | 0 | 0 | 107.3 | Y9 I51 | Y9-L42 HydrophobicContact CD2-CD2 4.29Å; Y9-L42 HydrophobicContact CE2-CD2 4.31Å; L42-I51 HydrophobicContact CD2-CD1 4.05Å; L42-I51 HydrophobicContact CD2-CG1 3.8Å; L42-I51 HydrophobicContact CD2-CG2 4.36Å |
| 43 | T | 70.2 | Confident | 69.2 | Low | 66 Ų | 66 | 83.6 Ų | 83.6 | 41% | 0.405 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 121.5 | 170.5 | 53.2 | 0 | 0 | 0 | 0 | 107.8 | I41 G50 | I41-T43 HydrophobicContact CG2-CG2 4.19Å; I41-T43 PolarHBondContact O-N 3.3Å; T43-G50 PolarHBondContact N-O 2.85Å; T43-G50 PolarHBondContact O-N 3.24Å; T43-G50 VanDerWaalsContact OG1-C 3.29Å; T43-G50 WeakPolarHBondContact OG1-CA 3.15Å; T43-G50 PolarHBondContact OG1-O 3.45Å |
| 44 | G | 57.2 | Low | 69.3 | Low | 58 Ų | 58 | 84.1 Ų | 84.1 | 60% | 0.598 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 120.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 45 | G | 52.9 | Low | 69.2 | Low | 59 Ų | 59 | 82.7 Ų | 82.7 | 61% | 0.608 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 112.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | L48 | G45-L48 PolarHBondContact N-O 2.9Å |
| 46 | G | 56.3 | Low | 69.3 | Low | 70 Ų | 70 | 83.2 Ų | 83.2 | 72% | 0.722 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.2 | -131.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L48 | G46-L48 VanDerWaalsContact C-N 3.31Å; G46-L48 PolarHBondContact O-N 3.41Å |
| 47 | L | 55.8 | Low | 69.2 | Low | 176 Ų | 176 | 82.6 Ų | 82.6 | 92% | 0.921 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -7.5 | -176.4 | -72.4 | 164.3 | 0 | 0 | 0 | 114.1 | ||
| 48 | L | 57.7 | Low | 69.5 | Low | 143 Ų | 143 | 80.4 Ų | 80.4 | 75% | 0.749 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112 | 110.1 | -175 | -62.4 | 176 | 0 | 0 | 0 | 109.9 | G45 G46 | G45-L48 PolarHBondContact N-O 2.9Å; G46-L48 VanDerWaalsContact C-N 3.31Å; G46-L48 PolarHBondContact O-N 3.41Å |
| 49 | Y | 67.8 | Low | 69.6 | Low | 204 Ų | 204 | 82.6 Ų | 82.6 | 80% | 0.8 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 121.1 | 164.1 | -65.6 | -79.5 | 0 | 0 | 0 | 108.2 | ||
| 50 | G | 70.1 | Confident | 69.6 | Low | 25 Ų | 25 | 80.5 Ų | 80.5 | 26% | 0.258 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 160.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | T43 | T43-G50 PolarHBondContact N-O 2.85Å; T43-G50 PolarHBondContact O-N 3.24Å; T43-G50 VanDerWaalsContact OG1-C 3.29Å; T43-G50 WeakPolarHBondContact OG1-CA 3.15Å; T43-G50 PolarHBondContact OG1-O 3.45Å |
| 51 | I | 71 | Confident | 69.7 | Low | 61 Ų | 61 | 80.8 Ų | 80.8 | 31% | 0.313 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 116.4 | 173.7 | -54.5 | -179.4 | 0 | 0 | 0 | 106.2 | Y9 I40 L42 | Y9-I51 HydrophobicContact CD1-CD1 3.34Å; Y9-I51 HydrophobicContact CD2-CD1 3.43Å; Y9-I51 VanDerWaalsContact CD2-CD1 3.43Å; Y9-I51 HydrophobicContact CE1-CD1 3.22Å; Y9-I51 HydrophobicContact CE2-CD1 3.31Å; Y9-I51 HydrophobicContact CG-CD1 3.47Å; Y9-I51 VanDerWaalsContact CG-CD1 3.47Å; I40-I51 HydrophobicContact CG2-CG2 3.54Å; L42-I51 HydrophobicContact CD2-CD1 4.05Å; L42-I51 HydrophobicContact CD2-CG1 3.8Å; L42-I51 HydrophobicContact CD2-CG2 4.36Å |
| 52 | Q | 73.8 | Confident | 69.4 | Low | 125 Ų | 125 | 82.5 Ų | 82.5 | 58% | 0.584 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 124.8 | 166.7 | -178.1 | 173.6 | -7 | 0 | 0 | 107.6 | I41 | I41-Q52 HydrophobicContact CB-CB 4.37Å; I41-Q52 PolarHBondContact N-O 3.4Å; I41-Q52 PolarHBondContact O-N 3.49Å |
| 53 | A | 71.9 | Confident | 69.3 | Low | 43 Ų | 43 | 82.5 Ų | 82.5 | 36% | 0.355 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 136.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | I13 I39 I40 | I13-A53 HydrophobicContact CD1-CB 3.32Å; I13-A53 HydrophobicContact CG1-CB 4.36Å; I39-A53 CarbonylContact O-C 3.52Å; I39-A53 VanDerWaalsContact O-CA 3.23Å; I39-A53 WeakPolarHBondContact O-CA 3.35Å; I40-A53 HydrophobicContact CG1-CB 4.26Å |
| 54 | A | 76.7 | Confident | 69 | Low | 52 Ų | 52 | 83.7 Ų | 83.7 | 43% | 0.43 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 123.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | A38 I39 | A38-A54 CarbonylContact C-O 3.57Å; A38-A54 WeakPolarHBondContact CA-O 3.44Å; I39-A54 HydrophobicContact CB-CB 4.38Å; I39-A54 PolarHBondContact N-O 3.44Å; I39-A54 PolarHBondContact O-N 2.83Å |
| 55 | L | 77.2 | Confident | 69 | Low | 35 Ų | 35 | 89.6 Ų | 89.6 | 18% | 0.183 | 50% | 0.495 | C | S | . | . | trans | -119 | 101.9 | 174.6 | -177.5 | 70.3 | 0 | 0 | 0 | 108.9 | I13 K14 V17 F35 T36 A38 V57 | I13-L55 HydrophobicContact CG2-CB 4.41Å; I13-L55 HydrophobicContact CG2-CD2 4.35Å; K14-L55 HydrophobicContact CG-CD1 4.43Å; V17-L55 HydrophobicContact CB-CD2 3.6Å; V17-L55 HydrophobicContact CG1-CD2 3.8Å; V17-L55 HydrophobicContact CG2-CD2 3.54Å; F35-L55 HydrophobicContact CD1-CD2 3.97Å; F35-L55 HydrophobicContact CE1-CD2 4.32Å; T36-L55 WeakPolarHBondContact O-CD1 3.13Å; A38-L55 HydrophobicContact CB-CD1 3.81Å; L55-V57 HydrophobicContact CD2-CG2 3.86Å; L55-V57 HydrophobicContact CG-CG2 3.82Å; L55-V57 PolarHBondContact O-N 3.48Å | ||
| 56 | P | 79.8 | Confident | 69.3 | Low | 65 Ų | 65 | 92.6 Ų | 92.6 | 42% | 0.422 | 49% | 0.491 | S | S | . | . | trans | -71.7 | 125.6 | 169.6 | -6.4 | 20.1 | 0 | 0 | 0 | 109.4 | T36 | T36-P56 HydrophobicContact CG2-CB 4.39Å; T36-P56 PolarHBondContact N-O 3.38Å; T36-P56 VanDerWaalsContact N-O 3.09Å; T36-P56 WeakPolarHBondContact OG1-CB 3.32Å; T36-P56 WeakPolarHBondContact OG1-CD 3.2Å; T36-P56 WeakPolarHBondContact OG1-CG 3.34Å; T36-P56 PolarHBondContact OG1-O 3.19Å | ||
