| 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 | 56.9 | Low | 69.8 | Low | 248 Ų | 248 | 126.4 Ų | 126.4 | 100% | 1.222 | 65% | 0.652 | S | S | * | * | 0 | 128.5 | 0 | -74.3 | 174.4 | 161 | 0 | 0 | 108.2 | |||||
| 2 | I | 65 | Low | 69.4 | Low | 115 Ų | 115 | 125.2 Ų | 125.2 | 59% | 0.59 | 66% | 0.655 | S | S | * | * | trans | -73.1 | 132 | -176.1 | -62.6 | 170.2 | 0 | 0 | 0 | 109 | M6 V7 | I2-M6 HydrophobicContact CG2-CB 3.53Å; I2-M6 HydrophobicContact CG2-CG 3.62Å; I2-V7 HydrophobicContact CG2-CG2 4.07Å | ||
| 3 | S | 77.2 | Confident | 67.2 | Low | 72 Ų | 72 | 119 Ų | 119 | 50% | 0.503 | 63% | 0.633 | S | S | . | * | trans | -64.1 | 151.3 | -177 | 76 | 0 | 0 | 0 | 0 | 112 | A5 M6 V7 | S3-A5 PolarHBondContact O-N 3.35Å; S3-M6 WeakPolarHBondContact O-CB 3.13Å; S3-M6 PolarHBondContact O-N 3.13Å; S3-M6 WeakPolarHBondContact OG-CB 3.5Å; S3-M6 PolarHBondContact OG-N 3.17Å; S3-V7 PolarHBondContact O-N 2.69Å | ||
| 4 | K | 81.4 | Confident | 65.8 | Low | 194 Ų | 194 | 119.1 Ų | 119.1 | 84% | 0.843 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -55.5 | -35.1 | 177.8 | -83.7 | 179.4 | 177.5 | 174.6 | 0 | 112.7 | V7 A8 | K4-V7 PolarHBondContact O-N 3.45Å; K4-A8 PolarHBondContact O-N 3.47Å |
| 5 | A | 76.1 | Confident | 64.3 | Low | 76 Ų | 76 | 125.3 Ų | 125.3 | 63% | 0.628 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -64.8 | -40.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S3 A8 Y9 | S3-A5 PolarHBondContact O-N 3.35Å; A5-A8 PolarHBondContact O-N 3.06Å; A5-Y9 PolarHBondContact O-N 2.99Å |
| 6 | M | 62 | Low | 62.6 | Low | 112 Ų | 112 | 128.9 Ų | 128.9 | 55% | 0.552 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -71.2 | -31.6 | 178 | -164.4 | 116.6 | 151.2 | 0 | 0 | 112 | I2 S3 L10 | I2-M6 HydrophobicContact CG2-CB 3.53Å; I2-M6 HydrophobicContact CG2-CG 3.62Å; S3-M6 WeakPolarHBondContact O-CB 3.13Å; S3-M6 PolarHBondContact O-N 3.13Å; S3-M6 WeakPolarHBondContact OG-CB 3.5Å; S3-M6 PolarHBondContact OG-N 3.17Å; M6-L10 WeakPolarHBondContact O-CB 3.49Å; M6-L10 VanDerWaalsContact O-CG 3.27Å; M6-L10 WeakPolarHBondContact O-CG 3.22Å; M6-L10 PolarHBondContact O-N 3.16Å; M6-L10 VanDerWaalsContact O-N 3.08Å |
| 7 | V | 74.2 | Confident | 61.1 | Low | 62 Ų | 62 | 134.4 Ų | 134.4 | 38% | 0.376 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -67.3 | -37.9 | 170.4 | 176.1 | 0 | 0 | 0 | 0 | 111.8 | I2 S3 K4 K11 | I2-V7 HydrophobicContact CG2-CG2 4.07Å; S3-V7 PolarHBondContact O-N 2.69Å; K4-V7 PolarHBondContact O-N 3.45Å; V7-K11 WeakPolarHBondContact O-CG 3.28Å; V7-K11 PolarHBondContact O-N 3.46Å |
| 8 | A | 75.2 | Confident | 59.8 | Low | 54 Ų | 54 | 132 Ų | 132 | 45% | 0.446 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -67.4 | -42.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | K4 A5 L10 K11 T12 | K4-A8 PolarHBondContact O-N 3.47Å; A5-A8 PolarHBondContact O-N 3.06Å; A8-L10 PolarHBondContact O-N 3Å; A8-K11 PolarHBondContact O-N 3.42Å; A8-K11 VanDerWaalsContact O-N 3.16Å; A8-T12 PolarHBondContact O-N 3.24Å; A8-T12 PolarHBondContact O-OG1 3.34Å |
| 9 | Y | 66.8 | Low | 58.7 | Low | 169 Ų | 169 | 128.3 Ų | 128.3 | 66% | 0.663 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -61.2 | -42.1 | 176.4 | -174.7 | -98.4 | 0 | 0 | 0 | 112.7 | A5 K11 T12 A13 | A5-Y9 PolarHBondContact O-N 2.99Å; Y9-K11 VanDerWaalsContact C-N 3.26Å; Y9-K11 PolarHBondContact O-N 2.91Å; Y9-T12 PolarHBondContact O-N 2.96Å; Y9-T12 PolarHBondContact O-OG1 3.02Å; Y9-T12 VanDerWaalsContact O-OG1 3.1Å; Y9-A13 PolarHBondContact O-N 3.25Å |
| 10 | L | 65.5 | Low | 57.8 | Low | 114 Ų | 114 | 128.2 Ų | 128.2 | 60% | 0.597 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -67.5 | -22.8 | 176.6 | -72.8 | 170.2 | 0 | 0 | 0 | 113.5 | M6 A8 | M6-L10 WeakPolarHBondContact O-CB 3.49Å; M6-L10 VanDerWaalsContact O-CG 3.27Å; M6-L10 WeakPolarHBondContact O-CG 3.22Å; M6-L10 PolarHBondContact O-N 3.16Å; M6-L10 VanDerWaalsContact O-N 3.08Å; A8-L10 PolarHBondContact O-N 3Å |
| 11 | K | 67.7 | Low | 57.1 | Low | 174 Ų | 174 | 130.4 Ų | 130.4 | 76% | 0.757 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -82.1 | -21.8 | 176 | -75.7 | 179.1 | 178.9 | -173.4 | 0 | 113.5 | V7 A8 Y9 | V7-K11 WeakPolarHBondContact O-CG 3.28Å; V7-K11 PolarHBondContact O-N 3.46Å; A8-K11 PolarHBondContact O-N 3.42Å; A8-K11 VanDerWaalsContact O-N 3.16Å; Y9-K11 VanDerWaalsContact C-N 3.26Å; Y9-K11 PolarHBondContact O-N 2.91Å |
| 12 | T | 64.4 | Low | 56.5 | Low | 112 Ų | 112 | 129.5 Ų | 129.5 | 69% | 0.687 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -100.8 | -7.4 | -177.5 | 48.3 | 0 | 0 | 0 | 0 | 114.2 | A8 Y9 | A8-T12 PolarHBondContact O-N 3.24Å; A8-T12 PolarHBondContact O-OG1 3.34Å; Y9-T12 PolarHBondContact O-N 2.96Å; Y9-T12 PolarHBondContact O-OG1 3.02Å; Y9-T12 VanDerWaalsContact O-OG1 3.1Å |
| 13 | A | 41.4 | Very low | 55.4 | Low | 45 Ų | 45 | 134.7 Ų | 134.7 | 37% | 0.372 | 66% | 0.66 | S | S | . | * | trans | -72.3 | 127.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y9 W15 | Y9-A13 PolarHBondContact O-N 3.25Å; A13-W15 PolarHBondContact O-N 2.96Å | ||
| 14 | P | 48 | Very low | 54 | Low | 121 Ų | 121 | 136 Ų | 136 | 79% | 0.786 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -74.6 | -2.5 | -179.1 | 27.6 | -30.4 | 0 | 0 | 0 | 113.7 | ||
| 15 | W | 42 | Very low | 52.5 | Low | 211 Ų | 211 | 129.4 Ų | 129.4 | 80% | 0.799 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -126.3 | 110.2 | 178.4 | -60.2 | 93 | 0 | 0 | 0 | 109.1 | A13 Y17 | A13-W15 PolarHBondContact O-N 2.96Å; W15-Y17 PolarHBondContact O-N 3.06Å |
| 16 | Q | 38.4 | Very low | 51.7 | Low | 184 Ų | 184 | 131.3 Ų | 131.3 | 86% | 0.86 | 64% | 0.642 | S | S | * | * | trans | -69.8 | 114.2 | 167.9 | -150.2 | 157.1 | -12.9 | 0 | 0 | 107.1 | D18 | Q16-D18 PolarHBondContact O-N 3.46Š| ||
| 17 | Y | 35.8 | Very low | 51.2 | Low | 222 Ų | 222 | 131.1 Ų | 131.1 | 87% | 0.871 | 64% | 0.643 | S | S | * | * | trans | -62.6 | 97.2 | 176 | -165.2 | -90.5 | 0 | 0 | 0 | 108.6 | W15 G19 | W15-Y17 PolarHBondContact O-N 3.06Å; Y17-G19 PolarHBondContact O-N 3.47Å; Y17-G19 VanDerWaalsContact O-N 3.12Å | ||
| 18 | D | 38.1 | Very low | 50.1 | Low | 91 Ų | 91 | 129.9 Ų | 129.9 | 49% | 0.487 | 64% | 0.639 | S | S | . | * | trans | -68.3 | 107.5 | 168.3 | -86 | -29.2 | 0 | 0 | 0 | 107.9 | Q16 R20 | Q16-D18 PolarHBondContact O-N 3.46Å; D18-R20 HydrophobicContact CB-CG 4.14Å; D18-R20 PolarHBondContact O-N 3.36Å; D18-R20 IonicContact OD2-CZ 3.33Å; D18-R20 IonicContact OD2-NE 3.31Å; D18-R20 PolarHBondContact OD2-NE 3.21Å; D18-R20 IonicContact OD2-NH2 2.74Å; D18-R20 PolarHBondContact OD2-NH2 3.38Å | ||
| 19 | G | 39.1 | Very low | 49.3 | Very low | 62 Ų | 62 | 134.1 Ų | 134.1 | 64% | 0.639 | 65% | 0.649 | S | S | * | * | trans | -65 | 51 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y17 H21 | Y17-G19 PolarHBondContact O-N 3.47Å; Y17-G19 VanDerWaalsContact O-N 3.12Å; G19-H21 PolarHBondContact O-N 3.06Å; G19-H21 VanDerWaalsContact O-N 3.09Å | ||
| 20 | R | 41.4 | Very low | 48.9 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 48% | 0.475 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.2 | 88.3 | 175 | -86.2 | -178.4 | -80.2 | 174.8 | -11.4 | 108.7 | D18 F65 | D18-R20 HydrophobicContact CB-CG 4.14Å; D18-R20 PolarHBondContact O-N 3.36Å; D18-R20 IonicContact OD2-CZ 3.33Å; D18-R20 IonicContact OD2-NE 3.31Å; D18-R20 PolarHBondContact OD2-NE 3.21Å; D18-R20 IonicContact OD2-NH2 2.74Å; D18-R20 PolarHBondContact OD2-NH2 3.38Å; R20-F65 VanDerWaalsContact CZ-CD2 3.42Å; R20-F65 VanDerWaalsContact NH2-CZ 3.32Å |
| 21 | H | 42.6 | Very low | 48.3 | Very low | 175 Ų | 175 | 133.7 Ų | 133.7 | 81% | 0.81 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 179.2 | 24 | 137.7 | -91.3 | -49.4 | 0 | 0 | 0 | 114.9 | G19 | G19-H21 PolarHBondContact O-N 3.06Å; G19-H21 VanDerWaalsContact O-N 3.09Å |
| 22 | R | 43.9 | Very low | 47.3 | Very low | 228 Ų | 228 | 129.8 Ų | 129.8 | 86% | 0.86 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -118.6 | -13.3 | 168.2 | -73 | -163.8 | -170.8 | -166.7 | 4.3 | 116.4 | ||
| 23 | R | 42.2 | Very low | 46.2 | Very low | 224 Ų | 224 | 131.8 Ų | 131.8 | 85% | 0.845 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -3.6 | -173.3 | -71.1 | -173.2 | 179 | 160.4 | 0.1 | 115.7 | ||
| 24 | T | 48.2 | Very low | 46.2 | Very low | 99 Ų | 99 | 133.9 Ų | 133.9 | 61% | 0.607 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -83.9 | -5.8 | 176.1 | 48.2 | 0 | 0 | 0 | 0 | 113.6 | A28 | T24-A28 WeakPolarHBondContact O-CB 3.4Å; T24-A28 PolarHBondContact O-N 3.47Å |
| 25 | S | 49.6 | Very low | 45.7 | Very low | 56 Ų | 56 | 136.7 Ų | 136.7 | 39% | 0.392 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -73 | -41.8 | 178.9 | 79.3 | 0 | 0 | 0 | 0 | 112.5 | A28 Q29 | S25-A28 PolarHBondContact O-N 2.9Å; S25-Q29 WeakPolarHBondContact O-CA 3.41Å; S25-Q29 WeakPolarHBondContact O-CB 3.08Å; S25-Q29 VanDerWaalsContact O-CD 3.26Å; S25-Q29 WeakPolarHBondContact O-CG 3.06Å; S25-Q29 PolarHBondContact O-N 3.47Å |
| 26 | I | 58.5 | Low | 45.5 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 60% | 0.595 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -71 | -42.2 | -175.6 | -63.1 | 166.5 | 0 | 0 | 0 | 111.3 | Q29 L30 | I26-Q29 PolarHBondContact O-N 3.47Å; I26-L30 HydrophobicContact CG2-CD1 4.5Å; I26-L30 WeakPolarHBondContact O-CB 3.33Å; I26-L30 PolarHBondContact O-N 3.43Å |
| 27 | L | 52.1 | Low | 45.6 | Very low | 109 Ų | 109 | 131.3 Ų | 131.3 | 57% | 0.571 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -70.7 | -33.5 | 175.2 | -91.9 | 164.4 | 0 | 0 | 0 | 112.6 | F31 | L27-F31 PolarHBondContact O-N 3.42Å |
| 28 | A | 51.9 | Low | 46.1 | Very low | 36 Ų | 36 | 127.9 Ų | 127.9 | 30% | 0.298 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -75.1 | -30.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | T24 S25 F31 F35 | T24-A28 WeakPolarHBondContact O-CB 3.4Å; T24-A28 PolarHBondContact O-N 3.47Å; S25-A28 PolarHBondContact O-N 2.9Å; A28-F31 CarbonylContact O-C 3.58Å; A28-F31 PolarHBondContact O-N 2.99Å; A28-F35 HydrophobicContact CB-CE2 3.99Å; A28-F35 HydrophobicContact CB-CZ 4.24Å |
| 29 | Q | 56.9 | Low | 46.6 | Very low | 142 Ų | 142 | 129.3 Ų | 129.3 | 66% | 0.664 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -72.9 | -30.8 | 175.7 | -78.1 | 163.5 | 0.4 | 0 | 0 | 111.7 | S25 I26 | S25-Q29 WeakPolarHBondContact O-CA 3.41Å; S25-Q29 WeakPolarHBondContact O-CB 3.08Å; S25-Q29 VanDerWaalsContact O-CD 3.26Å; S25-Q29 WeakPolarHBondContact O-CG 3.06Å; S25-Q29 PolarHBondContact O-N 3.47Å; I26-Q29 PolarHBondContact O-N 3.47Å |
