| 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 | 37.1 | Very low | 45.9 | Very low | 237 Ų | 237 | 147.1 Ų | 147.1 | 100% | 1.167 | 76% | 0.761 | S | S | * | * | 0 | 104.8 | 0 | -60.8 | 176.7 | 93.9 | 0 | 0 | 106.8 | S3 | M1-S3 PolarHBondContact O-N 2.83Š| |||
| 2 | S | 38.8 | Very low | 46.5 | Very low | 122 Ų | 122 | 147.7 Ų | 147.7 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | trans | -68 | 116.9 | 179.2 | -170.3 | 0 | 0 | 0 | 0 | 107.8 | D4 | S2-D4 PolarHBondContact O-N 3.2Å; S2-D4 VanDerWaalsContact O-N 3.15Å | ||
| 3 | S | 40.7 | Very low | 47 | Very low | 90 Ų | 90 | 138.9 Ų | 138.9 | 63% | 0.629 | 70% | 0.704 | S | S | * | * | trans | -73.3 | 104.6 | 171.7 | -64.6 | 0 | 0 | 0 | 0 | 106.8 | M1 R5 | M1-S3 PolarHBondContact O-N 2.83Å; S3-R5 PolarHBondContact O-N 3.24Å | ||
| 4 | D | 45.1 | Very low | 47.7 | Very low | 163 Ų | 163 | 134.3 Ų | 134.3 | 87% | 0.872 | 68% | 0.681 | S | S | * | * | trans | -60.9 | 78.1 | 157.5 | -96.8 | -29 | 0 | 0 | 0 | 107.2 | S2 G6 | S2-D4 PolarHBondContact O-N 3.2Å; S2-D4 VanDerWaalsContact O-N 3.15Å; D4-G6 PolarHBondContact O-N 3.39Å | ||
| 5 | R | 43.7 | Very low | 48.4 | Very low | 221 Ų | 221 | 133.3 Ų | 133.3 | 83% | 0.834 | 67% | 0.671 | S | S | * | * | trans | -73.2 | 77.1 | 162.2 | -68.9 | -170.5 | -175.9 | -166.2 | 2.2 | 104.7 | S3 I7 | S3-R5 PolarHBondContact O-N 3.24Å; R5-I7 PolarHBondContact O-N 2.81Å; R5-I7 VanDerWaalsContact O-N 3.1Å | ||
| 6 | G | 45 | Very low | 49 | Very low | 60 Ų | 60 | 129.3 Ų | 129.3 | 62% | 0.619 | 65% | 0.645 | S | S | * | * | trans | -45.2 | 124.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | D4 | D4-G6 PolarHBondContact O-N 3.39Š| ||
| 7 | I | 46.7 | Very low | 49.4 | Very low | 146 Ų | 146 | 125.9 Ų | 125.9 | 75% | 0.749 | 63% | 0.629 | S | S | * | * | trans | -43.6 | 122.4 | 178.6 | -61.8 | 173.4 | 0 | 0 | 0 | 106.2 | R5 R9 | R5-I7 PolarHBondContact O-N 2.81Å; R5-I7 VanDerWaalsContact O-N 3.1Å; I7-R9 PolarHBondContact O-N 3.4Å | ||
| 8 | P | 47.1 | Very low | 49.7 | Very low | 122 Ų | 122 | 130.1 Ų | 130.1 | 79% | 0.792 | 64% | 0.636 | S | S | * | * | trans | -59.1 | 98 | 179.9 | 22.2 | -30.8 | 0 | 0 | 0 | 106.6 | D10 | P8-D10 PolarHBondContact O-N 2.92Å; P8-D10 VanDerWaalsContact O-N 3.14Å | ||
| 9 | R | 49.9 | Very low | 50.4 | Low | 171 Ų | 171 | 129.1 Ų | 129.1 | 65% | 0.645 | 63% | 0.63 | S | S | * | * | trans | -62.8 | 121.4 | 175.9 | -73 | -173.2 | 177.5 | 176 | -0.2 | 104.8 | I7 R11 D13 I14 | I7-R9 PolarHBondContact O-N 3.4Å; R9-R11 PolarHBondContact O-N 3.32Å; R9-D13 HydrophobicContact CB-CB 4.43Å; R9-I14 HydrophobicContact CB-CG1 4.44Å | ||