| 57 | V | 76.4 | Confident | 69.8 | Low | 36 Ų | 36 | 91.5 Ų | 91.5 | 22% | 0.218 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 135 | 178 | -176 | 0 | 0 | 0 | 0 | 108.5 | V17 I21 V33 F35 L55 F59 | V17-V57 HydrophobicContact CG1-CG2 3.83Å; I21-V57 HydrophobicContact CD1-CG1 4.22Å; V33-V57 HydrophobicContact CG1-CG1 3.7Å; F35-V57 HydrophobicContact CD1-CG2 4.1Å; F35-V57 HydrophobicContact CE1-CG2 4.32Å; L55-V57 HydrophobicContact CD2-CG2 3.86Å; L55-V57 HydrophobicContact CG-CG2 3.82Å; L55-V57 PolarHBondContact O-N 3.48Å; V57-F59 HydrophobicContact CB-CE2 4.26Å; V57-F59 HydrophobicContact CB-CZ 4.16Å; V57-F59 HydrophobicContact CG1-CD1 4.35Å; V57-F59 HydrophobicContact CG1-CD2 4.46Å; V57-F59 HydrophobicContact CG1-CE1 3.71Å; V57-F59 HydrophobicContact CG1-CE2 3.88Å; V57-F59 HydrophobicContact CG1-CZ 3.46Å; V57-F59 VanDerWaalsContact CG1-CZ 3.46Å |
| 58 | K | 79.5 | Confident | 70.5 | Confident | 136 Ų | 136 | 87.3 Ų | 87.3 | 59% | 0.591 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 132.1 | 169.4 | -62.2 | -176.4 | 175.1 | -172.7 | 0 | 109.3 | I34 | I34-K58 HydrophobicContact CB-CB 4.26Å; I34-K58 PolarHBondContact N-O 3.25Å; I34-K58 PolarHBondContact O-N 2.9Å |
| 59 | F | 76.1 | Confident | 71.3 | Confident | 55 Ų | 55 | 82.2 Ų | 82.2 | 24% | 0.241 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 119.1 | 172.5 | -60.2 | -72.1 | 0 | 0 | 0 | 108.3 | I21 P23 V33 V57 Y61 | I21-F59 HydrophobicContact CB-CE1 4.25Å; I21-F59 HydrophobicContact CD1-CE1 3.81Å; I21-F59 HydrophobicContact CD1-CZ 4Å; I21-F59 HydrophobicContact CG1-CE1 3.59Å; I21-F59 HydrophobicContact CG1-CZ 3.75Å; I21-F59 HydrophobicContact CG2-CD1 4.3Å; I21-F59 HydrophobicContact CG2-CE1 3.59Å; P23-F59 HydrophobicContact CG-CD1 3.71Å; P23-F59 HydrophobicContact CG-CE1 3.87Å; P23-F59 HydrophobicContact CG-CG 4.26Å; P23-F59 HydrophobicContact CG-CZ 4.49Å; V33-F59 HydrophobicContact CG1-CD1 4.21Å; V33-F59 HydrophobicContact CG1-CE1 3.89Å; V33-F59 HydrophobicContact CG2-CD1 4.12Å; V33-F59 HydrophobicContact CG2-CE1 4.27Å; V57-F59 HydrophobicContact CB-CE2 4.26Å; V57-F59 HydrophobicContact CB-CZ 4.16Å; V57-F59 HydrophobicContact CG1-CD1 4.35Å; V57-F59 HydrophobicContact CG1-CD2 4.46Å; V57-F59 HydrophobicContact CG1-CE1 3.71Å; V57-F59 HydrophobicContact CG1-CE2 3.88Å; V57-F59 HydrophobicContact CG1-CZ 3.46Å; V57-F59 VanDerWaalsContact CG1-CZ 3.46Å; F59-Y61 HydrophobicContact CB-CD2 4.2Å; F59-Y61 HydrophobicContact CB-CE2 3.49Å; F59-Y61 VanDerWaalsContact CB-CE2 3.49Å |
| 60 | L | 74.7 | Confident | 71.7 | Confident | 60 Ų | 60 | 77.8 Ų | 77.8 | 31% | 0.314 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 122.6 | 174.8 | -65 | 176.8 | 0 | 0 | 0 | 108.8 | G31 E32 I34 I103 | G31-L60 PolarHBondContact N-O 3.2Å; E32-L60 HydrophobicContact CB-CB 4.24Å; E32-L60 HydrophobicContact CB-CD1 4.17Å; E32-L60 PolarHBondContact N-O 3.37Å; E32-L60 PolarHBondContact O-N 3.25Å; I34-L60 HydrophobicContact CD1-CD1 3.78Å; I34-L60 HydrophobicContact CD1-CG 4.46Å; I34-L60 HydrophobicContact CG1-CD1 4.45Å; L60-I103 HydrophobicContact CD2-CD1 4.32Å |
| 61 | Y | 73.2 | Confident | 71.9 | Confident | 47 Ų | 47 | 79.2 Ų | 79.2 | 18% | 0.184 | 42% | 0.417 | C | S | . | . | trans | -113.6 | 136.6 | 174.1 | -63.8 | -90 | 0 | 0 | 0 | 108.5 | P23 C30 F59 N63 L67 I72 | P23-Y61 VanDerWaalsContact CB-OH 3.25Å; P23-Y61 WeakPolarHBondContact CB-OH 3Å; P23-Y61 VanDerWaalsContact CG-OH 3.29Å; P23-Y61 WeakPolarHBondContact CG-OH 3.45Å; P23-Y61 PolarHBondContact O-OH 3.27Å; C30-Y61 HydrophobicContact CB-CE1 4.23Å; F59-Y61 HydrophobicContact CB-CD2 4.2Å; F59-Y61 HydrophobicContact CB-CE2 3.49Å; F59-Y61 VanDerWaalsContact CB-CE2 3.49Å; Y61-N63 PolarHBondContact O-N 3.44Å; Y61-L67 HydrophobicContact CD1-CD2 3.76Å; Y61-L67 HydrophobicContact CD2-CD1 4Å; Y61-L67 HydrophobicContact CD2-CD2 3.5Å; Y61-L67 VanDerWaalsContact CD2-CD2 3.5Å; Y61-L67 HydrophobicContact CD2-CG 4.4Å; Y61-L67 HydrophobicContact CE1-CD2 3.87Å; Y61-L67 HydrophobicContact CE2-CD1 4.36Å; Y61-L67 HydrophobicContact CE2-CD2 3.59Å; Y61-L67 HydrophobicContact CG-CD2 3.56Å; Y61-I72 WeakPolarHBondContact OH-CD1 3.31Å | ||
| 62 | S | 70 | Confident | 72 | Confident | 124 Ų | 124 | 76.9 Ų | 76.9 | 87% | 0.867 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -71.9 | -14.3 | 178.2 | -52.9 | 0 | 0 | 0 | 0 | 113.2 | ||
| 63 | N | 66.1 | Low | 72.1 | Confident | 93 Ų | 93 | 71.7 Ų | 71.7 | 50% | 0.497 | 38% | 0.381 | S | S | . | . | trans | -138.1 | 125.4 | 179.8 | -165.9 | -26.2 | 0 | 0 | 0 | 110 | Y61 Y65 | Y61-N63 PolarHBondContact O-N 3.44Å; N63-Y65 WeakPolarHBondContact OD1-CB 3.36Å; N63-Y65 WeakPolarHBondContact OD1-CD2 3.31Å; N63-Y65 PolarHBondContact OD1-N 3.17Å | ||
| 64 | E | 64.1 | Low | 72.4 | Confident | 91 Ų | 91 | 74 Ų | 74 | 43% | 0.425 | 39% | 0.387 | S | S | . | . | trans | -74.1 | -26 | 179.4 | 63.7 | -178.3 | 171.2 | 0 | 0 | 113 | K66 T102 | E64-K66 PolarHBondContact O-N 3.4Å; E64-T102 WeakPolarHBondContact OE2-CG2 3.4Å; E64-T102 PolarHBondContact OE2-OG1 3.42Å | ||
| 65 | Y | 57.4 | Low | 72.4 | Confident | 181 Ų | 181 | 75 Ų | 75 | 71% | 0.71 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -5.8 | -155 | -86.5 | -74.5 | 0 | 0 | 0 | 116 | N63 | N63-Y65 WeakPolarHBondContact OD1-CB 3.36Å; N63-Y65 WeakPolarHBondContact OD1-CD2 3.31Å; N63-Y65 PolarHBondContact OD1-N 3.17Å |
| 66 | K | 59.6 | Low | 72.2 | Confident | 123 Ų | 123 | 74.5 Ų | 74.5 | 54% | 0.535 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -150.8 | 54 | -179.5 | -57.4 | -166.6 | -130.6 | 132.3 | 0 | 112.5 | S25 D26 E64 N68 | S25-K66 CarbonylContact C-O 3.52Å; S25-K66 PolarHBondContact OG-O 3.09Å; D26-K66 HydrophobicContact CB-CB 3.08Å; D26-K66 HydrophobicContact CB-CD 3.95Å; D26-K66 HydrophobicContact CB-CG 3.97Å; D26-K66 VanDerWaalsContact CB-O 3.29Å; D26-K66 WeakPolarHBondContact CB-O 3.25Å; D26-K66 VanDerWaalsContact CG-CE 3.47Å; D26-K66 VanDerWaalsContact OD1-CD 3.26Å; D26-K66 WeakPolarHBondContact OD1-CD 3.49Å; D26-K66 WeakPolarHBondContact OD1-CE 3.34Å; D26-K66 IonicContact OD1-NZ 2.61Å; D26-K66 PolarHBondContact OD1-NZ 3.45Å; D26-K66 WeakPolarHBondContact OD2-CB 3.36Å; D26-K66 WeakPolarHBondContact OD2-CD 3.36Å; D26-K66 WeakPolarHBondContact OD2-CE 3.01Å; D26-K66 WeakPolarHBondContact OD2-CG 3.43Å; D26-K66 IonicContact OD2-NZ 2.82Å; D26-K66 PolarHBondContact OD2-NZ 2.94Å; E64-K66 PolarHBondContact O-N 3.4Å; K66-N68 PolarHBondContact O-N 3.48Å |