| 30 | L | 58.6 | Low | 47.3 | Very low | 136 Ų | 136 | 133.2 Ų | 133.2 | 71% | 0.712 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -75.5 | -21.9 | 173.2 | -102.2 | 154.7 | 0 | 0 | 0 | 113.8 | I26 | I26-L30 HydrophobicContact CG2-CD1 4.5Å; I26-L30 WeakPolarHBondContact O-CB 3.33Å; I26-L30 PolarHBondContact O-N 3.43Å |
| 31 | F | 52.6 | Low | 48.2 | Very low | 138 Ų | 138 | 130 Ų | 130 | 61% | 0.605 | 67% | 0.667 | S | S | * | * | trans | -116.8 | 56.1 | -176.3 | -85.5 | -87.7 | 0 | 0 | 0 | 111.8 | L27 A28 L33 | L27-F31 PolarHBondContact O-N 3.42Å; A28-F31 CarbonylContact O-C 3.58Å; A28-F31 PolarHBondContact O-N 2.99Å; F31-L33 PolarHBondContact O-N 3.22Å | ||
| 32 | A | 48 | Very low | 49.5 | Very low | 93 Ų | 93 | 125.1 Ų | 125.1 | 77% | 0.769 | 66% | 0.657 | S | S | * | * | trans | -67.1 | 49.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 33 | L | 41.7 | Very low | 51 | Low | 153 Ų | 153 | 122.8 Ų | 122.8 | 80% | 0.801 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -124.4 | 110.4 | 167.7 | -71.4 | 172.1 | 0 | 0 | 0 | 107.3 | F31 | F31-L33 PolarHBondContact O-N 3.22Š|
| 34 | A | 39.9 | Very low | 52.6 | Low | 90 Ų | 90 | 114.6 Ų | 114.6 | 74% | 0.744 | 63% | 0.634 | S | S | * | * | trans | 16.4 | 109.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | K36 | A34-K36 PolarHBondContact O-N 3.41Š| ||
| 35 | F | 38.9 | Very low | 54 | Low | 180 Ų | 180 | 111.8 Ų | 111.8 | 79% | 0.789 | 61% | 0.614 | S | S | * | * | trans | -58.9 | 77.3 | 167.1 | -103.3 | -95.7 | 0 | 0 | 0 | 111.1 | A28 | A28-F35 HydrophobicContact CB-CE2 3.99Å; A28-F35 HydrophobicContact CB-CZ 4.24Å | ||
| 36 | K | 37.6 | Very low | 55.5 | Low | 167 Ų | 167 | 111.9 Ų | 111.9 | 73% | 0.726 | 62% | 0.619 | S | S | * | * | trans | -68.8 | 142.6 | 151.7 | -73.3 | -179.8 | 178.9 | 178.9 | 0 | 106.4 | A34 L38 | A34-K36 PolarHBondContact O-N 3.41Å; K36-L38 PolarHBondContact O-N 3.24Å | ||
| 37 | P | 39.8 | Very low | 56.7 | Low | 114 Ų | 114 | 116 Ų | 116 | 74% | 0.74 | 63% | 0.628 | S | S | * | * | trans | -53.4 | 117.5 | 176.2 | 24.1 | -32.4 | 0 | 0 | 0 | 106.4 | V39 | P37-V39 PolarHBondContact O-N 2.96Š| ||
| 38 | L | 45.5 | Very low | 58.2 | Low | 150 Ų | 150 | 115.8 Ų | 115.8 | 79% | 0.785 | 63% | 0.627 | S | S | * | * | trans | -64 | 80.2 | 176.4 | -83.2 | 165.1 | 0 | 0 | 0 | 106.8 | K36 R40 | K36-L38 PolarHBondContact O-N 3.24Å; L38-R40 PolarHBondContact O-N 3.43Å | ||
| 39 | V | 49 | Very low | 59.6 | Low | 122 Ų | 122 | 119.7 Ų | 119.7 | 74% | 0.739 | 64% | 0.638 | S | S | * | * | trans | -51.1 | 114.6 | 163.5 | 168.1 | 0 | 0 | 0 | 0 | 104 | P37 S41 | P37-V39 PolarHBondContact O-N 2.96Å; V39-S41 PolarHBondContact O-N 3.41Å | ||
| 40 | R | 53.6 | Low | 61 | Low | 143 Ų | 143 | 118.2 Ų | 118.2 | 54% | 0.54 | 64% | 0.64 | S | S | . | * | trans | -43.2 | 78 | -176 | -71 | 165 | 156.6 | 164.7 | -12.7 | 111.7 | L38 A42 V64 C66 | L38-R40 PolarHBondContact O-N 3.43Å; R40-A42 VanDerWaalsContact C-N 3.3Å; R40-A42 PolarHBondContact O-N 3.21Å; R40-V64 PolarHBondContact NH2-O 3.22Å; R40-C66 PolarHBondContact NH1-O 3.46Å; R40-C66 PolarHBondContact NH2-O 3.5Å | ||
| 41 | S | 61.7 | Low | 62.1 | Low | 58 Ų | 58 | 113.8 Ų | 113.8 | 41% | 0.406 | 62% | 0.621 | S | S | . | * | trans | -83.9 | 89.5 | 172.5 | 79.6 | 0 | 0 | 0 | 0 | 106 | V39 K43 A44 I45 | V39-S41 PolarHBondContact O-N 3.41Å; S41-K43 PolarHBondContact O-N 2.94Å; S41-A44 PolarHBondContact O-N 2.91Å; S41-A44 WeakPolarHBondContact OG-CB 3.35Å; S41-A44 PolarHBondContact OG-N 3.36Å; S41-I45 PolarHBondContact O-N 3.32Å | ||
| 42 | A | 68.6 | Low | 63.7 | Low | 74 Ų | 74 | 110.9 Ų | 110.9 | 61% | 0.612 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -48.6 | -26.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | R40 I45 A46 | R40-A42 VanDerWaalsContact C-N 3.3Å; R40-A42 PolarHBondContact O-N 3.21Å; A42-I45 PolarHBondContact O-N 3.4Å; A42-A46 WeakPolarHBondContact O-CB 3.42Å; A42-A46 PolarHBondContact O-N 3.18Å |
| 43 | K | 76.2 | Confident | 65.7 | Low | 178 Ų | 178 | 110.6 Ų | 110.6 | 77% | 0.774 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -60.8 | -42.9 | 171 | -161.6 | 168.5 | -174.7 | 174.8 | 0 | 114.2 | S41 A46 Y47 | S41-K43 PolarHBondContact O-N 2.94Å; K43-A46 PolarHBondContact O-N 3.05Å; K43-Y47 WeakPolarHBondContact O-CB 3.47Å; K43-Y47 PolarHBondContact O-N 3.36Å |
| 44 | A | 75 | Confident | 68 | Low | 53 Ų | 53 | 113 Ų | 113 | 44% | 0.438 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -67.5 | -37.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | S41 Y47 L48 | S41-A44 PolarHBondContact O-N 2.91Å; S41-A44 WeakPolarHBondContact OG-CB 3.35Å; S41-A44 PolarHBondContact OG-N 3.36Å; A44-Y47 PolarHBondContact O-N 3.4Å; A44-L48 PolarHBondContact O-N 3.43Å |
| 45 | I | 77.7 | Confident | 70.2 | Confident | 39 Ų | 39 | 111 Ų | 111 | 20% | 0.2 | 60% | 0.603 | C | S | . | * | H | α-helix | trans | -65.9 | -43.8 | 175.8 | -58.6 | 171.4 | 0 | 0 | 0 | 110.5 | S41 A42 Y47 L48 F49 P60 M62 | S41-I45 PolarHBondContact O-N 3.32Å; A42-I45 PolarHBondContact O-N 3.4Å; I45-Y47 VanDerWaalsContact C-N 3.26Å; I45-Y47 PolarHBondContact O-N 2.88Å; I45-L48 PolarHBondContact O-N 3.42Å; I45-F49 HydrophobicContact CG2-CD2 4.38Å; I45-F49 PolarHBondContact O-N 3.28Å; I45-P60 VanDerWaalsContact CG2-O 3.3Å; I45-P60 WeakPolarHBondContact CG2-O 3.01Å; I45-M62 HydrophobicContact CD1-CB 3.64Å |
| 46 | A | 81.8 | Confident | 72.3 | Confident | 59 Ų | 59 | 106.6 Ų | 106.6 | 49% | 0.488 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.8 | -31.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A42 K43 F49 P50 | A42-A46 WeakPolarHBondContact O-CB 3.42Å; A42-A46 PolarHBondContact O-N 3.18Å; K43-A46 PolarHBondContact O-N 3.05Å; A46-F49 CarbonylContact O-C 3.56Å; A46-P50 WeakPolarHBondContact O-CA 3.33Å |
| 47 | Y | 82.7 | Confident | 74.6 | Confident | 201 Ų | 201 | 104.9 Ų | 104.9 | 79% | 0.788 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -72.3 | -43.3 | 174.7 | -172.7 | -95.8 | 0 | 0 | 0 | 112.1 | K43 A44 I45 | K43-Y47 WeakPolarHBondContact O-CB 3.47Å; K43-Y47 PolarHBondContact O-N 3.36Å; A44-Y47 PolarHBondContact O-N 3.4Å; I45-Y47 VanDerWaalsContact C-N 3.26Å; I45-Y47 PolarHBondContact O-N 2.88Å |
| 48 | L | 84.9 | Confident | 76.7 | Confident | 105 Ų | 105 | 102.2 Ų | 102.2 | 55% | 0.55 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -72.5 | -36.6 | -178.8 | -143.6 | 86.1 | 0 | 0 | 0 | 112.5 | A44 I45 | A44-L48 PolarHBondContact O-N 3.43Å; I45-L48 PolarHBondContact O-N 3.42Å |
| 49 | F | 81.6 | Confident | 78.5 | Confident | 119 Ų | 119 | 100.4 Ų | 100.4 | 52% | 0.522 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -127.1 | 75 | -179.1 | -56.4 | -71.3 | 0 | 0 | 0 | 110.3 | I45 A46 S51 P60 | I45-F49 HydrophobicContact CG2-CD2 4.38Å; I45-F49 PolarHBondContact O-N 3.28Å; A46-F49 CarbonylContact O-C 3.56Å; F49-S51 PolarHBondContact O-N 3.07Å; F49-P60 HydrophobicContact CB-CB 4.27Å; F49-P60 HydrophobicContact CB-CG 3.65Å |
| 50 | P | 85.6 | Confident | 80.1 | Confident | 111 Ų | 111 | 97.3 Ų | 97.3 | 72% | 0.721 | 55% | 0.549 | S | S | * | . | trans | -65.9 | 108.4 | 178.5 | 26.9 | -33.2 | 0 | 0 | 0 | 109.5 | A46 | A46-P50 WeakPolarHBondContact O-CA 3.33Š| ||
| 51 | S | 81.5 | Confident | 81.3 | Confident | 43 Ų | 43 | 94.6 Ų | 94.6 | 30% | 0.301 | 55% | 0.548 | S | S | . | . | trans | -111.7 | 125.2 | 176.8 | 64.8 | 0 | 0 | 0 | 0 | 110.7 | F49 L53 P60 | F49-S51 PolarHBondContact O-N 3.07Å; S51-L53 PolarHBondContact O-N 3.3Å; S51-P60 WeakPolarHBondContact OG-CD 3.25Å | ||
| 52 | G | 87 | Confident | 81.6 | Confident | 77 Ų | 77 | 98.4 Ų | 98.4 | 79% | 0.794 | 56% | 0.561 | S | S | * | * | trans | -81.2 | 17 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | F54 | G52-F54 PolarHBondContact O-N 3.31Š| ||
| 53 | L | 89.6 | Confident | 81.2 | Confident | 87 Ų | 87 | 102.8 Ų | 102.8 | 46% | 0.455 | 57% | 0.566 | S | S | . | * | trans | -74.4 | 127.5 | -175.5 | -63.7 | 175.1 | 0 | 0 | 0 | 110.8 | S51 A55 A58 R59 | S51-L53 PolarHBondContact O-N 3.3Å; L53-A55 PolarHBondContact O-N 3.29Å; L53-A58 HydrophobicContact CD1-CB 4.03Å; L53-A58 WeakPolarHBondContact CD1-O 3.19Å; L53-R59 HydrophobicContact CB-CG 4.35Å; L53-R59 PolarHBondContact O-NE 3.47Å; L53-R59 PolarHBondContact O-NH2 2.95Å | ||
| 54 | F | 89.2 | Confident | 79.7 | Confident | 203 Ų | 203 | 98.5 Ų | 98.5 | 89% | 0.89 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -64.7 | -38.7 | 179 | -67.9 | -72.8 | 0 | 0 | 0 | 112.5 | G52 P56 | G52-F54 PolarHBondContact O-N 3.31Å; F54-P56 WeakPolarHBondContact O-CD 3.44Å |
| 55 | A | 87.8 | Confident | 77.7 | Confident | 48 Ų | 48 | 102.8 Ų | 102.8 | 40% | 0.397 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -77.3 | 117.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | L53 T57 A58 | L53-A55 PolarHBondContact O-N 3.29Å; A55-T57 VanDerWaalsContact C-N 3.26Å; A55-T57 PolarHBondContact O-N 3.39Å; A55-A58 HydrophobicContact CB-CB 4.16Å; A55-A58 PolarHBondContact O-N 2.91Å; A55-A58 VanDerWaalsContact O-N 3.15Å |
| 56 | P | 83.2 | Confident | 75.4 | Confident | 88 Ų | 88 | 104.9 Ų | 104.9 | 57% | 0.571 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -67 | -26.5 | -176.9 | 26.2 | -33.9 | 0 | 0 | 0 | 113 | F54 A58 R59 | F54-P56 WeakPolarHBondContact O-CD 3.44Å; P56-A58 VanDerWaalsContact C-N 3.29Å; P56-A58 PolarHBondContact O-N 3.34Å; P56-R59 WeakPolarHBondContact O-CB 3.45Å; P56-R59 PolarHBondContact O-N 2.84Å |
| 57 | T | 84.2 | Confident | 73.1 | Confident | 130 Ų | 130 | 108.1 Ų | 108.1 | 80% | 0.798 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -70.6 | -23.8 | 176.4 | 50.5 | 0 | 0 | 0 | 0 | 113.4 | A55 | A55-T57 VanDerWaalsContact C-N 3.26Å; A55-T57 PolarHBondContact O-N 3.39Å |
| 58 | A | 84.5 | Confident | 70.6 | Confident | 58 Ų | 58 | 108.4 Ų | 108.4 | 48% | 0.479 | 60% | 0.6 | S | S | . | * | G | 310 helix | trans | -88.6 | -10.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L53 A55 P56 | L53-A58 HydrophobicContact CD1-CB 4.03Å; L53-A58 WeakPolarHBondContact CD1-O 3.19Å; A55-A58 HydrophobicContact CB-CB 4.16Å; A55-A58 PolarHBondContact O-N 2.91Å; A55-A58 VanDerWaalsContact O-N 3.15Å; P56-A58 VanDerWaalsContact C-N 3.29Å; P56-A58 PolarHBondContact O-N 3.34Å |