| 10 | D | 56.8 | Low | 50.4 | Low | 81 Ų | 81 | 126.1 Ų | 126.1 | 43% | 0.433 | 63% | 0.634 | S | S | . | * | trans | -51.1 | 139.5 | 174.1 | -173 | -9.1 | 0 | 0 | 0 | 107.5 | P8 Y12 D13 I14 | P8-D10 PolarHBondContact O-N 2.92Å; P8-D10 VanDerWaalsContact O-N 3.14Å; D10-Y12 PolarHBondContact O-N 3.29Å; D10-Y12 WeakPolarHBondContact OD1-CD2 2.95Å; D10-Y12 PolarHBondContact OD1-N 3.06Å; D10-Y12 WeakPolarHBondContact OD2-CD2 3.23Å; D10-D13 WeakPolarHBondContact O-CA 3.33Å; D10-D13 WeakPolarHBondContact O-CB 3.01Å; D10-D13 PolarHBondContact O-N 3.31Å; D10-I14 PolarHBondContact O-N 3.4Å | ||
| 11 | R | 53.9 | Low | 50.4 | Low | 205 Ų | 205 | 125.4 Ų | 125.4 | 77% | 0.774 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -56.1 | -26.5 | 178.9 | -67 | -174.5 | -65 | 169.8 | 0 | 110.6 | R9 I14 F15 | R9-R11 PolarHBondContact O-N 3.32Å; R11-I14 PolarHBondContact O-N 2.9Å; R11-F15 PolarHBondContact O-N 3.24Å |
| 12 | Y | 52.6 | Low | 51 | Low | 154 Ų | 154 | 121.6 Ų | 121.6 | 60% | 0.604 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -70 | -29.8 | 172.6 | -60 | -64.9 | 0 | 0 | 0 | 113.8 | D10 F15 R16 | D10-Y12 PolarHBondContact O-N 3.29Å; D10-Y12 WeakPolarHBondContact OD1-CD2 2.95Å; D10-Y12 PolarHBondContact OD1-N 3.06Å; D10-Y12 WeakPolarHBondContact OD2-CD2 3.23Å; Y12-F15 PolarHBondContact O-N 2.94Å; Y12-R16 WeakPolarHBondContact O-CB 3.45Å; Y12-R16 VanDerWaalsContact O-CG 3.25Å; Y12-R16 WeakPolarHBondContact O-CG 3.25Å; Y12-R16 PolarHBondContact O-N 3.08Å |
| 13 | D | 53.7 | Low | 51.5 | Low | 34 Ų | 34 | 119.7 Ų | 119.7 | 18% | 0.182 | 59% | 0.587 | C | S | . | * | H | α-helix | trans | -68.7 | -38.8 | 173.9 | -73.1 | -27.7 | 0 | 0 | 0 | 111.3 | R9 D10 F15 R16 I17 | R9-D13 HydrophobicContact CB-CB 4.43Å; D10-D13 WeakPolarHBondContact O-CA 3.33Å; D10-D13 WeakPolarHBondContact O-CB 3.01Å; D10-D13 PolarHBondContact O-N 3.31Å; D13-F15 VanDerWaalsContact C-N 3.32Å; D13-F15 PolarHBondContact O-N 3.01Å; D13-R16 PolarHBondContact O-N 3.1Å; D13-I17 VanDerWaalsContact O-CG1 3.23Å; D13-I17 WeakPolarHBondContact O-CG1 3.45Å; D13-I17 PolarHBondContact O-N 3.37Å |
| 14 | I | 56.6 | Low | 51.7 | Low | 74 Ų | 74 | 120.5 Ų | 120.5 | 38% | 0.379 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.4 | -44.6 | 175 | -60.5 | 174.5 | 0 | 0 | 0 | 110 | R9 D10 R11 I17 R18 | R9-I14 HydrophobicContact CB-CG1 4.44Å; D10-I14 PolarHBondContact O-N 3.4Å; R11-I14 PolarHBondContact O-N 2.9Å; I14-I17 PolarHBondContact O-N 3.09Å; I14-R18 WeakPolarHBondContact O-CG 3.37Å; I14-R18 PolarHBondContact O-N 3.13Å |