| 67 | L | 65.9 | Low | 72.1 | Confident | 47 Ų | 47 | 75.5 Ų | 75.5 | 25% | 0.246 | 38% | 0.378 | C | S | . | . | trans | -78.9 | 103.2 | 163.7 | -66.1 | -177.3 | 0 | 0 | 0 | 111.6 | S25 Y61 I69 I72 I100 | S25-L67 WeakPolarHBondContact OG-CA 3.45Å; Y61-L67 HydrophobicContact CD1-CD2 3.76Å; Y61-L67 HydrophobicContact CD2-CD1 4Å; Y61-L67 HydrophobicContact CD2-CD2 3.5Å; Y61-L67 VanDerWaalsContact CD2-CD2 3.5Å; Y61-L67 HydrophobicContact CD2-CG 4.4Å; Y61-L67 HydrophobicContact CE1-CD2 3.87Å; Y61-L67 HydrophobicContact CE2-CD1 4.36Å; Y61-L67 HydrophobicContact CE2-CD2 3.59Å; Y61-L67 HydrophobicContact CG-CD2 3.56Å; L67-I69 HydrophobicContact CB-CD1 4.08Å; L67-I69 PolarHBondContact O-N 2.87Å; L67-I72 HydrophobicContact CD2-CD1 4.47Å; L67-I100 HydrophobicContact CD1-CG2 4.44Å | ||
| 68 | N | 72.2 | Confident | 72.2 | Confident | 88 Ų | 88 | 77.4 Ų | 77.4 | 47% | 0.471 | 39% | 0.39 | S | S | . | . | trans | -87.4 | 91.7 | 168.3 | -174 | -28.8 | 0 | 0 | 0 | 108.9 | S25 K66 D70 S71 I72 | S25-N68 PolarHBondContact OG-N 3.1Å; K66-N68 PolarHBondContact O-N 3.48Å; N68-D70 VanDerWaalsContact C-N 3.29Å; N68-D70 PolarHBondContact O-N 3.48Å; N68-D70 PolarHBondContact OD1-N 2.96Å; N68-S71 WeakPolarHBondContact O-CB 3.21Å; N68-S71 PolarHBondContact O-N 2.9Å; N68-S71 PolarHBondContact OD1-N 3.35Å; N68-I72 WeakPolarHBondContact O-CG1 3.15Å; N68-I72 PolarHBondContact O-N 3.48Å; N68-I72 VanDerWaalsContact O-N 3.09Å | ||
| 69 | I | 73.2 | Confident | 71.9 | Confident | 35 Ų | 35 | 71.7 Ų | 71.7 | 18% | 0.179 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60 | -39.3 | -178.1 | -56.2 | -52.5 | 0 | 0 | 0 | 111.9 | L67 S71 I72 I73 V98 I100 | L67-I69 HydrophobicContact CB-CD1 4.08Å; L67-I69 PolarHBondContact O-N 2.87Å; I69-S71 VanDerWaalsContact C-N 3.33Å; I69-S71 PolarHBondContact O-N 3.34Å; I69-I72 HydrophobicContact CD1-CD1 4.31Å; I69-I72 PolarHBondContact O-N 2.89Å; I69-I73 HydrophobicContact CG2-CD1 3.68Å; I69-I73 HydrophobicContact CG2-CG1 4.2Å; I69-I73 WeakPolarHBondContact O-CB 3.26Å; I69-I73 VanDerWaalsContact O-CG1 3.31Å; I69-I73 WeakPolarHBondContact O-CG1 3.27Å; I69-I73 PolarHBondContact O-N 2.91Å; I69-V98 HydrophobicContact CD1-CG1 4.25Å; I69-V98 HydrophobicContact CG2-CB 4.38Å; I69-V98 HydrophobicContact CG2-CG1 4.14Å; I69-V98 HydrophobicContact CG2-CG2 4.24Å; I69-I100 HydrophobicContact CD1-CD1 3.64Å; I69-I100 HydrophobicContact CD1-CG1 4.11Å; I69-I100 HydrophobicContact CG1-CD1 3.83Å |
| 70 | D | 76.4 | Confident | 71.8 | Confident | 112 Ų | 112 | 70.7 Ų | 70.7 | 60% | 0.599 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.3 | -40.7 | 178.3 | -65.2 | -42.2 | 0 | 0 | 0 | 111.6 | N68 I73 N74 | N68-D70 VanDerWaalsContact C-N 3.29Å; N68-D70 PolarHBondContact O-N 3.48Å; N68-D70 PolarHBondContact OD1-N 2.96Å; D70-I73 PolarHBondContact O-N 3.33Å; D70-N74 WeakPolarHBondContact O-CB 3.48Å; D70-N74 PolarHBondContact O-N 3.19Å; D70-N74 PolarHBondContact O-ND2 3.43Å |
| 71 | S | 75.9 | Confident | 71.8 | Confident | 55 Ų | 55 | 72.1 Ų | 72.1 | 39% | 0.385 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61 | -46.1 | 174.1 | -178.1 | 0 | 0 | 0 | 0 | 111.4 | N68 I69 N74 H75 | N68-S71 WeakPolarHBondContact O-CB 3.21Å; N68-S71 PolarHBondContact O-N 2.9Å; N68-S71 PolarHBondContact OD1-N 3.35Å; I69-S71 VanDerWaalsContact C-N 3.33Å; I69-S71 PolarHBondContact O-N 3.34Å; S71-N74 PolarHBondContact O-N 3.41Å; S71-H75 VanDerWaalsContact O-CB 3.32Å; S71-H75 WeakPolarHBondContact O-CB 3.5Å; S71-H75 PolarHBondContact O-N 3.44Å |
| 72 | I | 72.7 | Confident | 71.7 | Confident | 12 Ų | 12 | 77.3 Ų | 77.3 | 6% | 0.062 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.6 | -49.3 | 177.7 | -65.6 | 169.1 | 0 | 0 | 0 | 110.6 | P23 Y61 L67 N68 I69 H75 L76 | P23-I72 HydrophobicContact CB-CB 4.41Å; P23-I72 HydrophobicContact CB-CG1 4.02Å; P23-I72 HydrophobicContact CB-CG2 3.82Å; Y61-I72 WeakPolarHBondContact OH-CD1 3.31Å; L67-I72 HydrophobicContact CD2-CD1 4.47Å; N68-I72 WeakPolarHBondContact O-CG1 3.15Å; N68-I72 PolarHBondContact O-N 3.48Å; N68-I72 VanDerWaalsContact O-N 3.09Å; I69-I72 HydrophobicContact CD1-CD1 4.31Å; I69-I72 PolarHBondContact O-N 2.89Å; I72-H75 PolarHBondContact O-N 2.86Å; I72-L76 HydrophobicContact CG2-CD1 4.06Å; I72-L76 WeakPolarHBondContact O-CG 3.39Å; I72-L76 PolarHBondContact O-N 2.81Å |
| 73 | I | 76.1 | Confident | 71.6 | Confident | 15 Ų | 15 | 73.7 Ų | 73.7 | 8% | 0.077 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 179.9 | -68.6 | 173.2 | 0 | 0 | 0 | 110.8 | I69 D70 H75 L76 K77 V96 V98 | I69-I73 HydrophobicContact CG2-CD1 3.68Å; I69-I73 HydrophobicContact CG2-CG1 4.2Å; I69-I73 WeakPolarHBondContact O-CB 3.26Å; I69-I73 VanDerWaalsContact O-CG1 3.31Å; I69-I73 WeakPolarHBondContact O-CG1 3.27Å; I69-I73 PolarHBondContact O-N 2.91Å; D70-I73 PolarHBondContact O-N 3.33Å; I73-H75 VanDerWaalsContact C-N 3.34Å; I73-H75 PolarHBondContact O-N 3.39Å; I73-L76 PolarHBondContact O-N 3.33Å; I73-K77 HydrophobicContact CG2-CD 4.07Å; I73-K77 HydrophobicContact CG2-CG 4.44Å; I73-K77 WeakPolarHBondContact O-CB 3.23Å; I73-K77 WeakPolarHBondContact O-CG 3.32Å; I73-K77 PolarHBondContact O-N 3.13Å; I73-V96 HydrophobicContact CG1-CG1 4.43Å; I73-V98 HydrophobicContact CD1-CG2 4.08Å; I73-V98 HydrophobicContact CG1-CG2 4.24Å |
| 74 | N | 77.7 | Confident | 71.7 | Confident | 91 Ų | 91 | 71.3 Ų | 71.3 | 49% | 0.487 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.3 | -37.7 | 178.7 | -74.8 | -24 | 0 | 0 | 0 | 112 | D70 S71 K77 T78 | D70-N74 WeakPolarHBondContact O-CB 3.48Å; D70-N74 PolarHBondContact O-N 3.19Å; D70-N74 PolarHBondContact O-ND2 3.43Å; S71-N74 PolarHBondContact O-N 3.41Å; N74-K77 PolarHBondContact O-N 3.39Å; N74-T78 WeakPolarHBondContact O-CB 3.43Å; N74-T78 PolarHBondContact O-N 2.84Å; N74-T78 PolarHBondContact O-OG1 3.26Å |