| 59 | R | 84 | Confident | 68.3 | Low | 113 Ų | 113 | 107.2 Ų | 107.2 | 43% | 0.426 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -69.7 | 148.9 | 175.5 | -62.3 | -178.3 | -174.9 | 179.7 | 0.1 | 109.9 | L53 P56 V61 | L53-R59 HydrophobicContact CB-CG 4.35Å; L53-R59 PolarHBondContact O-NE 3.47Å; L53-R59 PolarHBondContact O-NH2 2.95Å; P56-R59 WeakPolarHBondContact O-CB 3.45Å; P56-R59 PolarHBondContact O-N 2.84Å; R59-V61 PolarHBondContact O-N 2.85Å |
| 60 | P | 81.3 | Confident | 66.6 | Low | 57 Ų | 57 | 109.2 Ų | 109.2 | 37% | 0.37 | 61% | 0.609 | S | S | . | * | trans | -61.7 | 115.9 | 174.7 | 24.8 | -29.4 | 0 | 0 | 0 | 108.8 | I45 F49 S51 | I45-P60 VanDerWaalsContact CG2-O 3.3Å; I45-P60 WeakPolarHBondContact CG2-O 3.01Å; F49-P60 HydrophobicContact CB-CB 4.27Å; F49-P60 HydrophobicContact CB-CG 3.65Å; S51-P60 WeakPolarHBondContact OG-CD 3.25Å | ||
| 61 | V | 79.7 | Confident | 64.4 | Low | 86 Ų | 86 | 107.5 Ų | 107.5 | 52% | 0.521 | 61% | 0.612 | S | S | . | * | trans | -122.8 | 125.4 | 176.5 | -71.1 | 0 | 0 | 0 | 0 | 108.4 | R59 K63 | R59-V61 PolarHBondContact O-N 2.85Å; V61-K63 HydrophobicContact CG2-CG 4.13Å; V61-K63 PolarHBondContact O-N 2.83Å; V61-K63 VanDerWaalsContact O-N 3.16Å | ||
| 62 | M | 67.5 | Low | 62.8 | Low | 138 Ų | 138 | 107.6 Ų | 107.6 | 68% | 0.68 | 61% | 0.612 | S | S | * | * | trans | -83.4 | 92.5 | 168.9 | -165.5 | 163.9 | 63 | 0 | 0 | 107.7 | I45 V64 | I45-M62 HydrophobicContact CD1-CB 3.64Å; M62-V64 PolarHBondContact O-N 3.07Å; M62-V64 VanDerWaalsContact O-N 3.1Å | ||
| 63 | K | 60.6 | Low | 61.2 | Low | 166 Ų | 166 | 106.1 Ų | 106.1 | 72% | 0.722 | 59% | 0.59 | S | S | * | * | trans | -69.1 | 105.5 | 178 | -75.7 | 176.5 | -177.8 | 170.4 | 0 | 109.4 | V61 F65 | V61-K63 HydrophobicContact CG2-CG 4.13Å; V61-K63 PolarHBondContact O-N 2.83Å; V61-K63 VanDerWaalsContact O-N 3.16Å; K63-F65 PolarHBondContact O-N 3.36Å | ||
| 64 | V | 45.7 | Very low | 59.3 | Low | 87 Ų | 87 | 105 Ų | 105 | 53% | 0.527 | 58% | 0.581 | S | S | . | * | trans | -77.9 | 117.3 | 154.8 | -169 | 0 | 0 | 0 | 0 | 105.5 | R40 M62 C66 | R40-V64 PolarHBondContact NH2-O 3.22Å; M62-V64 PolarHBondContact O-N 3.07Å; M62-V64 VanDerWaalsContact O-N 3.1Å; V64-C66 VanDerWaalsContact C-N 3.26Å; V64-C66 PolarHBondContact O-N 3.23Å | ||
| 65 | F | 31.7 | Very low | 57.4 | Low | 143 Ų | 143 | 98.5 Ų | 98.5 | 63% | 0.627 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -56.9 | 92.6 | 174 | -97.9 | -114.1 | 0 | 0 | 0 | 108.9 | R20 K63 | R20-F65 VanDerWaalsContact CZ-CD2 3.42Å; R20-F65 VanDerWaalsContact NH2-CZ 3.32Å; K63-F65 PolarHBondContact O-N 3.36Å |
| 66 | C | 30 | Very low | 55.7 | Low | 83 Ų | 83 | 101.4 Ų | 101.4 | 56% | 0.561 | 56% | 0.562 | S | S | * | * | trans | -171.1 | 86.9 | 166.4 | -171.6 | 0 | 0 | 0 | 0 | 106.5 | R40 V64 | R40-C66 PolarHBondContact NH1-O 3.46Å; R40-C66 PolarHBondContact NH2-O 3.5Å; V64-C66 VanDerWaalsContact C-N 3.26Å; V64-C66 PolarHBondContact O-N 3.23Å | ||
| 67 | T | 32.9 | Very low | 54.5 | Low | 127 Ų | 127 | 103.1 Ų | 103.1 | 78% | 0.779 | 57% | 0.566 | S | S | * | * | trans | -158.8 | 116.1 | 148 | 32 | 0 | 0 | 0 | 0 | 108.1 | L69 | T67-L69 PolarHBondContact O-N 3.39Š| ||
| 68 | F | 31.1 | Very low | 53 | Low | 208 Ų | 208 | 102 Ų | 102 | 91% | 0.912 | 55% | 0.55 | S | S | * | * | trans | -73.7 | 100.3 | 160.7 | -84.4 | -91.6 | 0 | 0 | 0 | 108.3 | ||||
| 69 | L | 36.4 | Very low | 51.6 | Low | 79 Ų | 79 | 104.1 Ų | 104.1 | 41% | 0.414 | 56% | 0.561 | S | S | . | * | trans | 33.4 | 115.6 | 133.1 | -55.8 | 170.3 | 0 | 0 | 0 | 119.9 | T67 R76 | T67-L69 PolarHBondContact O-N 3.39Å; L69-R76 VanDerWaalsContact CB-NH1 3.3Å; L69-R76 VanDerWaalsContact CG-NH1 3.25Å | ||
| 70 | L | 45 | Very low | 50.3 | Low | 161 Ų | 161 | 103.7 Ų | 103.7 | 84% | 0.843 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -119.1 | 139.5 | 151.7 | -138.8 | 83.4 | 0 | 0 | 0 | 110.2 | ||
| 71 | G | 40.7 | Very low | 49.2 | Very low | 76 Ų | 76 | 103.8 Ų | 103.8 | 78% | 0.784 | 58% | 0.584 | S | S | * | * | S | Bend | trans | 112.8 | -41.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | S73 | G71-S73 PolarHBondContact N-OG 3.25Å; G71-S73 PolarHBondContact O-N 3.03Å |
| 72 | S | 47.9 | Very low | 48.2 | Very low | 44 Ų | 44 | 111.7 Ų | 111.7 | 31% | 0.308 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -90.7 | 24.1 | 169.7 | -2.9 | 0 | 0 | 0 | 0 | 111.9 | R76 | S72-R76 VanDerWaalsContact O-CB 3.26Å; S72-R76 WeakPolarHBondContact O-CB 3.5Å; S72-R76 WeakPolarHBondContact O-CG 3Å; S72-R76 PolarHBondContact O-N 3.15Å; S72-R76 VanDerWaalsContact OG-CZ 3.24Å; S72-R76 PolarHBondContact OG-NH1 3.4Å; S72-R76 PolarHBondContact OG-NH2 3.03Å; S72-R76 VanDerWaalsContact OG-NH2 3.13Å |
| 73 | S | 52.7 | Low | 48.4 | Very low | 47 Ų | 47 | 107.9 Ų | 107.9 | 33% | 0.329 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -73.5 | -35.2 | -164.7 | -52.1 | 0 | 0 | 0 | 0 | 112.4 | G71 L77 | G71-S73 PolarHBondContact N-OG 3.25Å; G71-S73 PolarHBondContact O-N 3.03Å; S73-L77 PolarHBondContact O-N 3.02Å; S73-L77 VanDerWaalsContact O-N 3.11Å |
| 74 | F | 49.6 | Very low | 49.6 | Very low | 62 Ų | 62 | 104.3 Ų | 104.3 | 27% | 0.272 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -71.6 | -45.6 | 175.9 | -168.9 | -99.4 | 0 | 0 | 0 | 112 | R76 L77 F78 Y88 F91 | F74-R76 VanDerWaalsContact C-N 3.29Å; F74-R76 PolarHBondContact O-N 2.97Å; F74-L77 PolarHBondContact O-N 3.19Å; F74-F78 PolarHBondContact O-N 3.44Å; F74-Y88 AromaticContact CD1-CD2 3.95Å; F74-Y88 HydrophobicContact CD1-CD2 3.95Å; F74-Y88 HydrophobicContact CD1-CE2 4.35Å; F74-Y88 HydrophobicContact CD2-CE2 4.43Å; F74-Y88 AromaticContact CE1-CD2 3.68Å; F74-Y88 HydrophobicContact CE1-CD2 3.68Å; F74-Y88 HydrophobicContact CE1-CE2 4.38Å; F74-Y88 HydrophobicContact CE2-CD2 4.38Å; F74-Y88 HydrophobicContact CE2-CE2 4.46Å; F74-Y88 HydrophobicContact CG-CD2 4.42Å; F74-Y88 HydrophobicContact CG-CE2 4.38Å; F74-Y88 AromaticContact CZ-CD2 3.91Å; F74-Y88 HydrophobicContact CZ-CD2 3.91Å; F74-Y88 HydrophobicContact CZ-CE2 4.43Å; F74-F91 AromaticContact CE2-CD1 3.73Å; F74-F91 HydrophobicContact CE2-CD1 3.73Å; F74-F91 AromaticContact CE2-CE1 3.6Å; F74-F91 HydrophobicContact CE2-CE1 3.6Å; F74-F91 HydrophobicContact CE2-CG 4.47Å; F74-F91 HydrophobicContact CE2-CZ 4.25Å; F74-F91 AromaticContact CZ-CD1 3.86Å; F74-F91 HydrophobicContact CZ-CD1 3.86Å; F74-F91 HydrophobicContact CZ-CE1 4.19Å; F74-F91 HydrophobicContact CZ-CG 4.25Å |
| 75 | S | 49.5 | Very low | 51.6 | Low | 67 Ų | 67 | 105.6 Ų | 105.6 | 47% | 0.469 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -72.4 | -17.5 | 177.8 | 33.2 | 0 | 0 | 0 | 0 | 114.1 | F78 S79 | S75-F78 CarbonylContact O-C 3.36Å; S75-S79 VanDerWaalsContact O-CA 3.29Å; S75-S79 WeakPolarHBondContact O-CA 3.49Å; S75-S79 PolarHBondContact O-N 3.12Å |
| 76 | R | 52 | Low | 54.3 | Low | 109 Ų | 109 | 102.4 Ų | 102.4 | 41% | 0.411 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -88.2 | -31.6 | 171.2 | -81.1 | -173.1 | -164.6 | 110.3 | -0.1 | 114.5 | L69 S72 F74 F78 S79 | L69-R76 VanDerWaalsContact CB-NH1 3.3Å; L69-R76 VanDerWaalsContact CG-NH1 3.25Å; S72-R76 VanDerWaalsContact O-CB 3.26Å; S72-R76 WeakPolarHBondContact O-CB 3.5Å; S72-R76 WeakPolarHBondContact O-CG 3Å; S72-R76 PolarHBondContact O-N 3.15Å; S72-R76 VanDerWaalsContact OG-CZ 3.24Å; S72-R76 PolarHBondContact OG-NH1 3.4Å; S72-R76 PolarHBondContact OG-NH2 3.03Å; S72-R76 VanDerWaalsContact OG-NH2 3.13Å; F74-R76 VanDerWaalsContact C-N 3.29Å; F74-R76 PolarHBondContact O-N 2.97Å; R76-F78 VanDerWaalsContact C-N 3.32Å; R76-S79 PolarHBondContact O-N 3.25Å |
| 77 | L | 56.6 | Low | 57.1 | Low | 124 Ų | 124 | 101.4 Ų | 101.4 | 65% | 0.649 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.5 | -41.6 | 172.5 | -90.7 | 162.5 | 0 | 0 | 0 | 110.5 | S73 F74 | S73-L77 PolarHBondContact O-N 3.02Å; S73-L77 VanDerWaalsContact O-N 3.11Å; F74-L77 PolarHBondContact O-N 3.19Å |
| 78 | F | 54.2 | Low | 59.6 | Low | 108 Ų | 108 | 100.7 Ų | 100.7 | 47% | 0.474 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.7 | 62 | 169.5 | -80.2 | -90.7 | 0 | 0 | 0 | 110.7 | F74 S75 R76 A80 | F74-F78 PolarHBondContact O-N 3.44Å; S75-F78 CarbonylContact O-C 3.36Å; R76-F78 VanDerWaalsContact C-N 3.32Å; F78-A80 PolarHBondContact O-N 2.91Å; F78-A80 VanDerWaalsContact O-N 3.09Å |
| 79 | S | 53.9 | Low | 62.4 | Low | 102 Ų | 102 | 94.8 Ų | 94.8 | 71% | 0.713 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -2.5 | 177.9 | -161.5 | 0 | 0 | 0 | 0 | 113.9 | S75 R76 | S75-S79 VanDerWaalsContact O-CA 3.29Å; S75-S79 WeakPolarHBondContact O-CA 3.49Å; S75-S79 PolarHBondContact O-N 3.12Å; R76-S79 PolarHBondContact O-N 3.25Å |
| 80 | A | 57.7 | Low | 65.1 | Low | 104 Ų | 104 | 96.2 Ų | 96.2 | 86% | 0.86 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | -26 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | F78 | F78-A80 PolarHBondContact O-N 2.91Å; F78-A80 VanDerWaalsContact O-N 3.09Å |
| 81 | S | 58.1 | Low | 67.2 | Low | 59 Ų | 59 | 91.4 Ų | 91.4 | 41% | 0.413 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -109.2 | 135.3 | -174.9 | 52.2 | 0 | 0 | 0 | 0 | 112.3 | N83 | S81-N83 VanDerWaalsContact C-N 3.31Å; S81-N83 WeakPolarHBondContact CB-OD1 3.26Å; S81-N83 VanDerWaalsContact O-CG 3.27Å; S81-N83 PolarHBondContact O-N 2.79Å; S81-N83 PolarHBondContact O-OD1 2.85Å; S81-N83 PolarHBondContact OG-OD1 3.16Å |
| 82 | R | 58.9 | Low | 69.6 | Low | 251 Ų | 251 | 90.1 Ų | 90.1 | 95% | 0.947 | 50% | 0.496 | S | S | * | . | trans | -65.2 | 94.5 | 165 | -88.7 | -175.9 | -113.5 | -178.3 | -2.8 | 108.4 | T84 | R82-T84 PolarHBondContact O-N 2.61Š| ||
| 83 | N | 71.2 | Confident | 71.7 | Confident | 59 Ų | 59 | 91.9 Ų | 91.9 | 32% | 0.316 | 50% | 0.504 | S | S | . | . | trans | -76.6 | 116.4 | -177.7 | -55.7 | -31.9 | 0 | 0 | 0 | 109.5 | S81 | S81-N83 VanDerWaalsContact C-N 3.31Å; S81-N83 WeakPolarHBondContact CB-OD1 3.26Å; S81-N83 VanDerWaalsContact O-CG 3.27Å; S81-N83 PolarHBondContact O-N 2.79Å; S81-N83 PolarHBondContact O-OD1 2.85Å; S81-N83 PolarHBondContact OG-OD1 3.16Å | ||
| 84 | T | 86 | Confident | 73.7 | Confident | 90 Ų | 90 | 92.2 Ų | 92.2 | 55% | 0.552 | 51% | 0.51 | S | S | * | . | trans | -81.7 | 153.3 | 170 | 52.5 | 0 | 0 | 0 | 0 | 110.4 | R82 S86 S87 Y88 | R82-T84 PolarHBondContact O-N 2.61Å; T84-S86 PolarHBondContact O-N 3.3Å; T84-S87 PolarHBondContact O-N 3.02Å; T84-S87 WeakPolarHBondContact OG1-CB 3.1Å; T84-S87 PolarHBondContact OG1-N 3.5Å; T84-Y88 PolarHBondContact O-N 3.35Å; T84-Y88 VanDerWaalsContact O-N 3.15Å | ||