| 15 | F | 58.1 | Low | 51.9 | Low | 120 Ų | 120 | 115.2 Ų | 115.2 | 53% | 0.526 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.9 | -46 | 175.9 | -175.6 | -97.9 | 0 | 0 | 0 | 111.2 | R11 Y12 D13 I17 R18 Q19 | R11-F15 PolarHBondContact O-N 3.24Å; Y12-F15 PolarHBondContact O-N 2.94Å; D13-F15 VanDerWaalsContact C-N 3.32Å; D13-F15 PolarHBondContact O-N 3.01Å; F15-I17 PolarHBondContact O-N 3.47Å; F15-R18 PolarHBondContact O-N 3Å; F15-Q19 HydrophobicContact CD1-CG 4.18Å; F15-Q19 HydrophobicContact CE1-CG 3.81Å; F15-Q19 HydrophobicContact CZ-CG 4Å; F15-Q19 WeakPolarHBondContact O-CG 3.38Å; F15-Q19 PolarHBondContact O-N 3.31Å |
| 16 | R | 58 | Low | 52.2 | Low | 69 Ų | 69 | 111.4 Ų | 111.4 | 26% | 0.26 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -56.6 | -50.7 | 175.8 | -77.6 | 172.2 | -168.4 | -120.3 | -0 | 112.4 | Y12 D13 R18 Q19 G20 M21 | Y12-R16 WeakPolarHBondContact O-CB 3.45Å; Y12-R16 VanDerWaalsContact O-CG 3.25Å; Y12-R16 WeakPolarHBondContact O-CG 3.25Å; Y12-R16 PolarHBondContact O-N 3.08Å; D13-R16 PolarHBondContact O-N 3.1Å; R16-R18 VanDerWaalsContact C-N 3.28Å; R16-R18 PolarHBondContact O-N 3.37Å; R16-Q19 CarbonylContact O-C 3.46Å; R16-Q19 WeakPolarHBondContact O-CA 3.38Å; R16-Q19 PolarHBondContact O-N 2.75Å; R16-G20 PolarHBondContact O-N 3Å; R16-M21 CarbonylContact C-O 3.58Å; R16-M21 HydrophobicContact CB-CB 3.88Å; R16-M21 HydrophobicContact CG-CB 4.23Å; R16-M21 HydrophobicContact CG-SD 4.28Å; R16-M21 WeakPolarHBondContact O-CB 3.23Å; R16-M21 PolarHBondContact O-N 2.85Å |
| 17 | I | 56.5 | Low | 52.4 | Low | 72 Ų | 72 | 115.4 Ų | 115.4 | 37% | 0.369 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -58.8 | -41.8 | 179.2 | -66.7 | 163.3 | 0 | 0 | 0 | 110.5 | D13 I14 F15 Q19 G20 P23 | D13-I17 VanDerWaalsContact O-CG1 3.23Å; D13-I17 WeakPolarHBondContact O-CG1 3.45Å; D13-I17 PolarHBondContact O-N 3.37Å; I14-I17 PolarHBondContact O-N 3.09Å; F15-I17 PolarHBondContact O-N 3.47Å; I17-Q19 VanDerWaalsContact C-N 3.27Å; I17-Q19 PolarHBondContact O-N 2.73Å; I17-G20 PolarHBondContact O-N 2.84Å; I17-P23 HydrophobicContact CG1-CG 4.37Å |
| 18 | R | 54.8 | Low | 52.3 | Low | 200 Ų | 200 | 114.8 Ų | 114.8 | 76% | 0.755 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64 | -30.4 | 176.2 | -72.6 | -177.8 | -167.5 | 173.8 | 4.2 | 113.2 | I14 F15 R16 G20 | I14-R18 WeakPolarHBondContact O-CG 3.37Å; I14-R18 PolarHBondContact O-N 3.13Å; F15-R18 PolarHBondContact O-N 3Å; R16-R18 VanDerWaalsContact C-N 3.28Å; R16-R18 PolarHBondContact O-N 3.37Å; R18-G20 PolarHBondContact O-N 3.05Å |