| 75 | H | 75.6 | Confident | 71.8 | Confident | 74 Ų | 74 | 75.7 Ų | 75.7 | 34% | 0.343 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.4 | -45.5 | 175.2 | -164.1 | 78.5 | 0 | 0 | 0 | 111.3 | S71 I72 I73 K77 T78 N79 | S71-H75 VanDerWaalsContact O-CB 3.32Å; S71-H75 WeakPolarHBondContact O-CB 3.5Å; S71-H75 PolarHBondContact O-N 3.44Å; I72-H75 PolarHBondContact O-N 2.86Å; I73-H75 VanDerWaalsContact C-N 3.34Å; I73-H75 PolarHBondContact O-N 3.39Å; H75-K77 PolarHBondContact O-N 2.9Å; H75-T78 PolarHBondContact O-N 2.87Å; H75-N79 PolarHBondContact CD2-ND2 2.72Å; H75-N79 PolarHBondContact NE2-ND2 2.88Å; H75-N79 WeakPolarHBondContact O-CB 3.46Å; H75-N79 PolarHBondContact O-N 3.43Å; H75-N79 PolarHBondContact O-ND2 3.08Å |
| 76 | L | 74.8 | Confident | 72.2 | Confident | 24 Ų | 24 | 73.2 Ų | 73.2 | 13% | 0.126 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59 | -46.6 | 174.9 | -74.1 | 169.9 | 0 | 0 | 0 | 111.7 | A20 I72 I73 Y80 | A20-L76 HydrophobicContact CB-CD2 3.99Å; I72-L76 HydrophobicContact CG2-CD1 4.06Å; I72-L76 WeakPolarHBondContact O-CG 3.39Å; I72-L76 PolarHBondContact O-N 2.81Å; I73-L76 PolarHBondContact O-N 3.33Å; L76-Y80 WeakPolarHBondContact O-CB 2.86Å; L76-Y80 PolarHBondContact O-N 3.12Å |
| 77 | K | 76.9 | Confident | 72.5 | Confident | 86 Ų | 86 | 68.8 Ų | 68.8 | 37% | 0.374 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62 | -44.9 | 176.7 | -74.7 | 175.8 | 179.8 | 174.8 | 0 | 112.4 | I73 N74 H75 Y80 D81 | I73-K77 HydrophobicContact CG2-CD 4.07Å; I73-K77 HydrophobicContact CG2-CG 4.44Å; I73-K77 WeakPolarHBondContact O-CB 3.23Å; I73-K77 WeakPolarHBondContact O-CG 3.32Å; I73-K77 PolarHBondContact O-N 3.13Å; N74-K77 PolarHBondContact O-N 3.39Å; H75-K77 PolarHBondContact O-N 2.9Å; K77-Y80 WeakPolarHBondContact O-CB 3.3Å; K77-Y80 PolarHBondContact O-N 2.81Å; K77-D81 PolarHBondContact O-N 2.83Å |
| 78 | T | 77.8 | Confident | 72.5 | Confident | 77 Ų | 77 | 74.2 Ų | 74.2 | 47% | 0.472 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.3 | -44.9 | -179.9 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | N74 H75 Y80 D81 R82 | N74-T78 WeakPolarHBondContact O-CB 3.43Å; N74-T78 PolarHBondContact O-N 2.84Å; N74-T78 PolarHBondContact O-OG1 3.26Å; H75-T78 PolarHBondContact O-N 2.87Å; T78-Y80 VanDerWaalsContact C-N 3.35Å; T78-D81 PolarHBondContact O-N 2.85Å; T78-R82 WeakPolarHBondContact O-CB 3.4Å; T78-R82 PolarHBondContact O-N 2.82Å |
| 79 | N | 74.1 | Confident | 72.1 | Confident | 16 Ų | 16 | 71.5 Ų | 71.5 | 9% | 0.086 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 175.4 | -75.3 | -25.3 | 0 | 0 | 0 | 110.4 | A20 H75 D81 R82 Y83 | A20-N79 HydrophobicContact CB-CB 3.85Å; A20-N79 PolarHBondContact O-ND2 3.36Å; A20-N79 VanDerWaalsContact O-ND2 3.09Å; H75-N79 PolarHBondContact CD2-ND2 2.72Å; H75-N79 PolarHBondContact NE2-ND2 2.88Å; H75-N79 WeakPolarHBondContact O-CB 3.46Å; H75-N79 PolarHBondContact O-N 3.43Å; H75-N79 PolarHBondContact O-ND2 3.08Å; N79-D81 PolarHBondContact O-N 2.79Å; N79-R82 WeakPolarHBondContact O-CB 3.16Å; N79-R82 PolarHBondContact O-N 2.87Å; N79-Y83 HydrophobicContact CB-CD2 4.45Å; N79-Y83 HydrophobicContact CB-CE2 4.37Å; N79-Y83 WeakPolarHBondContact O-CD2 3.49Å; N79-Y83 PolarHBondContact O-N 3.13Å |
| 80 | Y | 73.1 | Confident | 71.8 | Confident | 33 Ų | 33 | 77.6 Ų | 77.6 | 13% | 0.129 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -53 | -50.7 | 174.3 | 167.9 | -88.9 | 0 | 0 | 0 | 112.9 | L76 K77 T78 R82 Y83 N84 I91 L94 | L76-Y80 WeakPolarHBondContact O-CB 2.86Å; L76-Y80 PolarHBondContact O-N 3.12Å; K77-Y80 WeakPolarHBondContact O-CB 3.3Å; K77-Y80 PolarHBondContact O-N 2.81Å; T78-Y80 VanDerWaalsContact C-N 3.35Å; Y80-R82 VanDerWaalsContact C-N 3.31Å; Y80-R82 PolarHBondContact O-N 2.91Å; Y80-Y83 PolarHBondContact O-N 2.99Å; Y80-Y83 VanDerWaalsContact O-N 3.15Å; Y80-N84 PolarHBondContact O-N 3.36Å; Y80-I91 HydrophobicContact CD2-CD1 3.77Å; Y80-I91 HydrophobicContact CE2-CB 3.44Å; Y80-I91 VanDerWaalsContact CE2-CB 3.44Å; Y80-I91 HydrophobicContact CE2-CD1 3.44Å; Y80-I91 VanDerWaalsContact CE2-CD1 3.44Å; Y80-I91 HydrophobicContact CE2-CG1 4.03Å; Y80-I91 HydrophobicContact CE2-CG2 3.42Å; Y80-I91 VanDerWaalsContact CE2-CG2 3.42Å; Y80-I91 VanDerWaalsContact OH-C 3.23Å; Y80-I91 VanDerWaalsContact OH-CB 3.24Å; Y80-I91 WeakPolarHBondContact OH-CB 3.46Å; Y80-I91 VanDerWaalsContact OH-CG2 3.26Å; Y80-I91 WeakPolarHBondContact OH-CG2 3.36Å; Y80-I91 PolarHBondContact OH-O 3.49Å; Y80-L94 HydrophobicContact CD1-CD2 4.34Å; Y80-L94 HydrophobicContact CD2-CB 4.15Å; Y80-L94 HydrophobicContact CD2-CD1 4.25Å; Y80-L94 HydrophobicContact CD2-CD2 3.87Å; Y80-L94 HydrophobicContact CD2-CG 4.31Å; Y80-L94 HydrophobicContact CE1-CB 4.34Å; Y80-L94 HydrophobicContact CE2-CB 3.78Å; Y80-L94 HydrophobicContact CE2-CD1 4.35Å; Y80-L94 HydrophobicContact CE2-CD2 4.36Å; Y80-L94 HydrophobicContact CE2-CG 4.38Å; Y80-L94 HydrophobicContact CG-CD2 3.83Å |
| 81 | D | 74.4 | Confident | 71.3 | Confident | 90 Ų | 90 | 74.5 Ų | 74.5 | 48% | 0.481 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.7 | -38.7 | 180 | -77.3 | -21.3 | 0 | 0 | 0 | 111.9 | K77 T78 N79 N84 K85 | K77-D81 PolarHBondContact O-N 2.83Å; T78-D81 PolarHBondContact O-N 2.85Å; N79-D81 PolarHBondContact O-N 2.79Å; D81-N84 PolarHBondContact O-N 3.41Å; D81-K85 PolarHBondContact O-N 3.22Å |
| 82 | R | 72.2 | Confident | 71 | Confident | 157 Ų | 157 | 79.2 Ų | 79.2 | 59% | 0.592 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -62.3 | -43.8 | 174.1 | -173 | -177.4 | -67.6 | 174.3 | -1.4 | 111 | T78 N79 Y80 K85 | T78-R82 WeakPolarHBondContact O-CB 3.4Å; T78-R82 PolarHBondContact O-N 2.82Å; N79-R82 WeakPolarHBondContact O-CB 3.16Å; N79-R82 PolarHBondContact O-N 2.87Å; Y80-R82 VanDerWaalsContact C-N 3.31Å; Y80-R82 PolarHBondContact O-N 2.91Å; R82-K85 PolarHBondContact O-N 3.47Å |