| 85 | V | 86.6 | Confident | 75.6 | Confident | 114 Ų | 114 | 90.4 Ų | 90.4 | 69% | 0.691 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -54.4 | -37.3 | 176.1 | -179.5 | 0 | 0 | 0 | 0 | 110.9 | Y88 N89 | V85-Y88 PolarHBondContact O-N 3.1Å; V85-N89 PolarHBondContact O-N 2.77Å |
| 86 | S | 89.9 | Confident | 77.6 | Confident | 76 Ų | 76 | 91.3 Ų | 91.3 | 53% | 0.531 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.7 | -38.8 | 177.7 | -148.5 | 0 | 0 | 0 | 0 | 113 | T84 Y88 N89 N90 | T84-S86 PolarHBondContact O-N 3.3Å; S86-Y88 VanDerWaalsContact C-N 3.33Å; S86-Y88 PolarHBondContact O-N 3.24Å; S86-N89 PolarHBondContact O-N 3.42Å; S86-N90 VanDerWaalsContact O-CG 3.32Å; S86-N90 PolarHBondContact O-N 2.72Å; S86-N90 PolarHBondContact O-OD1 3.01Å |
| 87 | S | 87.7 | Confident | 79.5 | Confident | 63 Ų | 63 | 90.4 Ų | 90.4 | 44% | 0.441 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.7 | -38.7 | 177.4 | -166 | 0 | 0 | 0 | 0 | 111.3 | T84 N90 F91 | T84-S87 PolarHBondContact O-N 3.02Å; T84-S87 WeakPolarHBondContact OG1-CB 3.1Å; T84-S87 PolarHBondContact OG1-N 3.5Å; S87-N90 PolarHBondContact O-N 3.49Å; S87-F91 PolarHBondContact O-N 3.22Å |
| 88 | Y | 85.9 | Confident | 81.2 | Confident | 111 Ų | 111 | 87.3 Ų | 87.3 | 44% | 0.435 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62 | -44.6 | 171.7 | 177 | -102.1 | 0 | 0 | 0 | 112.3 | F74 T84 V85 S86 N90 F91 V92 | F74-Y88 AromaticContact CD1-CD2 3.95Å; F74-Y88 HydrophobicContact CD1-CD2 3.95Å; F74-Y88 HydrophobicContact CD1-CE2 4.35Å; F74-Y88 HydrophobicContact CD2-CE2 4.43Å; F74-Y88 AromaticContact CE1-CD2 3.68Å; F74-Y88 HydrophobicContact CE1-CD2 3.68Å; F74-Y88 HydrophobicContact CE1-CE2 4.38Å; F74-Y88 HydrophobicContact CE2-CD2 4.38Å; F74-Y88 HydrophobicContact CE2-CE2 4.46Å; F74-Y88 HydrophobicContact CG-CD2 4.42Å; F74-Y88 HydrophobicContact CG-CE2 4.38Å; F74-Y88 AromaticContact CZ-CD2 3.91Å; F74-Y88 HydrophobicContact CZ-CD2 3.91Å; F74-Y88 HydrophobicContact CZ-CE2 4.43Å; T84-Y88 PolarHBondContact O-N 3.35Å; T84-Y88 VanDerWaalsContact O-N 3.15Å; V85-Y88 PolarHBondContact O-N 3.1Å; S86-Y88 VanDerWaalsContact C-N 3.33Å; S86-Y88 PolarHBondContact O-N 3.24Å; Y88-N90 PolarHBondContact O-N 3.37Å; Y88-F91 WeakPolarHBondContact O-CB 2.88Å; Y88-F91 PolarHBondContact O-N 2.64Å; Y88-V92 HydrophobicContact CD1-CG2 4.24Å; Y88-V92 HydrophobicContact CD2-CG2 4.5Å; Y88-V92 HydrophobicContact CE1-CG2 3.79Å; Y88-V92 HydrophobicContact CE2-CG2 4.06Å; Y88-V92 WeakPolarHBondContact O-CG2 3.44Å; Y88-V92 PolarHBondContact O-N 3.4Å |
| 89 | N | 90.6 | Very high | 83 | Confident | 84 Ų | 84 | 83.8 Ų | 83.8 | 45% | 0.449 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 177.8 | -69.5 | -16.8 | 0 | 0 | 0 | 112 | V85 S86 F91 V92 V93 | V85-N89 PolarHBondContact O-N 2.77Å; S86-N89 PolarHBondContact O-N 3.42Å; N89-F91 VanDerWaalsContact C-N 3.29Å; N89-F91 PolarHBondContact O-N 3Å; N89-V92 PolarHBondContact O-N 3.26Å; N89-V93 WeakPolarHBondContact O-CG2 3.43Å; N89-V93 PolarHBondContact O-N 3.02Å |
| 90 | N | 92.3 | Very high | 84.8 | Confident | 109 Ų | 109 | 83.1 Ų | 83.1 | 58% | 0.583 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60.3 | -41.5 | 175.6 | -69.4 | -7.5 | 0 | 0 | 0 | 111.4 | S86 S87 Y88 V93 A94 | S86-N90 VanDerWaalsContact O-CG 3.32Å; S86-N90 PolarHBondContact O-N 2.72Å; S86-N90 PolarHBondContact O-OD1 3.01Å; S87-N90 PolarHBondContact O-N 3.49Å; Y88-N90 PolarHBondContact O-N 3.37Å; N90-V93 PolarHBondContact O-N 2.92Å; N90-A94 WeakPolarHBondContact O-CB 3.29Å; N90-A94 PolarHBondContact O-N 3.2Å |
| 91 | F | 89.6 | Confident | 86.3 | Confident | 61 Ų | 61 | 83.6 Ų | 83.6 | 27% | 0.268 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 174.9 | 176.2 | -99.4 | 0 | 0 | 0 | 112.2 | F74 S87 Y88 N89 V93 A94 M95 F114 | F74-F91 AromaticContact CE2-CD1 3.73Å; F74-F91 HydrophobicContact CE2-CD1 3.73Å; F74-F91 AromaticContact CE2-CE1 3.6Å; F74-F91 HydrophobicContact CE2-CE1 3.6Å; F74-F91 HydrophobicContact CE2-CG 4.47Å; F74-F91 HydrophobicContact CE2-CZ 4.25Å; F74-F91 AromaticContact CZ-CD1 3.86Å; F74-F91 HydrophobicContact CZ-CD1 3.86Å; F74-F91 HydrophobicContact CZ-CE1 4.19Å; F74-F91 HydrophobicContact CZ-CG 4.25Å; S87-F91 PolarHBondContact O-N 3.22Å; Y88-F91 WeakPolarHBondContact O-CB 2.88Å; Y88-F91 PolarHBondContact O-N 2.64Å; N89-F91 VanDerWaalsContact C-N 3.29Å; N89-F91 PolarHBondContact O-N 3Å; F91-V93 VanDerWaalsContact C-N 3.34Å; F91-V93 PolarHBondContact O-N 3.12Å; F91-A94 PolarHBondContact O-N 2.74Å; F91-M95 HydrophobicContact CD1-CG 4.18Å; F91-M95 HydrophobicContact CD2-CG 4.38Å; F91-M95 HydrophobicContact CE1-CG 3.69Å; F91-M95 HydrophobicContact CE2-CG 3.93Å; F91-M95 HydrophobicContact CE2-SD 4.06Å; F91-M95 HydrophobicContact CZ-CG 3.56Å; F91-M95 HydrophobicContact CZ-SD 3.83Å; F91-M95 WeakPolarHBondContact O-CG 3.4Å; F91-M95 PolarHBondContact O-N 3.44Å; F91-F114 HydrophobicContact CZ-CD1 4.28Å; F91-F114 HydrophobicContact CZ-CG 4.33Å |
| 92 | V | 89.8 | Confident | 88 | Confident | 49 Ų | 49 | 86.4 Ų | 86.4 | 30% | 0.297 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 177.5 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | Y88 N89 M95 N96 | Y88-V92 HydrophobicContact CD1-CG2 4.24Å; Y88-V92 HydrophobicContact CD2-CG2 4.5Å; Y88-V92 HydrophobicContact CE1-CG2 3.79Å; Y88-V92 HydrophobicContact CE2-CG2 4.06Å; Y88-V92 WeakPolarHBondContact O-CG2 3.44Å; Y88-V92 PolarHBondContact O-N 3.4Å; N89-V92 PolarHBondContact O-N 3.26Å; V92-M95 PolarHBondContact O-N 2.81Å; V92-N96 PolarHBondContact O-N 3.3Å; V92-N96 PolarHBondContact O-ND2 2.79Å |
| 93 | V | 93.4 | Very high | 89.5 | Confident | 80 Ų | 80 | 82.9 Ų | 82.9 | 49% | 0.485 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62 | -46 | 175.5 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | N89 N90 F91 M95 N96 N97 | N89-V93 WeakPolarHBondContact O-CG2 3.43Å; N89-V93 PolarHBondContact O-N 3.02Å; N90-V93 PolarHBondContact O-N 2.92Å; F91-V93 VanDerWaalsContact C-N 3.34Å; F91-V93 PolarHBondContact O-N 3.12Å; V93-M95 VanDerWaalsContact C-N 3.34Å; V93-M95 PolarHBondContact O-N 2.73Å; V93-N96 PolarHBondContact O-N 3.18Å; V93-N97 VanDerWaalsContact O-CG 3.22Å; V93-N97 PolarHBondContact O-N 3.26Å; V93-N97 PolarHBondContact O-OD1 3.19Å |
| 94 | A | 93.4 | Very high | 90.4 | Very high | 54 Ų | 54 | 81.4 Ų | 81.4 | 45% | 0.446 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | N90 F91 N97 L98 | N90-A94 WeakPolarHBondContact O-CB 3.29Å; N90-A94 PolarHBondContact O-N 3.2Å; F91-A94 PolarHBondContact O-N 2.74Å; A94-N97 PolarHBondContact O-N 2.86Å; A94-L98 PolarHBondContact O-N 2.66Å |
| 95 | M | 90.9 | Very high | 90.6 | Very high | 25 Ų | 25 | 84.7 Ų | 84.7 | 12% | 0.123 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -65.1 | -38.5 | 176.9 | -70.2 | -61.5 | -69.6 | 0 | 0 | 112.7 | F91 V92 V93 L98 A99 F110 I111 F114 | F91-M95 HydrophobicContact CD1-CG 4.18Å; F91-M95 HydrophobicContact CD2-CG 4.38Å; F91-M95 HydrophobicContact CE1-CG 3.69Å; F91-M95 HydrophobicContact CE2-CG 3.93Å; F91-M95 HydrophobicContact CE2-SD 4.06Å; F91-M95 HydrophobicContact CZ-CG 3.56Å; F91-M95 HydrophobicContact CZ-SD 3.83Å; F91-M95 WeakPolarHBondContact O-CG 3.4Å; F91-M95 PolarHBondContact O-N 3.44Å; V92-M95 PolarHBondContact O-N 2.81Å; V93-M95 VanDerWaalsContact C-N 3.34Å; V93-M95 PolarHBondContact O-N 2.73Å; M95-L98 PolarHBondContact O-N 3.47Å; M95-A99 WeakPolarHBondContact O-CB 3.46Å; M95-A99 PolarHBondContact O-N 3.06Å; M95-F110 HydrophobicContact CE-CE1 4.38Å; M95-F110 HydrophobicContact SD-CE1 4.18Å; M95-I111 HydrophobicContact CE-CB 4.46Å; M95-I111 HydrophobicContact CE-CG1 4.37Å; M95-F114 HydrophobicContact CE-CB 4.27Å; M95-F114 HydrophobicContact CE-CD2 3.91Å; M95-F114 HydrophobicContact CE-CG 4.42Å |
| 96 | N | 91.3 | Very high | 90.8 | Very high | 85 Ų | 85 | 89 Ų | 89 | 46% | 0.455 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.8 | -39.9 | 175.4 | -74.9 | -26.4 | 0 | 0 | 0 | 111.8 | V92 V93 A99 S100 | V92-N96 PolarHBondContact O-N 3.3Å; V92-N96 PolarHBondContact O-ND2 2.79Å; V93-N96 PolarHBondContact O-N 3.18Å; N96-A99 PolarHBondContact O-N 2.72Å; N96-S100 PolarHBondContact O-N 2.85Å |
| 97 | N | 92.5 | Very high | 90.7 | Very high | 90 Ų | 90 | 90.5 Ų | 90.5 | 48% | 0.481 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 174.5 | -68.3 | -12.5 | 0 | 0 | 0 | 111 | V93 A94 A99 S100 H101 | V93-N97 VanDerWaalsContact O-CG 3.22Å; V93-N97 PolarHBondContact O-N 3.26Å; V93-N97 PolarHBondContact O-OD1 3.19Å; A94-N97 PolarHBondContact O-N 2.86Å; N97-A99 VanDerWaalsContact C-N 3.28Å; N97-A99 PolarHBondContact O-N 2.98Å; N97-S100 PolarHBondContact O-N 3.24Å; N97-S100 PolarHBondContact O-OG 3.47Å; N97-H101 PolarHBondContact O-N 2.89Å |
| 98 | L | 91.2 | Very high | 90.7 | Very high | 60 Ų | 60 | 94 Ų | 94 | 31% | 0.314 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.4 | -41 | 175.8 | -166.3 | 78.4 | 0 | 0 | 0 | 111.9 | A94 M95 S100 H101 F110 I111 | A94-L98 PolarHBondContact O-N 2.66Å; M95-L98 PolarHBondContact O-N 3.47Å; L98-S100 VanDerWaalsContact C-N 3.3Å; L98-S100 PolarHBondContact O-N 2.86Å; L98-H101 PolarHBondContact O-N 3.09Å; L98-F110 HydrophobicContact CD2-CD1 4.23Å; L98-I111 HydrophobicContact CD2-CD1 4.08Å; L98-I111 HydrophobicContact CD2-CG1 3.8Å; L98-I111 HydrophobicContact CG-CD1 4.32Å |
| 99 | A | 91.5 | Very high | 90.9 | Very high | 34 Ų | 34 | 94.4 Ų | 94.4 | 28% | 0.281 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.8 | -24.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | M95 N96 N97 H101 I111 | M95-A99 WeakPolarHBondContact O-CB 3.46Å; M95-A99 PolarHBondContact O-N 3.06Å; N96-A99 PolarHBondContact O-N 2.72Å; N97-A99 VanDerWaalsContact C-N 3.28Å; N97-A99 PolarHBondContact O-N 2.98Å; A99-H101 VanDerWaalsContact C-N 3.34Å; A99-I111 HydrophobicContact CB-CD1 4.32Å |
| 100 | S | 91.8 | Very high | 90.8 | Very high | 87 Ų | 87 | 94.6 Ų | 94.6 | 61% | 0.608 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -81 | -11 | 179.4 | 72.5 | 0 | 0 | 0 | 0 | 114.2 | N96 N97 L98 | N96-S100 PolarHBondContact O-N 2.85Å; N97-S100 PolarHBondContact O-N 3.24Å; N97-S100 PolarHBondContact O-OG 3.47Å; L98-S100 VanDerWaalsContact C-N 3.3Å; L98-S100 PolarHBondContact O-N 2.86Å |