| 19 | Q | 62.8 | Low | 52.1 | Low | 111 Ų | 111 | 112.8 Ų | 112.8 | 52% | 0.519 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 4.4 | 173.3 | -59.7 | -53.3 | -40.7 | 0 | 0 | 113 | F15 R16 I17 M21 | F15-Q19 HydrophobicContact CD1-CG 4.18Å; F15-Q19 HydrophobicContact CE1-CG 3.81Å; F15-Q19 HydrophobicContact CZ-CG 4Å; F15-Q19 WeakPolarHBondContact O-CG 3.38Å; F15-Q19 PolarHBondContact O-N 3.31Å; R16-Q19 CarbonylContact O-C 3.46Å; R16-Q19 WeakPolarHBondContact O-CA 3.38Å; R16-Q19 PolarHBondContact O-N 2.75Å; I17-Q19 VanDerWaalsContact C-N 3.27Å; I17-Q19 PolarHBondContact O-N 2.73Å; Q19-M21 HydrophobicContact CB-CE 4.39Å; Q19-M21 HydrophobicContact CB-CG 4.11Å; Q19-M21 HydrophobicContact CB-SD 4.4Å; Q19-M21 PolarHBondContact O-N 2.71Å |
| 20 | G | 51 | Low | 51.6 | Low | 70 Ų | 70 | 113.3 Ų | 113.3 | 72% | 0.722 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.6 | 12.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114 | R16 I17 R18 | R16-G20 PolarHBondContact O-N 3Å; I17-G20 PolarHBondContact O-N 2.84Å; R18-G20 PolarHBondContact O-N 3.05Å |
| 21 | M | 48.8 | Very low | 50.9 | Low | 112 Ų | 112 | 116.3 Ų | 116.3 | 55% | 0.552 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 138.5 | 175.3 | -61.6 | -179.9 | 176.6 | 0 | 0 | 109.8 | R16 Q19 | R16-M21 CarbonylContact C-O 3.58Å; R16-M21 HydrophobicContact CB-CB 3.88Å; R16-M21 HydrophobicContact CG-CB 4.23Å; R16-M21 HydrophobicContact CG-SD 4.28Å; R16-M21 WeakPolarHBondContact O-CB 3.23Å; R16-M21 PolarHBondContact O-N 2.85Å; Q19-M21 HydrophobicContact CB-CE 4.39Å; Q19-M21 HydrophobicContact CB-CG 4.11Å; Q19-M21 HydrophobicContact CB-SD 4.4Å; Q19-M21 PolarHBondContact O-N 2.71Å |
| 22 | R | 50.2 | Low | 50.2 | Low | 157 Ų | 157 | 110.5 Ų | 110.5 | 59% | 0.592 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 141 | 174.9 | -83.7 | -179 | 164.5 | -167.5 | -6.7 | 110.1 | N51 | R22-N51 VanDerWaalsContact CZ-OD1 3.23Å; R22-N51 PolarHBondContact NE-ND2 2.85Å; R22-N51 VanDerWaalsContact NH2-CG 3.31Å; R22-N51 PolarHBondContact NH2-OD1 3.02Å |
| 23 | P | 49.4 | Very low | 49.8 | Very low | 81 Ų | 81 | 109 Ų | 109 | 53% | 0.526 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -52.4 | 141.4 | 165.2 | -19.4 | 29.8 | 0 | 0 | 0 | 109.2 | I17 S25 | I17-P23 HydrophobicContact CG1-CG 4.37Å; P23-S25 PolarHBondContact O-N 2.78Å |