| 83 | Y | 68.3 | Low | 70.8 | Confident | 47 Ų | 47 | 86.4 Ų | 86.4 | 18% | 0.184 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -66.9 | -40.1 | 177.8 | -81.5 | -65.6 | 0 | 0 | 0 | 112.9 | L16 I19 N79 Y80 K85 I86 S87 | L16-Y83 HydrophobicContact CD2-CD1 3.79Å; L16-Y83 HydrophobicContact CD2-CG 3.73Å; I19-Y83 HydrophobicContact CB-CE2 4.06Å; I19-Y83 WeakPolarHBondContact CB-OH 3.49Å; I19-Y83 HydrophobicContact CD1-CE1 4.04Å; I19-Y83 HydrophobicContact CG2-CE2 4.2Å; I19-Y83 WeakPolarHBondContact CG2-OH 3.45Å; N79-Y83 HydrophobicContact CB-CD2 4.45Å; N79-Y83 HydrophobicContact CB-CE2 4.37Å; N79-Y83 WeakPolarHBondContact O-CD2 3.49Å; N79-Y83 PolarHBondContact O-N 3.13Å; Y80-Y83 PolarHBondContact O-N 2.99Å; Y80-Y83 VanDerWaalsContact O-N 3.15Å; Y83-K85 PolarHBondContact O-N 3.15Å; Y83-K85 VanDerWaalsContact O-N 3.13Å; Y83-I86 HydrophobicContact CD1-CD1 3.87Å; Y83-I86 HydrophobicContact CD1-CG1 4.19Å; Y83-I86 HydrophobicContact CE1-CD1 3.99Å; Y83-I86 WeakPolarHBondContact O-CG1 3.3Å; Y83-I86 PolarHBondContact O-N 2.88Å; Y83-S87 WeakPolarHBondContact O-CB 3.35Å; Y83-S87 PolarHBondContact O-N 3.05Å |
| 84 | N | 66.7 | Low | 70.6 | Confident | 44 Ų | 44 | 89.1 Ų | 89.1 | 24% | 0.235 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60.6 | -25 | 178.9 | -153.5 | 19.6 | 0 | 0 | 0 | 112.4 | Y80 D81 R90 I91 | Y80-N84 PolarHBondContact O-N 3.36Å; D81-N84 PolarHBondContact O-N 3.41Å; N84-R90 VanDerWaalsContact OD1-CA 3.3Å; N84-R90 WeakPolarHBondContact OD1-CA 3.26Å; N84-I91 PolarHBondContact ND2-O 3.08Å; N84-I91 PolarHBondContact OD1-N 2.97Å |
| 85 | K | 67.8 | Low | 70.4 | Confident | 183 Ų | 183 | 90.6 Ų | 90.6 | 80% | 0.796 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -77.2 | -25.6 | 174.7 | -69 | 178.1 | -177.8 | -179 | 0 | 114.2 | D81 R82 Y83 | D81-K85 PolarHBondContact O-N 3.22Å; R82-K85 PolarHBondContact O-N 3.47Å; Y83-K85 PolarHBondContact O-N 3.15Å; Y83-K85 VanDerWaalsContact O-N 3.13Å |
| 86 | I | 66.1 | Low | 70.4 | Confident | 128 Ų | 128 | 88.9 Ų | 88.9 | 66% | 0.656 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -111.9 | -13.9 | -174.8 | 61.6 | 171.8 | 0 | 0 | 0 | 113.6 | Y83 | Y83-I86 HydrophobicContact CD1-CD1 3.87Å; Y83-I86 HydrophobicContact CD1-CG1 4.19Å; Y83-I86 HydrophobicContact CE1-CD1 3.99Å; Y83-I86 WeakPolarHBondContact O-CG1 3.3Å; Y83-I86 PolarHBondContact O-N 2.88Å |
| 87 | S | 65.4 | Low | 70.4 | Confident | 31 Ų | 31 | 93.1 Ų | 93.1 | 22% | 0.217 | 43% | 0.433 | C | S | . | . | trans | -84.5 | 144.8 | -178.3 | 177.3 | 0 | 0 | 0 | 0 | 111.7 | Y83 I89 | Y83-S87 WeakPolarHBondContact O-CB 3.35Å; Y83-S87 PolarHBondContact O-N 3.05Å; S87-I89 PolarHBondContact O-N 3.44Å; S87-I89 PolarHBondContact OG-N 2.86Å; S87-I89 PolarHBondContact OG-O 3.43Å; S87-I89 VanDerWaalsContact OG-O 3.08Å | ||
| 88 | F | 65.9 | Low | 70.2 | Confident | 160 Ų | 160 | 90.6 Ų | 90.6 | 70% | 0.702 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -71.1 | -21 | 167.5 | 71.2 | -86.8 | 0 | 0 | 0 | 112.2 | T12 | T12-F88 HydrophobicContact CG2-CE1 4.31Å; T12-F88 HydrophobicContact CG2-CZ 4.39Å |
| 89 | I | 64.3 | Low | 70.2 | Confident | 32 Ų | 32 | 91.1 Ų | 91.1 | 16% | 0.164 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -90.2 | 108.3 | 173.6 | -54 | -177.2 | 0 | 0 | 0 | 107.6 | Y9 T12 S87 I91 | Y9-I89 HydrophobicContact CD1-CD1 3.84Å; Y9-I89 HydrophobicContact CE1-CD1 4.18Å; T12-I89 HydrophobicContact CG2-CD1 3.61Å; S87-I89 PolarHBondContact O-N 3.44Å; S87-I89 PolarHBondContact OG-N 2.86Å; S87-I89 PolarHBondContact OG-O 3.43Å; S87-I89 VanDerWaalsContact OG-O 3.08Å; I89-I91 HydrophobicContact CG2-CG1 4.48Å; I89-I91 PolarHBondContact O-N 3.3Å |
| 90 | R | 66.4 | Low | 70.1 | Confident | 162 Ų | 162 | 94.5 Ų | 94.5 | 61% | 0.611 | 45% | 0.445 | S | S | * | . | trans | -75.6 | 112.9 | 168.5 | -172.6 | 177.8 | -177.5 | -172.8 | 0.2 | 108.9 | N84 | N84-R90 VanDerWaalsContact OD1-CA 3.3Å; N84-R90 WeakPolarHBondContact OD1-CA 3.26Å | ||
| 91 | I | 65.8 | Low | 70.2 | Confident | 48 Ų | 48 | 97.6 Ų | 97.6 | 25% | 0.246 | 47% | 0.471 | C | S | . | . | trans | -86.1 | 121.4 | 173.4 | -42.5 | 166 | 0 | 0 | 0 | 107.7 | L16 Y80 N84 I89 | L16-I91 HydrophobicContact CD1-CD1 4.18Å; Y80-I91 HydrophobicContact CD2-CD1 3.77Å; Y80-I91 HydrophobicContact CE2-CB 3.44Å; Y80-I91 VanDerWaalsContact CE2-CB 3.44Å; Y80-I91 HydrophobicContact CE2-CD1 3.44Å; Y80-I91 VanDerWaalsContact CE2-CD1 3.44Å; Y80-I91 HydrophobicContact CE2-CG1 4.03Å; Y80-I91 HydrophobicContact CE2-CG2 3.42Å; Y80-I91 VanDerWaalsContact CE2-CG2 3.42Å; Y80-I91 VanDerWaalsContact OH-C 3.23Å; Y80-I91 VanDerWaalsContact OH-CB 3.24Å; Y80-I91 WeakPolarHBondContact OH-CB 3.46Å; Y80-I91 VanDerWaalsContact OH-CG2 3.26Å; Y80-I91 WeakPolarHBondContact OH-CG2 3.36Å; Y80-I91 PolarHBondContact OH-O 3.49Å; N84-I91 PolarHBondContact ND2-O 3.08Å; N84-I91 PolarHBondContact OD1-N 2.97Å; I89-I91 HydrophobicContact CG2-CG1 4.48Å; I89-I91 PolarHBondContact O-N 3.3Å | ||
| 92 | I | 69.5 | Low | 69.9 | Low | 154 Ų | 154 | 97 Ų | 97 | 79% | 0.79 | 47% | 0.471 | S | S | * | . | trans | -88.6 | -32.7 | -172.4 | -61.2 | 169.9 | 0 | 0 | 0 | 110.9 | ||||
| 93 | R | 68.3 | Low | 69.6 | Low | 163 Ų | 163 | 96 Ų | 96 | 62% | 0.615 | 48% | 0.476 | S | S | * | . | trans | -147 | 134.2 | -177.3 | -169.3 | 176 | -174.5 | 180 | 3.5 | 110.3 | ||||
| 94 | L | 71.9 | Confident | 69.1 | Low | 71 Ų | 71 | 99.2 Ų | 99.2 | 37% | 0.372 | 50% | 0.501 | S | S | . | . | trans | -114.7 | 120.4 | 168.3 | -178.3 | 68.4 | 0 | 0 | 0 | 108.2 | Y80 V96 | Y80-L94 HydrophobicContact CD1-CD2 4.34Å; Y80-L94 HydrophobicContact CD2-CB 4.15Å; Y80-L94 HydrophobicContact CD2-CD1 4.25Å; Y80-L94 HydrophobicContact CD2-CD2 3.87Å; Y80-L94 HydrophobicContact CD2-CG 4.31Å; Y80-L94 HydrophobicContact CE1-CB 4.34Å; Y80-L94 HydrophobicContact CE2-CB 3.78Å; Y80-L94 HydrophobicContact CE2-CD1 4.35Å; Y80-L94 HydrophobicContact CE2-CD2 4.36Å; Y80-L94 HydrophobicContact CE2-CG 4.38Å; Y80-L94 HydrophobicContact CG-CD2 3.83Å; L94-V96 HydrophobicContact CD1-CG2 4.41Å; L94-V96 HydrophobicContact CD2-CG2 3.99Å; L94-V96 HydrophobicContact CG-CG2 3.91Å | ||
| 95 | K | 74 | Confident | 68.1 | Low | 122 Ų | 122 | 104.3 Ų | 104.3 | 53% | 0.53 | 52% | 0.523 | S | S | . | . | trans | -109.7 | 122.6 | 168.2 | -172.7 | 173.7 | -178.8 | 175.4 | 0 | 107.5 | N97 | K95-N97 VanDerWaalsContact CE-OD1 3.3Å; K95-N97 WeakPolarHBondContact CE-OD1 3.24Å | ||