| 101 | H | 90.5 | Very high | 90.6 | Very high | 115 Ų | 115 | 89.8 Ų | 89.8 | 53% | 0.532 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -72.8 | 145 | -179.1 | -79.5 | -42.6 | 0 | 0 | 0 | 113 | N97 L98 A99 Y103 S104 | N97-H101 PolarHBondContact O-N 2.89Å; L98-H101 PolarHBondContact O-N 3.09Å; A99-H101 VanDerWaalsContact C-N 3.34Å; H101-Y103 PolarHBondContact O-N 3.33Å; H101-Y103 VanDerWaalsContact O-N 3.13Å; H101-S104 WeakPolarHBondContact O-CB 3.34Å; H101-S104 PolarHBondContact O-N 3.5Å |
| 102 | P | 93.8 | Very high | 90.4 | Very high | 118 Ų | 118 | 91.7 Ų | 91.7 | 77% | 0.766 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -25.7 | -177.9 | 22.1 | -32.3 | 0 | 0 | 0 | 113.8 | ||
| 103 | Y | 90.2 | Very high | 90.2 | Very high | 177 Ų | 177 | 96.1 Ų | 96.1 | 69% | 0.694 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | 14.2 | 177 | -61.9 | -65.3 | 0 | 0 | 0 | 114.2 | H101 F105 R106 | H101-Y103 PolarHBondContact O-N 3.33Å; H101-Y103 VanDerWaalsContact O-N 3.13Å; Y103-F105 PolarHBondContact O-N 3.19Å; Y103-R106 PolarHBondContact O-N 3.4Å; Y103-R106 VanDerWaalsContact O-N 3.17Å |
| 104 | S | 89.2 | Confident | 89.7 | Confident | 28 Ų | 28 | 95.5 Ų | 95.5 | 20% | 0.196 | 47% | 0.471 | C | S | . | . | G | 310 helix | trans | -50.6 | -30.2 | -179.1 | 165.2 | 0 | 0 | 0 | 0 | 113.9 | H101 R106 E107 R108 I111 | H101-S104 WeakPolarHBondContact O-CB 3.34Å; H101-S104 PolarHBondContact O-N 3.5Å; S104-R106 PolarHBondContact O-N 2.93Å; S104-R106 VanDerWaalsContact O-N 3.16Å; S104-E107 CarbonylContact O-C 3.55Å; S104-E107 PolarHBondContact O-N 3.11Å; S104-R108 PolarHBondContact O-N 3.1Å; S104-I111 WeakPolarHBondContact OG-CD1 3.37Å |
| 105 | F | 89.7 | Confident | 89.1 | Confident | 159 Ų | 159 | 99.3 Ų | 99.3 | 70% | 0.697 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -56.1 | -31.4 | -179.3 | 180 | -96.6 | 0 | 0 | 0 | 114.1 | Y103 E107 R108 | Y103-F105 PolarHBondContact O-N 3.19Å; F105-E107 VanDerWaalsContact C-N 3.34Å; F105-R108 VanDerWaalsContact O-CB 3.22Å; F105-R108 WeakPolarHBondContact O-CB 3.48Å; F105-R108 PolarHBondContact O-N 2.89Å |
| 106 | R | 91.5 | Very high | 88.5 | Confident | 204 Ų | 204 | 103.3 Ų | 103.3 | 77% | 0.77 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -67.8 | -34.8 | 178.1 | -71.8 | -173.2 | 174.4 | 150.5 | -1 | 112.8 | Y103 S104 | Y103-R106 PolarHBondContact O-N 3.4Å; Y103-R106 VanDerWaalsContact O-N 3.17Å; S104-R106 PolarHBondContact O-N 2.93Å; S104-R106 VanDerWaalsContact O-N 3.16Å |
| 107 | E | 88.3 | Confident | 87.7 | Confident | 107 Ų | 107 | 104.9 Ų | 104.9 | 50% | 0.5 | 52% | 0.517 | S | S | . | . | G | 310 helix | trans | -99.3 | 17.5 | 179.4 | -62.5 | -60.6 | 156.2 | 0 | 0 | 112.1 | S104 F105 D109 F110 I111 | S104-E107 CarbonylContact O-C 3.55Å; S104-E107 PolarHBondContact O-N 3.11Å; F105-E107 VanDerWaalsContact C-N 3.34Å; E107-D109 VanDerWaalsContact C-N 3.29Å; E107-D109 PolarHBondContact O-N 3.35Å; E107-F110 PolarHBondContact O-N 2.81Å; E107-I111 WeakPolarHBondContact O-CG1 3.5Å; E107-I111 PolarHBondContact O-N 2.7Å |
| 108 | R | 88 | Confident | 86.4 | Confident | 138 Ų | 138 | 107.7 Ų | 107.7 | 52% | 0.521 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -53.6 | -47.1 | -178.5 | 167.9 | -174.8 | 169.6 | 173.1 | -1 | 111.7 | S104 F105 F110 I111 M112 | S104-R108 PolarHBondContact O-N 3.1Å; F105-R108 VanDerWaalsContact O-CB 3.22Å; F105-R108 WeakPolarHBondContact O-CB 3.48Å; F105-R108 PolarHBondContact O-N 2.89Å; R108-F110 VanDerWaalsContact C-N 3.31Å; R108-F110 PolarHBondContact O-N 3.13Å; R108-I111 PolarHBondContact O-N 2.93Å; R108-M112 HydrophobicContact CG-CG 4.14Å; R108-M112 WeakPolarHBondContact O-CB 3.43Å; R108-M112 VanDerWaalsContact O-CG 3.25Å; R108-M112 WeakPolarHBondContact O-CG 3.48Å; R108-M112 PolarHBondContact O-N 3.22Å |
| 109 | D | 88.4 | Confident | 85.4 | Confident | 118 Ų | 118 | 109.4 Ų | 109.4 | 63% | 0.631 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.1 | -38.5 | -173.4 | -64.9 | -29 | 0 | 0 | 0 | 111.1 | E107 M112 Q113 | E107-D109 VanDerWaalsContact C-N 3.29Å; E107-D109 PolarHBondContact O-N 3.35Å; D109-M112 PolarHBondContact O-N 3.07Å; D109-Q113 WeakPolarHBondContact O-CG 3.32Å; D109-Q113 PolarHBondContact O-N 3.07Å |
| 110 | F | 88.8 | Confident | 83.7 | Confident | 88 Ų | 88 | 112.9 Ų | 112.9 | 39% | 0.386 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.6 | -46.9 | 172.1 | -178.4 | -100.6 | 0 | 0 | 0 | 111.5 | M95 L98 E107 R108 M112 Q113 F114 | M95-F110 HydrophobicContact CE-CE1 4.38Å; M95-F110 HydrophobicContact SD-CE1 4.18Å; L98-F110 HydrophobicContact CD2-CD1 4.23Å; E107-F110 PolarHBondContact O-N 2.81Å; R108-F110 VanDerWaalsContact C-N 3.31Å; R108-F110 PolarHBondContact O-N 3.13Å; F110-M112 VanDerWaalsContact C-N 3.29Å; F110-M112 PolarHBondContact O-N 3.42Å; F110-Q113 PolarHBondContact O-N 2.92Å; F110-F114 HydrophobicContact CD2-CE2 4.17Å; F110-F114 HydrophobicContact CE1-CE2 4.19Å; F110-F114 AromaticContact CE2-CE2 3.69Å; F110-F114 HydrophobicContact CE2-CE2 3.69Å; F110-F114 HydrophobicContact CE2-CZ 4.35Å; F110-F114 AromaticContact CZ-CE2 3.7Å; F110-F114 HydrophobicContact CZ-CE2 3.7Å; F110-F114 HydrophobicContact CZ-CZ 4.41Å; F110-F114 VanDerWaalsContact O-CD2 3.29Å; F110-F114 WeakPolarHBondContact O-CD2 3.44Å |
| 111 | I | 88.9 | Confident | 82.1 | Confident | 9 Ų | 9 | 114.1 Ų | 114.1 | 5% | 0.046 | 59% | 0.585 | C | S | . | * | H | α-helix | trans | -59.5 | -41.8 | 176.8 | -65.4 | 166.1 | 0 | 0 | 0 | 111.1 | M95 L98 A99 S104 E107 R108 F114 | M95-I111 HydrophobicContact CE-CB 4.46Å; M95-I111 HydrophobicContact CE-CG1 4.37Å; L98-I111 HydrophobicContact CD2-CD1 4.08Å; L98-I111 HydrophobicContact CD2-CG1 3.8Å; L98-I111 HydrophobicContact CG-CD1 4.32Å; A99-I111 HydrophobicContact CB-CD1 4.32Å; S104-I111 WeakPolarHBondContact OG-CD1 3.37Å; E107-I111 WeakPolarHBondContact O-CG1 3.5Å; E107-I111 PolarHBondContact O-N 2.7Å; R108-I111 PolarHBondContact O-N 2.93Å; I111-F114 PolarHBondContact O-N 3.37Å |
| 112 | M | 85.2 | Confident | 80.5 | Confident | 100 Ų | 100 | 112.4 Ų | 112.4 | 49% | 0.493 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -74.5 | -25.5 | -175 | -69.4 | -60.7 | -71 | 0 | 0 | 113.8 | R108 D109 F110 F114 R115 | R108-M112 HydrophobicContact CG-CG 4.14Å; R108-M112 WeakPolarHBondContact O-CB 3.43Å; R108-M112 VanDerWaalsContact O-CG 3.25Å; R108-M112 WeakPolarHBondContact O-CG 3.48Å; R108-M112 PolarHBondContact O-N 3.22Å; D109-M112 PolarHBondContact O-N 3.07Å; F110-M112 VanDerWaalsContact C-N 3.29Å; F110-M112 PolarHBondContact O-N 3.42Å; M112-F114 PolarHBondContact O-N 3.2Å; M112-R115 PolarHBondContact O-N 3.5Å; M112-R115 VanDerWaalsContact O-N 3.12Å; M112-R115 HydrophobicContact SD-CB 4.44Å |
| 113 | Q | 86.7 | Confident | 78.7 | Confident | 142 Ų | 142 | 115.7 Ų | 115.7 | 66% | 0.664 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -57.6 | -33.4 | 173.2 | -75.7 | 169.5 | 22.6 | 0 | 0 | 112.7 | D109 F110 | D109-Q113 WeakPolarHBondContact O-CG 3.32Å; D109-Q113 PolarHBondContact O-N 3.07Å; F110-Q113 PolarHBondContact O-N 2.92Å |
| 114 | F | 81.9 | Confident | 76.5 | Confident | 67 Ų | 67 | 110.3 Ų | 110.3 | 29% | 0.294 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.5 | -3 | -179.6 | -60.5 | -78.2 | 0 | 0 | 0 | 113.5 | F91 M95 F110 I111 M112 | F91-F114 HydrophobicContact CZ-CD1 4.28Å; F91-F114 HydrophobicContact CZ-CG 4.33Å; M95-F114 HydrophobicContact CE-CB 4.27Å; M95-F114 HydrophobicContact CE-CD2 3.91Å; M95-F114 HydrophobicContact CE-CG 4.42Å; F110-F114 HydrophobicContact CD2-CE2 4.17Å; F110-F114 HydrophobicContact CE1-CE2 4.19Å; F110-F114 AromaticContact CE2-CE2 3.69Å; F110-F114 HydrophobicContact CE2-CE2 3.69Å; F110-F114 HydrophobicContact CE2-CZ 4.35Å; F110-F114 AromaticContact CZ-CE2 3.7Å; F110-F114 HydrophobicContact CZ-CE2 3.7Å; F110-F114 HydrophobicContact CZ-CZ 4.41Å; F110-F114 VanDerWaalsContact O-CD2 3.29Å; F110-F114 WeakPolarHBondContact O-CD2 3.44Å; I111-F114 PolarHBondContact O-N 3.37Å; M112-F114 PolarHBondContact O-N 3.2Å |
| 115 | R | 80.2 | Confident | 74.6 | Confident | 135 Ų | 135 | 112.9 Ų | 112.9 | 51% | 0.509 | 61% | 0.611 | S | S | . | * | trans | -96.1 | 129.2 | 176.4 | -71.9 | -169 | 171.5 | -169.6 | -1.2 | 110.6 | M112 | M112-R115 PolarHBondContact O-N 3.5Å; M112-R115 VanDerWaalsContact O-N 3.12Å; M112-R115 HydrophobicContact SD-CB 4.44Å | ||
| 116 | V | 79 | Confident | 72.8 | Confident | 109 Ų | 109 | 110 Ų | 110 | 66% | 0.661 | 61% | 0.611 | S | S | * | * | trans | -87.6 | 124.9 | 167.5 | -179 | 0 | 0 | 0 | 0 | 107.3 | L118 | V116-L118 PolarHBondContact O-N 3.43Š| ||
| 117 | S | 73.4 | Confident | 70.9 | Confident | 117 Ų | 117 | 107.6 Ų | 107.6 | 82% | 0.818 | 61% | 0.614 | S | S | * | * | trans | -63.2 | 102.6 | 168.1 | -167 | 0 | 0 | 0 | 0 | 107.6 | A119 | S117-A119 PolarHBondContact O-N 2.76Å; S117-A119 VanDerWaalsContact O-N 3.16Å | ||
| 118 | L | 66.2 | Low | 69.5 | Low | 150 Ų | 150 | 107.5 Ų | 107.5 | 79% | 0.785 | 62% | 0.62 | S | S | * | * | trans | -68.5 | 113.5 | 171.1 | -69.7 | 172.8 | 0 | 0 | 0 | 105.6 | V116 S120 | V116-L118 PolarHBondContact O-N 3.43Å; L118-S120 PolarHBondContact O-N 3.42Å | ||
| 119 | A | 70.3 | Confident | 68 | Low | 96 Ų | 96 | 106.4 Ų | 106.4 | 79% | 0.793 | 63% | 0.629 | S | S | * | * | trans | -61.4 | 96.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | S117 S121 | S117-A119 PolarHBondContact O-N 2.76Å; S117-A119 VanDerWaalsContact O-N 3.16Å; A119-S121 PolarHBondContact O-N 2.81Å | ||
| 120 | S | 55.1 | Low | 66.6 | Low | 107 Ų | 107 | 106.1 Ų | 106.1 | 75% | 0.748 | 63% | 0.626 | S | S | * | * | trans | -66.8 | 91.3 | 162.8 | 57.4 | 0 | 0 | 0 | 0 | 104.8 | L118 S122 | L118-S120 PolarHBondContact O-N 3.42Å; S120-S122 PolarHBondContact O-N 3.18Å | ||
| 121 | S | 59.5 | Low | 65.1 | Low | 112 Ų | 112 | 106.4 Ų | 106.4 | 78% | 0.783 | 64% | 0.637 | S | S | * | * | trans | -57.8 | 91.1 | 146.8 | 52.3 | 0 | 0 | 0 | 0 | 103.8 | A119 | A119-S121 PolarHBondContact O-N 2.81Š| ||
| 122 | S | 56.1 | Low | 63.9 | Low | 80 Ų | 80 | 115.2 Ų | 115.2 | 56% | 0.559 | 68% | 0.678 | S | S | * | * | trans | -46 | 158.2 | 149.7 | 42 | 0 | 0 | 0 | 0 | 105.4 | S120 A124 | S120-S122 PolarHBondContact O-N 3.18Å; S122-A124 PolarHBondContact O-N 3.43Å; S122-A124 WeakPolarHBondContact OG-CB 3.13Å | ||
| 123 | L | 55.1 | Low | 62.8 | Low | 186 Ų | 186 | 113.1 Ų | 113.1 | 97% | 0.974 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -64 | 43.5 | 159.4 | -72.6 | 143.8 | 0 | 0 | 0 | 109.4 | A125 | L123-A125 PolarHBondContact O-N 3.5Š|