| 24 | R | 45.8 | Very low | 49.4 | Very low | 108 Ų | 108 | 111.9 Ų | 111.9 | 41% | 0.408 | 58% | 0.576 | S | S | . | * | trans | -58.2 | 115.8 | 174.5 | -69.7 | -179.8 | 107.6 | 149.5 | -1.8 | 107.8 | ||||
| 25 | S | 48.6 | Very low | 48.7 | Very low | 52 Ų | 52 | 114.1 Ų | 114.1 | 36% | 0.364 | 59% | 0.588 | S | S | . | * | trans | -67.8 | 147.1 | 159.6 | 57.1 | 0 | 0 | 0 | 0 | 107.3 | P23 D27 E28 | P23-S25 PolarHBondContact O-N 2.78Å; S25-D27 PolarHBondContact O-N 2.74Å; S25-D27 VanDerWaalsContact O-N 3.11Å; S25-E28 PolarHBondContact O-N 2.79Å; S25-E28 WeakPolarHBondContact OG-CG 3.49Å; S25-E28 PolarHBondContact OG-N 2.87Å | ||
| 26 | T | 50.5 | Low | 47.6 | Very low | 140 Ų | 140 | 114.1 Ų | 114.1 | 86% | 0.859 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | -20.8 | 173.6 | 42.6 | 0 | 0 | 0 | 0 | 112.6 | ||
| 27 | D | 47.8 | Very low | 46.7 | Very low | 144 Ų | 144 | 115.8 Ų | 115.8 | 77% | 0.77 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -15.1 | -176.8 | -60.1 | -13.7 | 0 | 0 | 0 | 113.1 | S25 A29 | S25-D27 PolarHBondContact O-N 2.74Å; S25-D27 VanDerWaalsContact O-N 3.11Å; D27-A29 PolarHBondContact O-N 3.32Å |
| 28 | E | 45 | Very low | 45.6 | Very low | 133 Ų | 133 | 120.4 Ų | 120.4 | 62% | 0.621 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -81.1 | 69.1 | 168.6 | -73.2 | -170.5 | -154.6 | 0 | 0 | 109.2 | S25 Y30 | S25-E28 PolarHBondContact O-N 2.79Å; S25-E28 WeakPolarHBondContact OG-CG 3.49Å; S25-E28 PolarHBondContact OG-N 2.87Å; E28-Y30 PolarHBondContact O-N 2.81Å |
| 29 | A | 42.8 | Very low | 44.8 | Very low | 80 Ų | 80 | 117.1 Ų | 117.1 | 66% | 0.661 | 63% | 0.631 | S | S | * | * | trans | -42.6 | 132.2 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | D27 I31 | D27-A29 PolarHBondContact O-N 3.32Å; A29-I31 PolarHBondContact O-N 2.77Å | ||
| 30 | Y | 40.5 | Very low | 43.7 | Very low | 182 Ų | 182 | 118.9 Ų | 118.9 | 71% | 0.714 | 65% | 0.645 | S | S | * | * | trans | -35.3 | 111.7 | 175.6 | -89.5 | -106.5 | 0 | 0 | 0 | 111.1 | E28 D32 | E28-Y30 PolarHBondContact O-N 2.81Å; Y30-D32 PolarHBondContact O-N 3Å | ||
| 31 | I | 42.2 | Very low | 42.8 | Very low | 144 Ų | 144 | 119.3 Ų | 119.3 | 74% | 0.738 | 65% | 0.649 | S | S | * | * | trans | -67.3 | 98.1 | 152.7 | -56.8 | 176.3 | 0 | 0 | 0 | 103.7 | A29 L33 | A29-I31 PolarHBondContact O-N 2.77Å; I31-L33 HydrophobicContact CG2-CG 4.22Å; I31-L33 PolarHBondContact O-N 3.04Å | ||