| 96 | V | 74.1 | Confident | 66.8 | Low | 39 Ų | 39 | 104.8 Ų | 104.8 | 24% | 0.236 | 53% | 0.525 | C | S | . | . | trans | -111 | 118.6 | 177.1 | -175.5 | 0 | 0 | 0 | 0 | 107.3 | I73 L94 V98 | I73-V96 HydrophobicContact CG1-CG1 4.43Å; L94-V96 HydrophobicContact CD1-CG2 4.41Å; L94-V96 HydrophobicContact CD2-CG2 3.99Å; L94-V96 HydrophobicContact CG-CG2 3.91Å; V96-V98 HydrophobicContact CG1-CG2 3.94Å | ||
| 97 | N | 74.9 | Confident | 65.3 | Low | 112 Ų | 112 | 107.1 Ų | 107.1 | 60% | 0.599 | 53% | 0.533 | S | S | * | . | trans | -106.9 | 130.4 | 169.2 | -66.3 | -7.6 | 0 | 0 | 0 | 107.2 | K95 | K95-N97 VanDerWaalsContact CE-OD1 3.3Å; K95-N97 WeakPolarHBondContact CE-OD1 3.24Å | ||
| 98 | V | 73.7 | Confident | 63.9 | Low | 34 Ų | 34 | 112 Ų | 112 | 21% | 0.206 | 55% | 0.553 | C | S | . | * | trans | -116.6 | 126.8 | 179.4 | -176.7 | 0 | 0 | 0 | 0 | 108.5 | I69 I73 V96 I100 | I69-V98 HydrophobicContact CD1-CG1 4.25Å; I69-V98 HydrophobicContact CG2-CB 4.38Å; I69-V98 HydrophobicContact CG2-CG1 4.14Å; I69-V98 HydrophobicContact CG2-CG2 4.24Å; I73-V98 HydrophobicContact CD1-CG2 4.08Å; I73-V98 HydrophobicContact CG1-CG2 4.24Å; V96-V98 HydrophobicContact CG1-CG2 3.94Å; V98-I100 HydrophobicContact CG1-CG1 4.31Å | ||
| 99 | T | 76.5 | Confident | 62.7 | Low | 87 Ų | 87 | 112 Ų | 112 | 53% | 0.534 | 55% | 0.548 | S | S | . | . | trans | -120.3 | 128.3 | 167.8 | -53.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 100 | I | 73.7 | Confident | 61.4 | Low | 88 Ų | 88 | 122.3 Ų | 122.3 | 45% | 0.451 | 59% | 0.585 | S | S | . | * | trans | -101.2 | 132.1 | 174.6 | -53.7 | 173.2 | 0 | 0 | 0 | 106.9 | L67 I69 V98 | L67-I100 HydrophobicContact CD1-CG2 4.44Å; I69-I100 HydrophobicContact CD1-CD1 3.64Å; I69-I100 HydrophobicContact CD1-CG1 4.11Å; I69-I100 HydrophobicContact CG1-CD1 3.83Å; V98-I100 HydrophobicContact CG1-CG1 4.31Å | ||
| 101 | S | 74.6 | Confident | 60.1 | Low | 97 Ų | 97 | 123.3 Ų | 123.3 | 68% | 0.678 | 60% | 0.596 | S | S | * | * | trans | -130.9 | 122.2 | 172.7 | -52.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 102 | T | 69 | Low | 58.9 | Low | 79 Ų | 79 | 129 Ų | 129 | 49% | 0.485 | 62% | 0.622 | S | S | . | * | trans | -78.9 | 120 | 168.4 | -62.7 | 0 | 0 | 0 | 0 | 107.8 | E64 V104 | E64-T102 WeakPolarHBondContact OE2-CG2 3.4Å; E64-T102 PolarHBondContact OE2-OG1 3.42Å; T102-V104 HydrophobicContact CG2-CG2 4.04Å; T102-V104 PolarHBondContact O-N 2.87Å | ||
| 103 | I | 65.2 | Low | 57.3 | Low | 134 Ų | 134 | 128.7 Ų | 128.7 | 69% | 0.687 | 62% | 0.617 | S | S | * | * | trans | -82.9 | 97.8 | 163.9 | -56.5 | 174.4 | 0 | 0 | 0 | 105.1 | L60 E105 | L60-I103 HydrophobicContact CD2-CD1 4.32Å; I103-E105 PolarHBondContact O-N 3.4Å | ||
| 104 | V | 57.3 | Low | 55.8 | Low | 116 Ų | 116 | 130.2 Ų | 130.2 | 70% | 0.703 | 63% | 0.628 | S | S | * | * | trans | -68.4 | 98 | 161.3 | -174.2 | 0 | 0 | 0 | 0 | 104.6 | T102 K106 | T102-V104 HydrophobicContact CG2-CG2 4.04Å; T102-V104 PolarHBondContact O-N 2.87Å; V104-K106 PolarHBondContact O-N 2.77Å | ||
| 105 | E | 46.4 | Very low | 54.2 | Low | 151 Ų | 151 | 132.5 Ų | 132.5 | 71% | 0.706 | 65% | 0.645 | S | S | * | * | trans | -53.9 | 112.9 | 161.8 | -132.6 | 178.4 | -179 | 0 | 0 | 104.3 | I103 Q107 | I103-E105 PolarHBondContact O-N 3.4Å; E105-Q107 PolarHBondContact O-N 3.41Å | ||
| 106 | K | 39.1 | Very low | 52.1 | Low | 193 Ų | 193 | 135.9 Ų | 135.9 | 84% | 0.839 | 66% | 0.66 | S | S | * | * | trans | -62.9 | 73.5 | 163.8 | -98.9 | -174 | 172.6 | -177.2 | 0 | 106.4 | V104 E108 | V104-K106 PolarHBondContact O-N 2.77Å; K106-E108 PolarHBondContact O-N 3.35Å; K106-E108 VanDerWaalsContact O-N 3.11Å | ||
| 107 | Q | 36.2 | Very low | 50 | Low | 177 Ų | 177 | 142.3 Ų | 142.3 | 83% | 0.827 | 69% | 0.685 | S | S | * | * | trans | -83.8 | 51.3 | 163.9 | -155.1 | 177.4 | 15 | 0 | 0 | 107 | E105 | E105-Q107 PolarHBondContact O-N 3.41Š| ||
| 108 | E | 34.6 | Very low | 48.2 | Very low | 134 Ų | 134 | 145.4 Ų | 145.4 | 63% | 0.626 | 70% | 0.695 | S | S | * | * | trans | -99.3 | 116.8 | 163.8 | -138.9 | -163.8 | 145.6 | 0 | 0 | 106.5 | K106 | K106-E108 PolarHBondContact O-N 3.35Å; K106-E108 VanDerWaalsContact O-N 3.11Å | ||
| 109 | R | 40.8 | Very low | 46.1 | Very low | 160 Ų | 160 | 153.4 Ų | 153.4 | 60% | 0.604 | 73% | 0.731 | S | S | * | * | trans | 63.6 | 88.8 | 161.2 | -61 | 172.2 | -160.2 | -143.3 | 0 | 117.1 | ||||
| 110 | R | 37.6 | Very low | 43.9 | Very low | 248 Ų | 248 | 153.6 Ų | 153.6 | 94% | 0.936 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -123.7 | -6 | 140.8 | -117.4 | -173.5 | -172.9 | -163.2 | 3.3 | 115.6 | ||
| 111 | E | 38.1 | Very low | 41.7 | Very low | 183 Ų | 183 | 155.4 Ų | 155.4 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -110.8 | -15.3 | -179.9 | -70 | -164.7 | 148.9 | 0 | 0 | 116.1 | ||
| 112 | E | 40.6 | Very low | 39.3 | Very low | 167 Ų | 167 | 155.8 Ų | 155.8 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -96.9 | -12 | 173.1 | -67 | -166.6 | 167.2 | 0 | 0 | 114.6 | K114 V115 | E112-K114 PolarHBondContact O-N 2.99Å; E112-K114 VanDerWaalsContact O-N 3.17Å; E112-V115 PolarHBondContact O-N 2.93Å |
| 113 | E | 36.6 | Very low | 37.4 | Very low | 147 Ų | 147 | 158 Ų | 158 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | 9.7 | -178.8 | -135.5 | 178.4 | -166.9 | 0 | 0 | 114.5 | ||
| 114 | K | 37.5 | Very low | 35.5 | Very low | 195 Ų | 195 | 159.3 Ų | 159.3 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -7.2 | 169.2 | -134.2 | -178.7 | -174.8 | -175.6 | 0 | 114.2 | E112 | E112-K114 PolarHBondContact O-N 2.99Å; E112-K114 VanDerWaalsContact O-N 3.17Å |
| 115 | V | 38.3 | Very low | 34.2 | Very low | 119 Ų | 119 | 159.7 Ų | 159.7 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.2 | -20.2 | -173.8 | -174.5 | 0 | 0 | 0 | 0 | 114.7 | E112 K117 | E112-V115 PolarHBondContact O-N 2.93Å; V115-K117 PolarHBondContact O-N 2.84Å |