| 124 | A | 45.5 | Very low | 61.4 | Low | 65 Ų | 65 | 109.6 Ų | 109.6 | 54% | 0.537 | 66% | 0.662 | S | S | . | * | trans | -44.4 | 93.5 | 157.6 | 0 | 0 | 0 | 0 | 0 | 104.8 | S122 S126 | S122-A124 PolarHBondContact O-N 3.43Å; S122-A124 WeakPolarHBondContact OG-CB 3.13Å; A124-S126 PolarHBondContact O-N 3.18Å | ||
| 125 | A | 49.3 | Very low | 60.3 | Low | 81 Ų | 81 | 111 Ų | 111 | 67% | 0.669 | 69% | 0.686 | S | S | * | * | 35.8 | 60.9 | 122.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | L123 D127 | L123-A125 PolarHBondContact O-N 3.5Å; A125-D127 PolarHBondContact O-N 3.15Å | |||
| 126 | S | 51.3 | Low | 59.1 | Low | 100 Ų | 100 | 109 Ų | 109 | 70% | 0.699 | 70% | 0.698 | S | S | * | * | trans | -53.6 | 107.4 | 156.9 | 49.9 | 0 | 0 | 0 | 0 | 102.3 | A124 V128 | A124-S126 PolarHBondContact O-N 3.18Å; S126-V128 VanDerWaalsContact C-N 3.25Å; S126-V128 WeakPolarHBondContact O-CA 3.29Å; S126-V128 WeakPolarHBondContact O-CG2 3.35Å; S126-V128 PolarHBondContact O-N 3.29Å | ||
| 127 | D | 51.5 | Low | 57.9 | Low | 152 Ų | 152 | 111.4 Ų | 111.4 | 81% | 0.813 | 70% | 0.702 | S | S | * | * | trans | -21.4 | 90.3 | -172.8 | -97.2 | -34.7 | 0 | 0 | 0 | 110 | A125 T129 | A125-D127 PolarHBondContact O-N 3.15Å; D127-T129 PolarHBondContact O-N 3.47Å | ||
| 128 | V | 58.7 | Low | 56.8 | Low | 105 Ų | 105 | 111.3 Ų | 111.3 | 64% | 0.636 | 69% | 0.692 | S | S | * | * | trans | -79.2 | 86.9 | 174.3 | 177.6 | 0 | 0 | 0 | 0 | 100.5 | S126 I130 | S126-V128 VanDerWaalsContact C-N 3.25Å; S126-V128 WeakPolarHBondContact O-CA 3.29Å; S126-V128 WeakPolarHBondContact O-CG2 3.35Å; S126-V128 PolarHBondContact O-N 3.29Å; V128-I130 HydrophobicContact CG1-CG1 4.21Å; V128-I130 PolarHBondContact O-N 3.34Å | ||
| 129 | T | 56.3 | Low | 56 | Low | 116 Ų | 116 | 114.5 Ų | 114.5 | 71% | 0.712 | 69% | 0.694 | S | S | * | * | trans | -61.3 | 93.3 | 166.7 | 53.5 | 0 | 0 | 0 | 0 | 104.6 | D127 P131 | D127-T129 PolarHBondContact O-N 3.47Å; T129-P131 WeakPolarHBondContact O-CD 3.26Å; T129-P131 VanDerWaalsContact O-N 3.1Å | ||
| 130 | I | 59.1 | Low | 54.8 | Low | 112 Ų | 112 | 116.9 Ų | 116.9 | 57% | 0.574 | 70% | 0.698 | S | S | * | * | trans | -62.1 | 110.6 | 171.5 | -64.7 | 176.7 | 0 | 0 | 0 | 104.5 | V128 E132 L152 | V128-I130 HydrophobicContact CG1-CG1 4.21Å; V128-I130 PolarHBondContact O-N 3.34Å; I130-E132 PolarHBondContact O-N 2.86Å; I130-L152 HydrophobicContact CB-CD2 3.98Å; I130-L152 HydrophobicContact CD1-CD2 4.03Å; I130-L152 HydrophobicContact CG1-CD2 3.67Å; I130-L152 HydrophobicContact CG2-CD2 3.38Å | ||
| 131 | P | 58.7 | Low | 54.3 | Low | 94 Ų | 94 | 119.3 Ų | 119.3 | 61% | 0.61 | 70% | 0.697 | S | S | * | * | trans | -66.3 | 126.2 | 177 | 28.1 | -31.4 | 0 | 0 | 0 | 107.7 | T129 V133 | T129-P131 WeakPolarHBondContact O-CD 3.26Å; T129-P131 VanDerWaalsContact O-N 3.1Å; P131-V133 PolarHBondContact O-N 3.5Å | ||
| 132 | E | 62.3 | Low | 54.2 | Low | 194 Ų | 194 | 117.9 Ų | 117.9 | 91% | 0.907 | 69% | 0.687 | S | S | * | * | trans | -66.3 | 100.2 | 168.5 | -73.7 | -174.9 | 169.2 | 0 | 0 | 108.3 | I130 S134 | I130-E132 PolarHBondContact O-N 2.86Å; E132-S134 PolarHBondContact O-N 3.06Å | ||
| 133 | V | 61.9 | Low | 54.3 | Low | 56 Ų | 56 | 122.5 Ų | 122.5 | 34% | 0.339 | 70% | 0.697 | S | S | . | * | trans | -76.6 | 105.7 | 177.2 | -177 | 0 | 0 | 0 | 0 | 108.7 | P131 | P131-V133 PolarHBondContact O-N 3.5Š| ||
| 134 | S | 58.2 | Low | 54.5 | Low | 68 Ų | 68 | 118.9 Ų | 118.9 | 48% | 0.476 | 68% | 0.683 | S | S | . | * | trans | -66.7 | 135.2 | 160.3 | 87.7 | 0 | 0 | 0 | 0 | 108.1 | E132 A136 E137 | E132-S134 PolarHBondContact O-N 3.06Å; S134-A136 PolarHBondContact O-N 3.1Å; S134-E137 PolarHBondContact O-N 2.89Å | ||
| 135 | A | 57.7 | Low | 55.1 | Low | 97 Ų | 97 | 117.8 Ų | 117.8 | 80% | 0.802 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -4.5 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 136 | A | 55 | Low | 55.5 | Low | 93 Ų | 93 | 116.1 Ų | 116.1 | 77% | 0.769 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -10.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | S134 | S134-A136 PolarHBondContact O-N 3.1Š|
| 137 | E | 54.5 | Low | 56 | Low | 158 Ų | 158 | 115 Ų | 115 | 74% | 0.738 | 64% | 0.642 | S | S | * | * | trans | -109.4 | 20 | -169.5 | -95.9 | 166 | 167.1 | 0 | 0 | 115.9 | S134 R139 | S134-E137 PolarHBondContact O-N 2.89Å; E137-R139 PolarHBondContact O-N 3.01Å | ||
| 138 | L | 51.5 | Low | 56.5 | Low | 115 Ų | 115 | 110.3 Ų | 110.3 | 60% | 0.602 | 63% | 0.625 | S | S | * | * | trans | -74.2 | 61.4 | 172.5 | -107.6 | 132.8 | 0 | 0 | 0 | 112.1 | C146 | L138-C146 HydrophobicContact CD2-CB 4.4Å; L138-C146 VanDerWaalsContact CD2-SG 3.54Å | ||
| 139 | R | 48.7 | Very low | 56.6 | Low | 218 Ų | 218 | 107.1 Ų | 107.1 | 82% | 0.823 | 61% | 0.609 | S | S | * | * | trans | -97.4 | 98.1 | 166.9 | -80 | -177.3 | 177.2 | 160.7 | 0.3 | 109.4 | E137 H141 | E137-R139 PolarHBondContact O-N 3.01Å; R139-H141 PolarHBondContact O-N 3Å | ||
| 140 | V | 44.5 | Very low | 56.7 | Low | 145 Ų | 145 | 107.8 Ų | 107.8 | 88% | 0.879 | 61% | 0.606 | S | S | * | * | trans | 40.1 | 55.1 | 151.9 | -79.2 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 141 | H | 45.8 | Very low | 56.6 | Low | 158 Ų | 158 | 107.3 Ų | 107.3 | 73% | 0.731 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -89.6 | 136.3 | 145.2 | -84 | -91.6 | 0 | 0 | 0 | 107.1 | R139 A145 | R139-H141 PolarHBondContact O-N 3Å; H141-A145 HydrophobicContact CB-CB 4.03Å |
| 142 | S | 57.1 | Low | 56.7 | Low | 83 Ų | 83 | 106.4 Ų | 106.4 | 58% | 0.58 | 59% | 0.587 | S | S | * | * | trans | -27.4 | 148.2 | -169.4 | 60 | 0 | 0 | 0 | 0 | 116 | V144 A145 C146 | S142-V144 CarbonylContact O-C 3.52Å; S142-V144 PolarHBondContact O-N 3.22Å; S142-A145 WeakPolarHBondContact O-CA 3.21Å; S142-A145 WeakPolarHBondContact O-CB 3.18Å; S142-A145 PolarHBondContact O-N 2.65Å; S142-C146 PolarHBondContact O-N 2.64Å | ||
| 143 | F | 57.7 | Low | 56.3 | Low | 177 Ų | 177 | 104.8 Ų | 104.8 | 78% | 0.776 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -43.8 | -32.3 | 180 | -139.5 | -94.5 | 0 | 0 | 0 | 114.1 | C146 L147 | F143-C146 PolarHBondContact O-N 3.32Å; F143-L147 HydrophobicContact CD1-CD1 4.07Å; F143-L147 HydrophobicContact CE1-CD1 4.48Å; F143-L147 PolarHBondContact O-N 3.1Å |
| 144 | V | 59.8 | Low | 56 | Low | 109 Ų | 109 | 107.9 Ų | 107.9 | 66% | 0.661 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.5 | -40.1 | 176.1 | -171.5 | 0 | 0 | 0 | 0 | 113 | S142 A148 | S142-V144 CarbonylContact O-C 3.52Å; S142-V144 PolarHBondContact O-N 3.22Å; V144-A148 WeakPolarHBondContact O-CB 3.4Å; V144-A148 PolarHBondContact O-N 3.31Å |
| 145 | A | 57.7 | Low | 55.9 | Low | 43 Ų | 43 | 108.1 Ų | 108.1 | 36% | 0.355 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68.6 | -36.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | H141 S142 A148 A149 | H141-A145 HydrophobicContact CB-CB 4.03Å; S142-A145 WeakPolarHBondContact O-CA 3.21Å; S142-A145 WeakPolarHBondContact O-CB 3.18Å; S142-A145 PolarHBondContact O-N 2.65Å; A145-A148 PolarHBondContact O-N 3.06Å; A145-A149 WeakPolarHBondContact O-CB 3.2Å; A145-A149 PolarHBondContact O-N 3.26Å |
| 146 | C | 57.6 | Low | 55.8 | Low | 46 Ų | 46 | 108.8 Ų | 108.8 | 31% | 0.311 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.2 | -47.4 | 175.1 | -173.6 | 0 | 0 | 0 | 0 | 111.9 | L138 S142 F143 A148 A149 M150 | L138-C146 HydrophobicContact CD2-CB 4.4Å; L138-C146 VanDerWaalsContact CD2-SG 3.54Å; S142-C146 PolarHBondContact O-N 2.64Å; F143-C146 PolarHBondContact O-N 3.32Å; C146-A148 PolarHBondContact O-N 3.16Å; C146-A149 PolarHBondContact O-N 3.18Å; C146-M150 PolarHBondContact O-N 2.9Å |
| 147 | L | 61.9 | Low | 55.8 | Low | 76 Ų | 76 | 106.6 Ų | 106.6 | 40% | 0.398 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.1 | -45.6 | 174.3 | -86.4 | 160.4 | 0 | 0 | 0 | 111.7 | F143 A149 M150 Y151 | F143-L147 HydrophobicContact CD1-CD1 4.07Å; F143-L147 HydrophobicContact CE1-CD1 4.48Å; F143-L147 PolarHBondContact O-N 3.1Å; L147-A149 VanDerWaalsContact C-N 3.29Å; L147-A149 PolarHBondContact O-N 3.22Å; L147-M150 PolarHBondContact O-N 2.9Å; L147-Y151 HydrophobicContact CD2-CE2 3.77Å; L147-Y151 WeakPolarHBondContact O-CD2 3.14Å; L147-Y151 PolarHBondContact O-N 2.74Å; L147-Y151 VanDerWaalsContact O-N 3.1Å |
| 148 | A | 62.7 | Low | 55.9 | Low | 54 Ų | 54 | 106.9 Ų | 106.9 | 45% | 0.446 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -59.9 | -37.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V144 A145 C146 L152 | V144-A148 WeakPolarHBondContact O-CB 3.4Å; V144-A148 PolarHBondContact O-N 3.31Å; A145-A148 PolarHBondContact O-N 3.06Å; C146-A148 PolarHBondContact O-N 3.16Å; A148-L152 WeakPolarHBondContact O-CD1 3.36Å; A148-L152 PolarHBondContact O-N 3.49Å |
| 149 | A | 59.3 | Low | 56.2 | Low | 37 Ų | 37 | 109 Ų | 109 | 31% | 0.306 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -71.2 | -37.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | A145 C146 L147 L152 | A145-A149 WeakPolarHBondContact O-CB 3.2Å; A145-A149 PolarHBondContact O-N 3.26Å; C146-A149 PolarHBondContact O-N 3.18Å; L147-A149 VanDerWaalsContact C-N 3.29Å; L147-A149 PolarHBondContact O-N 3.22Å; A149-L152 PolarHBondContact O-N 3.43Å |
| 150 | M | 58.5 | Low | 56.9 | Low | 130 Ų | 130 | 104.8 Ų | 104.8 | 64% | 0.64 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.8 | -42.2 | 176.1 | -74.4 | -165.2 | 79.7 | 0 | 0 | 112.1 | C146 L147 | C146-M150 PolarHBondContact O-N 2.9Å; L147-M150 PolarHBondContact O-N 2.9Å |
| 151 | Y | 58 | Low | 57.8 | Low | 102 Ų | 102 | 99.7 Ų | 99.7 | 40% | 0.4 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.3 | -35.7 | 178.7 | -73.4 | -70.2 | 0 | 0 | 0 | 111.9 | L147 K153 Q154 I157 I161 | L147-Y151 HydrophobicContact CD2-CE2 3.77Å; L147-Y151 WeakPolarHBondContact O-CD2 3.14Å; L147-Y151 PolarHBondContact O-N 2.74Å; L147-Y151 VanDerWaalsContact O-N 3.1Å; Y151-K153 VanDerWaalsContact C-N 3.25Å; Y151-K153 PolarHBondContact O-N 3.42Å; Y151-Q154 PolarHBondContact O-N 3.42Å; Y151-I157 WeakPolarHBondContact O-CD1 3.46Å; Y151-I161 HydrophobicContact CD1-CD1 4.12Å |