| 116 | F | 30.1 | Very low | 33.2 | Very low | 194 Ų | 194 | 158.2 Ų | 158.2 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | trans | -105.4 | 77.3 | 171 | -98.7 | -92.5 | 0 | 0 | 0 | 112.2 | ||||
| 117 | K | 29.7 | Very low | 32.6 | Very low | 174 Ų | 174 | 157.9 Ų | 157.9 | 76% | 0.757 | 79% | 0.786 | S | S | * | * | trans | -56.1 | 149.1 | 151.1 | -90.4 | 178.5 | 167.8 | -175.2 | 0 | 110.2 | V115 | V115-K117 PolarHBondContact O-N 2.84Š| ||
| 118 | E | 37.3 | Very low | 32 | Very low | 176 Ų | 176 | 153.6 Ų | 153.6 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | 63.2 | 80.8 | 152.4 | -69.7 | 176 | 137 | 0 | 0 | 117 | ||||
| 119 | E | 29.2 | Very low | 31.5 | Very low | 202 Ų | 202 | 150.6 Ų | 150.6 | 94% | 0.944 | 79% | 0.794 | S | S | * | * | -152.7 | 126.7 | 124.6 | -123.3 | 179.6 | 143.6 | 0 | 0 | 110.6 | |||||
| 120 | A | 29.4 | Very low | 30.9 | Very low | 91 Ų | 91 | 151.8 Ų | 151.8 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | trans | -71.3 | 143.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 121 | T | 27.6 | Very low | 30.7 | Very low | 127 Ų | 127 | 149.6 Ų | 149.6 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | 167 | 130.9 | 111.4 | -64.3 | 0 | 0 | 0 | 0 | 109 | |||||
| 122 | S | 25.6 | Very low | 30.3 | Very low | 105 Ų | 105 | 150.2 Ų | 150.2 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | trans | -47.8 | 134.5 | 173.5 | 51.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 123 | V | 27.5 | Very low | 29.9 | Very low | 124 Ų | 124 | 145.3 Ų | 145.3 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | trans | -140.2 | 111.1 | 142.7 | -170 | 0 | 0 | 0 | 0 | 108.2 | V125 | V123-V125 HydrophobicContact CG1-CG2 3.77Å; V123-V125 PolarHBondContact O-N 2.91Å | ||
| 124 | N | 25 | Very low | 29.6 | Very low | 162 Ų | 162 | 145.3 Ų | 145.3 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | trans | -67 | 116.4 | 161.5 | -97.6 | -8 | 0 | 0 | 0 | 107.2 | ||||
| 125 | V | 32 | Very low | 29.5 | Very low | 125 Ų | 125 | 146.1 Ų | 146.1 | 76% | 0.758 | 80% | 0.802 | S | S | * | * | trans | -115.8 | 102.2 | 163.3 | -177.6 | 0 | 0 | 0 | 0 | 107.5 | V123 | V123-V125 HydrophobicContact CG1-CG2 3.77Å; V123-V125 PolarHBondContact O-N 2.91Å | ||
| 126 | T | 25.4 | Very low | 29.2 | Very low | 120 Ų | 120 | 147 Ų | 147 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | trans | -79.7 | 131.6 | 158 | -44.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 127 | E | 25.6 | Very low | 29.4 | Very low | 186 Ų | 186 | 140.7 Ų | 140.7 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | trans | 140.4 | 126.9 | 147 | -82.9 | -173 | 148 | 0 | 0 | 112.8 | ||||
| 128 | G | 23.2 | Very low | 29.5 | Very low | 86 Ų | 86 | 139.2 Ų | 139.2 | 89% | 0.887 | 77% | 0.773 | S | S | * | * | trans | 74.7 | 107.5 | 130.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 129 | G | 24.4 | Very low | 29.3 | Very low | 72 Ų | 72 | 134.7 Ų | 134.7 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | trans | -172 | 61.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 130 | E | 29 | Very low | 29.4 | Very low | 185 Ų | 185 | 133.2 Ų | 133.2 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | trans | 43.1 | 120.9 | 143 | -64.2 | 174.1 | 141 | 0 | 0 | 120.6 | E132 | E130-E132 PolarHBondContact O-N 3.26Š| ||
| 131 | E | 33.5 | Very low | 29.6 | Very low | 202 Ų | 202 | 131.8 Ų | 131.8 | 94% | 0.944 | 74% | 0.739 | S | S | * | * | trans | -56.8 | 115.9 | 159.8 | -59.2 | 177.1 | 149.4 | 0 | 0 | 110.2 | ||||
| 132 | E | 29.1 | Very low | 29.8 | Very low | 195 Ų | 195 | 135 Ų | 135 | 91% | 0.911 | 75% | 0.745 | S | S | * | * | trans | -121.3 | 115.9 | 166.2 | -81.1 | -162 | 139.9 | 0 | 0 | 111 | E130 | E130-E132 PolarHBondContact O-N 3.26Š| ||
| 133 | G | 31.4 | Very low | 30 | Very low | 65 Ų | 65 | 134.6 Ų | 134.6 | 67% | 0.67 | 74% | 0.739 | S | S | * | * | trans | 114.7 | 29.7 | 144.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | R135 | G133-R135 VanDerWaalsContact C-N 3.28Å; G133-R135 PolarHBondContact O-N 2.81Å | ||
| 134 | E | 31.8 | Very low | 30.1 | Very low | 147 Ų | 147 | 133.9 Ų | 133.9 | 69% | 0.687 | 73% | 0.734 | S | S | * | * | trans | -68.9 | 85.9 | 163.9 | -74.5 | -163.3 | 156.2 | 0 | 0 | 110.8 | M136 | E134-M136 PolarHBondContact O-N 3.44Å; E134-M136 VanDerWaalsContact O-N 3.17Å | ||
| 135 | R | 34.1 | Very low | 30.5 | Very low | 212 Ų | 212 | 133.4 Ų | 133.4 | 80% | 0.8 | 73% | 0.731 | S | S | * | * | trans | -80 | 95 | 170.3 | -168.5 | 179.7 | -177.5 | -166 | 0.1 | 109.6 | G133 | G133-R135 VanDerWaalsContact C-N 3.28Å; G133-R135 PolarHBondContact O-N 2.81Å | ||
| 136 | M | 32.5 | Very low | 30.5 | Very low | 138 Ų | 138 | 134.3 Ų | 134.3 | 68% | 0.68 | 73% | 0.726 | S | S | * | * | trans | -78.6 | 117.6 | 168.6 | -60.4 | -177.1 | -132.3 | 0 | 0 | 109.5 | E134 | E134-M136 PolarHBondContact O-N 3.44Å; E134-M136 VanDerWaalsContact O-N 3.17Å | ||
| 137 | T | 33.5 | Very low | 30.9 | Very low | 60 Ų | 60 | 134.1 Ų | 134.1 | 37% | 0.368 | 73% | 0.727 | S | S | . | * | trans | -102 | 106.2 | 165.3 | 50.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 138 | E | 32.3 | Very low | 31.5 | Very low | 144 Ų | 144 | 132 Ų | 132 | 67% | 0.673 | 72% | 0.721 | S | S | * | * | trans | -81.1 | 117.3 | 167.6 | -68.8 | -164.4 | 125.5 | 0 | 0 | 109.2 | ||||
| 139 | T | 33.9 | Very low | 32.1 | Very low | 81 Ų | 81 | 132.9 Ų | 132.9 | 50% | 0.497 | 71% | 0.711 | S | S | . | * | trans | -104.3 | 104.3 | 166 | -41.2 | 0 | 0 | 0 | 0 | 108.4 | A141 | T139-A141 PolarHBondContact O-N 3.5Š| ||
| 140 | E | 31.1 | Very low | 32.7 | Very low | 170 Ų | 170 | 135.1 Ų | 135.1 | 79% | 0.794 | 71% | 0.712 | S | S | * | * | trans | -76.7 | 112.8 | 169.4 | -65.1 | -165.3 | 139.4 | 0 | 0 | 109.1 | ||||
| 141 | A | 34.2 | Very low | 33.1 | Very low | 62 Ų | 62 | 131.6 Ų | 131.6 | 51% | 0.512 | 71% | 0.708 | S | S | . | * | trans | -87 | 115.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109 | T139 | T139-A141 PolarHBondContact O-N 3.5Š| ||