| 152 | L | 59.4 | Low | 59 | Low | 76 Ų | 76 | 96.6 Ų | 96.6 | 40% | 0.398 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.1 | -28.5 | 179.1 | -113.5 | 94.6 | 0 | 0 | 0 | 114.8 | I130 A148 A149 Q154 I157 | I130-L152 HydrophobicContact CB-CD2 3.98Å; I130-L152 HydrophobicContact CD1-CD2 4.03Å; I130-L152 HydrophobicContact CG1-CD2 3.67Å; I130-L152 HydrophobicContact CG2-CD2 3.38Å; A148-L152 WeakPolarHBondContact O-CD1 3.36Å; A148-L152 PolarHBondContact O-N 3.49Å; A149-L152 PolarHBondContact O-N 3.43Å; L152-Q154 VanDerWaalsContact C-N 3.27Å; L152-Q154 PolarHBondContact O-N 2.87Å; L152-I157 HydrophobicContact CG-CD1 4.48Å |
| 153 | K | 54 | Low | 59.7 | Low | 159 Ų | 159 | 99.9 Ų | 99.9 | 69% | 0.691 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -15.6 | 179.6 | -82.4 | -107 | -179.8 | -178.9 | 0 | 114.3 | Y151 | Y151-K153 VanDerWaalsContact C-N 3.25Å; Y151-K153 PolarHBondContact O-N 3.42Å |
| 154 | Q | 55.9 | Low | 60.8 | Low | 122 Ų | 122 | 94.4 Ų | 94.4 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | 1.1 | -169.4 | -75 | 171.9 | -13 | 0 | 0 | 115.5 | Y151 L152 I156 | Y151-Q154 PolarHBondContact O-N 3.42Å; L152-Q154 VanDerWaalsContact C-N 3.27Å; L152-Q154 PolarHBondContact O-N 2.87Å; Q154-I156 WeakPolarHBondContact O-CG1 3.43Å; Q154-I156 PolarHBondContact O-N 2.99Å |
| 155 | G | 56.4 | Low | 61.6 | Low | 73 Ų | 73 | 92.8 Ų | 92.8 | 75% | 0.753 | 49% | 0.49 | S | S | * | . | S | Bend | trans | 65.8 | -2.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 156 | I | 56 | Low | 62.7 | Low | 111 Ų | 111 | 93.8 Ų | 93.8 | 57% | 0.569 | 49% | 0.494 | S | S | * | . | trans | -94.8 | 23.5 | -175.2 | -59.9 | 155.1 | 0 | 0 | 0 | 113.2 | Q154 K158 L160 | Q154-I156 WeakPolarHBondContact O-CG1 3.43Å; Q154-I156 PolarHBondContact O-N 2.99Å; I156-K158 PolarHBondContact O-N 2.98Å; I156-L160 HydrophobicContact CG2-CB 4.48Å; I156-L160 HydrophobicContact CG2-CD1 4.35Å | ||
| 157 | I | 55.6 | Low | 63.9 | Low | 46 Ų | 46 | 95.3 Ų | 95.3 | 24% | 0.236 | 51% | 0.511 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 44.2 | -147.1 | -39.8 | 162.2 | 0 | 0 | 0 | 115.7 | Y151 L152 I161 | Y151-I157 WeakPolarHBondContact O-CD1 3.46Å; L152-I157 HydrophobicContact CG-CD1 4.48Å; I157-I161 HydrophobicContact CG1-CD1 4.41Å; I157-I161 HydrophobicContact CG2-CB 4.21Å; I157-I161 HydrophobicContact CG2-CD1 4.42Å; I157-I161 HydrophobicContact CG2-CG2 4.42Å |
| 158 | K | 57 | Low | 65.2 | Low | 164 Ų | 164 | 95 Ų | 95 | 71% | 0.713 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.4 | -51.9 | 164.2 | -71.5 | -175.1 | 179.6 | 175.7 | 0 | 112.2 | I156 L162 | I156-K158 PolarHBondContact O-N 2.98Å; K158-L162 WeakPolarHBondContact O-CB 3.33Å |
| 159 | E | 57.1 | Low | 66.2 | Low | 159 Ų | 159 | 94.1 Ų | 94.1 | 74% | 0.743 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -44.7 | -173.3 | -60.1 | -56 | 144.5 | 0 | 0 | 113.4 | ||
| 160 | L | 62.8 | Low | 67.4 | Low | 131 Ų | 131 | 98.3 Ų | 98.3 | 69% | 0.686 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -24.9 | -168.6 | -107.3 | 124.4 | 0 | 0 | 0 | 115.4 | I156 P164 | I156-L160 HydrophobicContact CG2-CB 4.48Å; I156-L160 HydrophobicContact CG2-CD1 4.35Å; L160-P164 WeakPolarHBondContact O-CG 3.18Å |
| 161 | I | 64.8 | Low | 68.4 | Low | 38 Ų | 38 | 96.8 Ų | 96.8 | 20% | 0.195 | 53% | 0.526 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | -42.6 | -173.8 | -60.1 | 173 | 0 | 0 | 0 | 110.1 | Y151 I157 F163 P164 F165 | Y151-I161 HydrophobicContact CD1-CD1 4.12Å; I157-I161 HydrophobicContact CG1-CD1 4.41Å; I157-I161 HydrophobicContact CG2-CB 4.21Å; I157-I161 HydrophobicContact CG2-CD1 4.42Å; I157-I161 HydrophobicContact CG2-CG2 4.42Å; I161-F163 PolarHBondContact O-N 3.36Å; I161-P164 WeakPolarHBondContact O-CD 3.3Å; I161-F165 HydrophobicContact CB-CD2 4.41Å; I161-F165 HydrophobicContact CB-CE2 4.45Å; I161-F165 HydrophobicContact CG2-CD2 3.59Å; I161-F165 HydrophobicContact CG2-CE2 3.61Å; I161-F165 HydrophobicContact CG2-CG 4.2Å; I161-F165 HydrophobicContact CG2-CZ 4.26Å; I161-F165 VanDerWaalsContact O-CB 3.26Å; I161-F165 WeakPolarHBondContact O-CB 3.35Å; I161-F165 WeakPolarHBondContact O-CD2 3.07Å; I161-F165 WeakPolarHBondContact O-CG 3.45Å; I161-F165 PolarHBondContact O-N 3.29Å |
| 162 | L | 69 | Low | 69.5 | Low | 92 Ų | 92 | 96.3 Ų | 96.3 | 48% | 0.482 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.5 | -44.8 | -174.9 | -160.1 | 75.5 | 0 | 0 | 0 | 111.7 | K158 S166 L171 | K158-L162 WeakPolarHBondContact O-CB 3.33Å; L162-S166 WeakPolarHBondContact O-CA 3.4Å; L162-S166 WeakPolarHBondContact O-CB 3.37Å; L162-S166 PolarHBondContact O-N 3.35Å; L162-L171 HydrophobicContact CD1-CD1 3.51Å; L162-L171 HydrophobicContact CG-CD1 4.09Å |
| 163 | F | 72.7 | Confident | 70.5 | Confident | 153 Ų | 153 | 100.5 Ų | 100.5 | 67% | 0.671 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.6 | -53.6 | -179.1 | -171.6 | -95.6 | 0 | 0 | 0 | 112.8 | I161 F165 S166 A167 | I161-F163 PolarHBondContact O-N 3.36Å; F163-F165 PolarHBondContact O-N 2.9Å; F163-S166 PolarHBondContact O-N 2.7Å; F163-A167 VanDerWaalsContact O-CB 3.28Å; F163-A167 WeakPolarHBondContact O-CB 3.49Å; F163-A167 PolarHBondContact O-N 3.16Å |
| 164 | P | 81 | Confident | 72.2 | Confident | 61 Ų | 61 | 97.2 Ų | 97.2 | 40% | 0.396 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.5 | -36.6 | 179 | 20.4 | -29.2 | 0 | 0 | 0 | 113.2 | L160 I161 A167 A168 | L160-P164 WeakPolarHBondContact O-CG 3.18Å; I161-P164 WeakPolarHBondContact O-CD 3.3Å; P164-A167 PolarHBondContact O-N 3.3Å; P164-A168 WeakPolarHBondContact O-CB 2.96Å; P164-A168 PolarHBondContact O-N 3.47Å |
| 165 | F | 76.1 | Confident | 73.8 | Confident | 75 Ų | 75 | 100.1 Ų | 100.1 | 33% | 0.329 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -74.7 | -31 | 178.8 | -75.2 | -111.2 | 0 | 0 | 0 | 112.4 | I161 F163 G169 L170 L171 | I161-F165 HydrophobicContact CB-CD2 4.41Å; I161-F165 HydrophobicContact CB-CE2 4.45Å; I161-F165 HydrophobicContact CG2-CD2 3.59Å; I161-F165 HydrophobicContact CG2-CE2 3.61Å; I161-F165 HydrophobicContact CG2-CG 4.2Å; I161-F165 HydrophobicContact CG2-CZ 4.26Å; I161-F165 VanDerWaalsContact O-CB 3.26Å; I161-F165 WeakPolarHBondContact O-CB 3.35Å; I161-F165 WeakPolarHBondContact O-CD2 3.07Å; I161-F165 WeakPolarHBondContact O-CG 3.45Å; I161-F165 PolarHBondContact O-N 3.29Å; F163-F165 PolarHBondContact O-N 2.9Å; F165-G169 PolarHBondContact O-N 2.72Å; F165-L170 HydrophobicContact CB-CB 4.48Å; F165-L170 HydrophobicContact CD1-CB 4.3Å; F165-L170 HydrophobicContact CD1-CD1 3.54Å; F165-L170 HydrophobicContact CE1-CD1 4.04Å; F165-L170 HydrophobicContact CG-CD1 4.27Å; F165-L170 PolarHBondContact O-N 3.33Å; F165-L171 HydrophobicContact CB-CD1 4.02Å; F165-L171 HydrophobicContact CB-CG 4.02Å |
| 166 | S | 80.8 | Confident | 75.4 | Confident | 64 Ų | 64 | 106.7 Ų | 106.7 | 45% | 0.448 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.5 | -47.6 | 170 | -174.6 | 0 | 0 | 0 | 0 | 110.8 | L162 F163 A168 G169 | L162-S166 WeakPolarHBondContact O-CA 3.4Å; L162-S166 WeakPolarHBondContact O-CB 3.37Å; L162-S166 PolarHBondContact O-N 3.35Å; F163-S166 PolarHBondContact O-N 2.7Å; S166-A168 VanDerWaalsContact C-N 3.29Å; S166-A168 PolarHBondContact O-N 3.08Å; S166-G169 WeakPolarHBondContact O-CA 3.27Å; S166-G169 PolarHBondContact O-N 3.09Å |
| 167 | A | 83.2 | Confident | 77 | Confident | 79 Ų | 79 | 110.1 Ų | 110.1 | 65% | 0.653 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.8 | -36.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F163 P164 G169 | F163-A167 VanDerWaalsContact O-CB 3.28Å; F163-A167 WeakPolarHBondContact O-CB 3.49Å; F163-A167 PolarHBondContact O-N 3.16Å; P164-A167 PolarHBondContact O-N 3.3Å; A167-G169 PolarHBondContact O-N 3.01Å |
| 168 | A | 88.1 | Confident | 78.9 | Confident | 69 Ų | 69 | 116.8 Ų | 116.8 | 57% | 0.57 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -5.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | P164 S166 L170 | P164-A168 WeakPolarHBondContact O-CB 2.96Å; P164-A168 PolarHBondContact O-N 3.47Å; S166-A168 VanDerWaalsContact C-N 3.29Å; S166-A168 PolarHBondContact O-N 3.08Å; A168-L170 VanDerWaalsContact C-N 3.25Å; A168-L170 HydrophobicContact CB-CD1 4.09Å; A168-L170 HydrophobicContact CB-CG 4.16Å; A168-L170 PolarHBondContact O-N 3.12Å |
| 169 | G | 84.5 | Confident | 80.7 | Confident | 36 Ų | 36 | 113 Ų | 113 | 37% | 0.371 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 75.5 | 6.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115 | F165 S166 A167 L171 T172 | F165-G169 PolarHBondContact O-N 2.72Å; S166-G169 WeakPolarHBondContact O-CA 3.27Å; S166-G169 PolarHBondContact O-N 3.09Å; A167-G169 PolarHBondContact O-N 3.01Å; G169-L171 VanDerWaalsContact C-N 3.31Å; G169-L171 PolarHBondContact O-N 2.89Å; G169-T172 PolarHBondContact O-N 3.31Å |
| 170 | L | 84.1 | Confident | 82.5 | Confident | 124 Ų | 124 | 114.2 Ų | 114.2 | 65% | 0.649 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -27.2 | -176.2 | -68 | 168.2 | 0 | 0 | 0 | 112.9 | F165 A168 | F165-L170 HydrophobicContact CB-CB 4.48Å; F165-L170 HydrophobicContact CD1-CB 4.3Å; F165-L170 HydrophobicContact CD1-CD1 3.54Å; F165-L170 HydrophobicContact CE1-CD1 4.04Å; F165-L170 HydrophobicContact CG-CD1 4.27Å; F165-L170 PolarHBondContact O-N 3.33Å; A168-L170 VanDerWaalsContact C-N 3.25Å; A168-L170 HydrophobicContact CB-CD1 4.09Å; A168-L170 HydrophobicContact CB-CG 4.16Å; A168-L170 PolarHBondContact O-N 3.12Å |
| 171 | L | 79.1 | Confident | 84 | Confident | 98 Ų | 98 | 114.4 Ų | 114.4 | 51% | 0.513 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.1 | -8.6 | 178.4 | -60.3 | 174.5 | 0 | 0 | 0 | 113.1 | L162 F165 G169 | L162-L171 HydrophobicContact CD1-CD1 3.51Å; L162-L171 HydrophobicContact CG-CD1 4.09Å; F165-L171 HydrophobicContact CB-CD1 4.02Å; F165-L171 HydrophobicContact CB-CG 4.02Å; G169-L171 VanDerWaalsContact C-N 3.31Å; G169-L171 PolarHBondContact O-N 2.89Å |
| 172 | T | 81.6 | Confident | 85.5 | Confident | 93 Ų | 93 | 117 Ų | 117 | 57% | 0.571 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -85.4 | 122 | 179.9 | -58.6 | 0 | 0 | 0 | 0 | 109.7 | G169 D174 | G169-T172 PolarHBondContact O-N 3.31Å; T172-D174 PolarHBondContact O-N 3.31Å |
| 173 | R | 81.7 | Confident | 86.7 | Confident | 163 Ų | 163 | 119.8 Ų | 119.8 | 62% | 0.615 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 120.3 | 171.6 | -178.3 | -179.2 | -178.1 | 157.8 | 5.1 | 109.7 | W175 | R173-W175 PolarHBondContact O-N 3.39Å; R173-W175 PolarHBondContact O-NE1 2.97Å |
| 174 | D | 89.1 | Confident | 87.7 | Confident | 91 Ų | 91 | 115.3 Ų | 115.3 | 49% | 0.487 | 58% | 0.583 | S | S | . | * | P | Polyproline II helix | trans | -68.1 | 116.4 | 173.4 | -163.6 | -15.6 | 0 | 0 | 0 | 110 | T172 R176 | T172-D174 PolarHBondContact O-N 3.31Å; D174-R176 VanDerWaalsContact C-N 3.35Å; D174-R176 WeakPolarHBondContact OD1-CB 3.47Å; D174-R176 WeakPolarHBondContact OD1-CG 3.01Å; D174-R176 PolarHBondContact OD1-N 3.38Å; D174-R176 IonicContact OD1-NE 3.12Å; D174-R176 PolarHBondContact OD1-NE 3.29Å; D174-R176 VanDerWaalsContact OD1-NE 3.12Å; D174-R176 IonicContact OD2-CZ 3.24Å; D174-R176 VanDerWaalsContact OD2-CZ 3.24Å; D174-R176 IonicContact OD2-NE 2.92Å; D174-R176 PolarHBondContact OD2-NE 2.97Å; D174-R176 IonicContact OD2-NH2 2.73Å; D174-R176 PolarHBondContact OD2-NH2 3.27Å |
| 175 | W | 88.4 | Confident | 88.3 | Confident | 182 Ų | 182 | 114.4 Ų | 114.4 | 69% | 0.689 | 57% | 0.573 | S | S | * | * | trans | -86.5 | -7.2 | 178.6 | -58.8 | 95.6 | 0 | 0 | 0 | 112.6 | R173 R177 | R173-W175 PolarHBondContact O-N 3.39Å; R173-W175 PolarHBondContact O-NE1 2.97Å; W175-R177 PolarHBondContact O-N 3.02Å; W175-R177 VanDerWaalsContact O-N 3.1Å | ||
| 176 | R | 90.2 | Very high | 89.2 | Confident | 212 Ų | 212 | 112.4 Ų | 112.4 | 80% | 0.8 | 57% | 0.568 | S | S | * | * | trans | -61.9 | 115.5 | -179.9 | -69.3 | -179.5 | -70.4 | -175.9 | -1.3 | 109.5 | D174 | D174-R176 VanDerWaalsContact C-N 3.35Å; D174-R176 WeakPolarHBondContact OD1-CB 3.47Å; D174-R176 WeakPolarHBondContact OD1-CG 3.01Å; D174-R176 PolarHBondContact OD1-N 3.38Å; D174-R176 IonicContact OD1-NE 3.12Å; D174-R176 PolarHBondContact OD1-NE 3.29Å; D174-R176 VanDerWaalsContact OD1-NE 3.12Å; D174-R176 IonicContact OD2-CZ 3.24Å; D174-R176 VanDerWaalsContact OD2-CZ 3.24Å; D174-R176 IonicContact OD2-NE 2.92Å; D174-R176 PolarHBondContact OD2-NE 2.97Å; D174-R176 IonicContact OD2-NH2 2.73Å; D174-R176 PolarHBondContact OD2-NH2 3.27Å | ||
| 177 | R | 90.8 | Very high | 89.9 | Confident | 183 Ų | 183 | 110.3 Ų | 110.3 | 69% | 0.691 | 56% | 0.556 | S | S | * | * | trans | -123.1 | 145.8 | 173.5 | -66.2 | -178 | -175 | -175.6 | 2.7 | 108.2 | W175 E179 | W175-R177 PolarHBondContact O-N 3.02Å; W175-R177 VanDerWaalsContact O-N 3.1Å; R177-E179 PolarHBondContact O-N 2.96Å; R177-E179 VanDerWaalsContact O-N 3.07Å | ||
| 178 | H | 94.4 | Very high | 90.4 | Very high | 185 Ų | 185 | 107.7 Ų | 107.7 | 86% | 0.856 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 117.5 | 177 | -179.4 | -84.9 | 0 | 0 | 0 | 110 | ||
| 179 | E | 94.3 | Very high | 90.7 | Very high | 86 Ų | 86 | 113 Ų | 113 | 40% | 0.402 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 137.3 | 179.3 | -70.9 | -177.6 | -179.1 | 0 | 0 | 110.3 | R177 A188 R189 | R177-E179 PolarHBondContact O-N 2.96Å; R177-E179 VanDerWaalsContact O-N 3.07Å; E179-A188 HydrophobicContact CB-CB 3.73Å; E179-R189 IonicContact OE1-CZ 3.46Å; E179-R189 IonicContact OE1-NE 3.37Å; E179-R189 PolarHBondContact OE1-NE 3.07Å; E179-R189 IonicContact OE1-NH2 2.7Å; E179-R189 PolarHBondContact OE1-NH2 3.41Å; E179-R189 IonicContact OE2-CZ 3.72Å; E179-R189 IonicContact OE2-NE 2.93Å; E179-R189 PolarHBondContact OE2-NE 3.41Å; E179-R189 IonicContact OE2-NH2 3.67Å |
| 180 | R | 95.6 | Very high | 91.2 | Very high | 183 Ų | 183 | 118.6 Ų | 118.6 | 69% | 0.691 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 152.6 | 177.6 | 70.2 | 175.3 | -175.2 | 83.8 | -6 | 112.1 | ||
| 181 | K | 94.8 | Very high | 91.7 | Very high | 136 Ų | 136 | 118.6 Ų | 118.6 | 59% | 0.591 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 143 | 169.2 | -173.4 | 175.1 | 178.2 | 177.5 | 0 | 110.9 | Q185 P186 | K181-Q185 WeakPolarHBondContact CE-O 3.07Å; K181-P186 WeakPolarHBondContact CE-O 3.44Å |
| 182 | K | 95 | Very high | 92.4 | Very high | 93 Ų | 93 | 122.4 Ų | 122.4 | 40% | 0.404 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -99.5 | 140.1 | 175.6 | -65.7 | 175.7 | -175.6 | 171.5 | 0 | 110.1 | Q185 | K182-Q185 HydrophobicContact CB-CB 4.31Å; K182-Q185 HydrophobicContact CB-CG 4.46Å; K182-Q185 PolarHBondContact O-N 3.2Å |
| 183 | V | 95.2 | Very high | 93 | Very high | 150 Ų | 150 | 124.4 Ų | 124.4 | 91% | 0.909 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | 138.8 | 175.3 | -173.6 | 0 | 0 | 0 | 0 | 109 | Q185 | V183-Q185 VanDerWaalsContact C-N 3.29Å; V183-Q185 PolarHBondContact O-N 3.43Å |
| 184 | G | 93 | Very high | 93.5 | Very high | 59 Ų | 59 | 126.5 Ų | 126.5 | 61% | 0.608 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.2 | 8.3 | -176 | 0 | 0 | 0 | 0 | 0 | 115.1 | W192 | G184-W192 PolarHBondContact O-NE1 3.45Š|
| 185 | Q | 94.7 | Very high | 93.7 | Very high | 41 Ų | 41 | 131 Ų | 131 | 19% | 0.192 | 59% | 0.592 | C | S | . | * | S | Bend | trans | -128 | 146.4 | 177 | -67.3 | 173 | 28.5 | 0 | 0 | 110.8 | K181 K182 V183 G187 K191 | K181-Q185 WeakPolarHBondContact CE-O 3.07Å; K182-Q185 HydrophobicContact CB-CB 4.31Å; K182-Q185 HydrophobicContact CB-CG 4.46Å; K182-Q185 PolarHBondContact O-N 3.2Å; V183-Q185 VanDerWaalsContact C-N 3.29Å; V183-Q185 PolarHBondContact O-N 3.43Å; Q185-G187 VanDerWaalsContact C-N 3.3Å; Q185-G187 PolarHBondContact O-N 2.73Å; Q185-K191 HydrophobicContact CG-CD 4.12Å |
| 186 | P | 94.8 | Very high | 93.7 | Very high | 34 Ų | 34 | 130.4 Ų | 130.4 | 22% | 0.221 | 59% | 0.594 | C | S | . | * | S | Bend | trans | -68.5 | -26.9 | 178.9 | 25.3 | -34.1 | 0 | 0 | 0 | 113 | K181 K190 W192 | K181-P186 WeakPolarHBondContact CE-O 3.44Å; P186-K190 HydrophobicContact CB-CD 4.44Å; P186-K190 WeakPolarHBondContact CD-O 3.49Å; P186-K190 HydrophobicContact CG-CB 4.03Å; P186-K190 HydrophobicContact CG-CD 4.11Å; P186-K190 HydrophobicContact CG-CG 3.77Å; P186-K190 WeakPolarHBondContact CG-O 3.45Å; P186-W192 HydrophobicContact CB-CD2 4.33Å; P186-W192 HydrophobicContact CB-CE3 4.25Å; P186-W192 HydrophobicContact CB-CH2 4.02Å; P186-W192 HydrophobicContact CB-CZ2 4.09Å; P186-W192 HydrophobicContact CB-CZ3 4.1Å; P186-W192 HydrophobicContact CG-CD2 4.13Å; P186-W192 HydrophobicContact CG-CE3 4.28Å |
| 187 | G | 94.5 | Very high | 93.7 | Very high | 19 Ų | 19 | 135 Ų | 135 | 20% | 0.196 | 61% | 0.611 | C | S | . | * | S | Bend | trans | -144.8 | -165.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q185 | Q185-G187 VanDerWaalsContact C-N 3.3Å; Q185-G187 PolarHBondContact O-N 2.73Å |
| 188 | A | 94.5 | Very high | 93.8 | Very high | 25 Ų | 25 | 132.6 Ų | 132.6 | 21% | 0.207 | 61% | 0.608 | C | S | . | * | S | Bend | trans | -64.5 | -40.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E179 | E179-A188 HydrophobicContact CB-CB 3.73Š|
| 189 | R | 94.3 | Very high | 93.8 | Very high | 180 Ų | 180 | 129.8 Ų | 129.8 | 68% | 0.679 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -122.7 | -30 | -179.5 | -62.2 | -173.9 | 174.5 | -129.7 | 4.1 | 114.3 | E179 K191 | E179-R189 IonicContact OE1-CZ 3.46Å; E179-R189 IonicContact OE1-NE 3.37Å; E179-R189 PolarHBondContact OE1-NE 3.07Å; E179-R189 IonicContact OE1-NH2 2.7Å; E179-R189 PolarHBondContact OE1-NH2 3.41Å; E179-R189 IonicContact OE2-CZ 3.72Å; E179-R189 IonicContact OE2-NE 2.93Å; E179-R189 PolarHBondContact OE2-NE 3.41Å; E179-R189 IonicContact OE2-NH2 3.67Å; R189-K191 PolarHBondContact O-N 2.72Å |
| 190 | K | 95.7 | Very high | 93.7 | Very high | 154 Ų | 154 | 132.2 Ų | 132.2 | 67% | 0.67 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 135.1 | 178.9 | -170.9 | 178.6 | 179.7 | 173.8 | 0 | 110.3 | P186 | P186-K190 HydrophobicContact CB-CD 4.44Å; P186-K190 WeakPolarHBondContact CD-O 3.49Å; P186-K190 HydrophobicContact CG-CB 4.03Å; P186-K190 HydrophobicContact CG-CD 4.11Å; P186-K190 HydrophobicContact CG-CG 3.77Å; P186-K190 WeakPolarHBondContact CG-O 3.45Å |
| 191 | K | 94.4 | Very high | 93.6 | Very high | 124 Ų | 124 | 129.2 Ų | 129.2 | 54% | 0.539 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -102.7 | 158 | 174.2 | -55.3 | -57.8 | -177.7 | -178.3 | 0 | 110.5 | Q185 R189 | Q185-K191 HydrophobicContact CG-CD 4.12Å; R189-K191 PolarHBondContact O-N 2.72Å |
| 192 | W | 93.4 | Very high | 93.6 | Very high | 178 Ų | 178 | 128.8 Ų | 128.8 | 67% | 0.674 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 149.7 | 165.5 | -64.5 | 114.1 | 0 | 0 | 0 | 109.8 | G184 P186 W194 | G184-W192 PolarHBondContact O-NE1 3.45Å; P186-W192 HydrophobicContact CB-CD2 4.33Å; P186-W192 HydrophobicContact CB-CE3 4.25Å; P186-W192 HydrophobicContact CB-CH2 4.02Å; P186-W192 HydrophobicContact CB-CZ2 4.09Å; P186-W192 HydrophobicContact CB-CZ3 4.1Å; P186-W192 HydrophobicContact CG-CD2 4.13Å; P186-W192 HydrophobicContact CG-CE3 4.28Å; W192-W194 PolarHBondContact O-N 2.99Å |
| 193 | T | 93.5 | Very high | 93.5 | Very high | 134 Ų | 134 | 131.2 Ų | 131.2 | 82% | 0.822 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 119.6 | 174.7 | -47.8 | 0 | 0 | 0 | 0 | 109.3 | ||
| 194 | W | 92.5 | Very high | 93.3 | Very high | 207 Ų | 207 | 129.9 Ų | 129.9 | 78% | 0.784 | 59% | 0.593 | S | S | * | * | trans | -84.5 | 113.3 | 174.2 | -178.8 | 65.5 | 0 | 0 | 0 | 109.3 | W192 K196 | W192-W194 PolarHBondContact O-N 2.99Å; W194-K196 HydrophobicContact CE3-CB 4.25Å; W194-K196 HydrophobicContact CH2-CB 4.07Å; W194-K196 HydrophobicContact CH2-CD 4.08Å; W194-K196 HydrophobicContact CH2-CG 3.74Å; W194-K196 HydrophobicContact CZ3-CB 3.83Å; W194-K196 HydrophobicContact CZ3-CD 3.96Å; W194-K196 HydrophobicContact CZ3-CG 3.88Å; W194-K196 PolarHBondContact O-N 3.03Å | ||
| 195 | K | 92.8 | Very high | 93.4 | Very high | 186 Ų | 186 | 135.3 Ų | 135.3 | 81% | 0.809 | 59% | 0.591 | S | S | * | * | trans | -83.5 | 106.6 | 175.4 | -66.8 | -174.2 | 177.7 | -175.5 | 0 | 109 | ||||
| 196 | K | 90.4 | Very high | 93.2 | Very high | 169 Ų | 169 | 143.2 Ų | 143.2 | 74% | 0.735 | 63% | 0.625 | S | S | * | * | trans | -72.7 | 131.5 | 171.4 | -164.9 | 175.7 | -177.4 | -174.3 | 0 | 108.6 | W194 | W194-K196 HydrophobicContact CE3-CB 4.25Å; W194-K196 HydrophobicContact CH2-CB 4.07Å; W194-K196 HydrophobicContact CH2-CD 4.08Å; W194-K196 HydrophobicContact CH2-CG 3.74Å; W194-K196 HydrophobicContact CZ3-CB 3.83Å; W194-K196 HydrophobicContact CZ3-CD 3.96Å; W194-K196 HydrophobicContact CZ3-CG 3.88Å; W194-K196 PolarHBondContact O-N 3.03Å | ||
| 197 | R | 88.2 | Confident | 93.1 | Very high | 308 Ų | 308 | 153.1 Ų | 153.1 | 100% | 1.162 | 66% | 0.662 | S | S | * | * | trans | -89.3 | 0 | 174.2 | -69 | -174.5 | -178.3 | 166.5 | -0.4 | 110.4 |
Retrieved 197 of 197 residues in 74.4 ms
(Link to these results)