| 142 | E | 30.9 | Very low | 33.6 | Very low | 194 Ų | 194 | 128.8 Ų | 128.8 | 91% | 0.907 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 134.4 | 174.1 | -164.4 | 175.3 | 123.1 | 0 | 0 | 110.5 | ||
| 143 | T | 30.6 | Very low | 34 | Very low | 97 Ų | 97 | 128.6 Ų | 128.6 | 60% | 0.595 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 123.5 | -173.2 | 41.6 | 0 | 0 | 0 | 0 | 111.9 | ||
| 144 | T | 29.3 | Very low | 34.4 | Very low | 108 Ų | 108 | 134.2 Ų | 134.2 | 66% | 0.663 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 117.7 | 157.6 | -55 | 0 | 0 | 0 | 0 | 109.3 | ||
| 145 | I | 34.1 | Very low | 34.8 | Very low | 153 Ų | 153 | 131.7 Ų | 131.7 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | trans | -86.3 | 113.2 | 174.4 | -59.6 | 165.7 | 0 | 0 | 0 | 107.7 | ||||
| 146 | H | 30.9 | Very low | 35.3 | Very low | 143 Ų | 143 | 126 Ų | 126 | 66% | 0.662 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 122.5 | 167.3 | -66.6 | -72.7 | 0 | 0 | 0 | 109.5 | ||
| 147 | P | 34.3 | Very low | 35.8 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 75% | 0.753 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 141.4 | 170 | 23.8 | -30.1 | 0 | 0 | 0 | 109.9 | ||
| 148 | L | 37.2 | Very low | 36.4 | Very low | 141 Ų | 141 | 130.9 Ų | 130.9 | 74% | 0.738 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 140.5 | 175.5 | -89.2 | 127.8 | 0 | 0 | 0 | 109.9 | ||
| 149 | P | 35.7 | Very low | 36.9 | Very low | 106 Ų | 106 | 132.7 Ų | 132.7 | 69% | 0.688 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 147.4 | 174.8 | 24.2 | -32.3 | 0 | 0 | 0 | 110.3 | S151 | P149-S151 PolarHBondContact O-N 3.05Š|
| 150 | P | 37.1 | Very low | 37.3 | Very low | 118 Ų | 118 | 136.4 Ų | 136.4 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 131.3 | -175.2 | 22 | -31.9 | 0 | 0 | 0 | 110.4 | T152 | P150-T152 PolarHBondContact O-N 3.3Š|
| 151 | S | 38.6 | Very low | 37.8 | Very low | 111 Ų | 111 | 138 Ų | 138 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | -61.2 | 109.9 | 177.1 | -162.2 | 0 | 0 | 0 | 0 | 108.6 | P149 K153 | P149-S151 PolarHBondContact O-N 3.05Å; S151-K153 PolarHBondContact O-N 2.83Å | ||
| 152 | T | 42.9 | Very low | 38.3 | Very low | 143 Ų | 143 | 140.3 Ų | 140.3 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -73.7 | 69.5 | 172.4 | 18.8 | 0 | 0 | 0 | 0 | 109.2 | P150 | P150-T152 PolarHBondContact O-N 3.3Š|
| 153 | K | 38.1 | Very low | 39 | Very low | 191 Ų | 191 | 140.9 Ų | 140.9 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | trans | -146.1 | 56.9 | 164.3 | -75 | -163.5 | 178.5 | -179.8 | 0 | 110.1 | S151 | S151-K153 PolarHBondContact O-N 2.83Š| ||
| 154 | E | 38.9 | Very low | 39.5 | Very low | 183 Ų | 183 | 143.1 Ų | 143.1 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | -142.9 | 29.2 | 160.2 | -126.2 | -175.3 | 140.6 | 0 | 0 | 111.9 | ||||
| 155 | A | 40.7 | Very low | 40.2 | Very low | 94 Ų | 94 | 142.4 Ų | 142.4 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -110.1 | 71.9 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108 | ||
| 156 | S | 44.1 | Very low | 40.6 | Very low | 93 Ų | 93 | 144.7 Ų | 144.7 | 65% | 0.65 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -165.1 | -9 | 164.2 | -81.6 | 0 | 0 | 0 | 0 | 116.3 | ||
| 157 | E | 43.9 | Very low | 41 | Very low | 178 Ų | 178 | 145.3 Ų | 145.3 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -92 | -5.6 | -179.7 | -77.5 | -169.1 | 136.1 | 0 | 0 | 115.7 | ||
| 158 | S | 45.6 | Very low | 41.3 | Very low | 122 Ų | 122 | 145.7 Ų | 145.7 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -101.7 | -8 | 177 | -60.7 | 0 | 0 | 0 | 0 | 115.5 | ||
| 159 | E | 42.3 | Very low | 42 | Very low | 183 Ų | 183 | 150.5 Ų | 150.5 | 86% | 0.855 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -100.4 | -8.8 | 179.2 | -94.1 | -171.6 | 96.7 | 0 | 0 | 115.4 | ||
| 160 | L | 41.9 | Very low | 42.3 | Very low | 158 Ų | 158 | 152.8 Ų | 152.8 | 83% | 0.827 | 84% | 0.844 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | 9.4 | -178.2 | -87.9 | 158.6 | 0 | 0 | 0 | 115.7 | ||
| 161 | K | 42.7 | Very low | 42.6 | Very low | 204 Ų | 204 | 154.6 Ų | 154.6 | 89% | 0.887 | 85% | 0.848 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.1 | 9.2 | 173.9 | -81.4 | -173.4 | 177.8 | 178 | 0 | 116.3 | ||
| 162 | S | 44 | Very low | 42.8 | Very low | 110 Ų | 110 | 157 Ų | 157 | 77% | 0.769 | 85% | 0.852 | S | S | * | * | S | Bend | trans | -102.5 | 3.6 | 178.9 | -160.1 | 0 | 0 | 0 | 0 | 115.7 | ||
| 163 | K | 45.9 | Very low | 42.8 | Very low | 206 Ų | 206 | 157.8 Ų | 157.8 | 90% | 0.896 | 85% | 0.85 | S | S | * | * | S | Bend | trans | -117.5 | 51.5 | 176.7 | -72.3 | -164.3 | 177.7 | -174.9 | 0 | 113.7 | ||
| 164 | V | 41.5 | Very low | 43.1 | Very low | 145 Ų | 145 | 155.8 Ų | 155.8 | 88% | 0.879 | 85% | 0.852 | S | S | * | * | trans | -141.9 | 81 | 156.5 | -177.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 165 | A | 43.3 | Very low | 43.3 | Very low | 92 Ų | 92 | 153.9 Ų | 153.9 | 76% | 0.76 | 85% | 0.851 | S | S | * | * | S | Bend | trans | -151.2 | 92.5 | 160.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 166 | K | 41.8 | Very low | 43.5 | Very low | 202 Ų | 202 | 158.2 Ų | 158.2 | 88% | 0.878 | 86% | 0.857 | S | S | * | * | trans | 75 | 97.6 | 149.1 | -62 | -175.8 | 176.2 | -178.4 | 0 | 118.8 | ||||
| 167 | D | 41.4 | Very low | 43.5 | Very low | 155 Ų | 155 | 163.2 Ų | 163.2 | 83% | 0.829 | 87% | 0.873 | S | S | * | * | trans | -29.3 | 130.1 | 138.9 | -83.7 | -75.2 | 0 | 0 | 0 | 114 | ||||
| 168 | P | 40.4 | Very low | 43.5 | Very low | 124 Ų | 124 | 162 Ų | 162 | 81% | 0.805 | 88% | 0.876 | S | S | * | * | trans | -89.2 | 123.6 | 154.4 | 31.8 | -24.8 | 0 | 0 | 0 | 110.4 | ||||
| 169 | L | 50.6 | Low | 43.3 | Very low | 243 Ų | 243 | 165.6 Ų | 165.6 | 100% | 1.272 | 88% | 0.878 | S | S | * | * | trans | -118.5 | 0 | 153.5 | -107.6 | 155.8 | 0 | 0 | 0 | 107.1 |
Retrieved 169 of 169 residues in 25.2 ms
(Link to these results)