| 32 | D | 39.1 | Very low | 42.1 | Very low | 83 Ų | 83 | 120.6 Ų | 120.6 | 44% | 0.444 | 66% | 0.657 | S | S | . | * | trans | -66.6 | 86.3 | 173 | -174.6 | 5.9 | 0 | 0 | 0 | 108.4 | Y30 S34 N35 | Y30-D32 PolarHBondContact O-N 3Å; D32-S34 VanDerWaalsContact CG-OG 3.29Å; D32-S34 PolarHBondContact O-N 3.37Å; D32-S34 VanDerWaalsContact OD1-CB 3.25Å; D32-S34 WeakPolarHBondContact OD1-CB 3.45Å; D32-S34 PolarHBondContact OD1-N 3.49Å; D32-S34 VanDerWaalsContact OD1-N 3.11Å; D32-S34 PolarHBondContact OD1-OG 2.99Å; D32-S34 PolarHBondContact OD2-OG 3.18Å; D32-N35 PolarHBondContact O-N 3.31Å; D32-N35 PolarHBondContact OD2-ND2 3.27Å | ||
| 33 | L | 44.7 | Very low | 41.6 | Very low | 124 Ų | 124 | 117.1 Ų | 117.1 | 65% | 0.649 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -66.1 | -9.3 | 176 | -77 | 134.5 | 0 | 0 | 0 | 112.1 | I31 N35 N36 | I31-L33 HydrophobicContact CG2-CG 4.22Å; I31-L33 PolarHBondContact O-N 3.04Å; L33-N35 PolarHBondContact O-N 3.14Å; L33-N36 PolarHBondContact O-N 3.1Å |
| 34 | S | 43.6 | Very low | 41.1 | Very low | 94 Ų | 94 | 121.1 Ų | 121.1 | 66% | 0.657 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -68.9 | -24.9 | 176.6 | 76.4 | 0 | 0 | 0 | 0 | 112.5 | D32 | D32-S34 VanDerWaalsContact CG-OG 3.29Å; D32-S34 PolarHBondContact O-N 3.37Å; D32-S34 VanDerWaalsContact OD1-CB 3.25Å; D32-S34 WeakPolarHBondContact OD1-CB 3.45Å; D32-S34 PolarHBondContact OD1-N 3.49Å; D32-S34 VanDerWaalsContact OD1-N 3.11Å; D32-S34 PolarHBondContact OD1-OG 2.99Å; D32-S34 PolarHBondContact OD2-OG 3.18Å |
| 35 | N | 43.3 | Very low | 40.5 | Very low | 121 Ų | 121 | 121.7 Ų | 121.7 | 65% | 0.647 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -87.4 | -1.1 | 178.5 | -66.5 | -38.8 | 0 | 0 | 0 | 114.2 | D32 L33 | D32-N35 PolarHBondContact O-N 3.31Å; D32-N35 PolarHBondContact OD2-ND2 3.27Å; L33-N35 PolarHBondContact O-N 3.14Å |
| 36 | N | 34.7 | Very low | 40.2 | Very low | 120 Ų | 120 | 124.6 Ų | 124.6 | 64% | 0.642 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -117.4 | 92.5 | 175.3 | -126.7 | 13.8 | 0 | 0 | 0 | 109.1 | L33 M38 | L33-N36 PolarHBondContact O-N 3.1Å; N36-M38 PolarHBondContact O-N 2.84Å; N36-M38 VanDerWaalsContact O-N 3.1Å |
| 37 | P | 38.3 | Very low | 39.6 | Very low | 104 Ų | 104 | 123.7 Ų | 123.7 | 68% | 0.675 | 69% | 0.694 | S | S | * | * | trans | -55.8 | 124.8 | 174.3 | 24.6 | -31.6 | 0 | 0 | 0 | 106.9 | I39 | P37-I39 PolarHBondContact O-N 3.1Š| ||
| 38 | M | 34.2 | Very low | 39.1 | Very low | 169 Ų | 169 | 122.4 Ų | 122.4 | 83% | 0.833 | 69% | 0.691 | S | S | * | * | trans | -38.6 | 104.9 | -179.5 | -63.7 | 175.2 | 79.6 | 0 | 0 | 109.2 | N36 D40 | N36-M38 PolarHBondContact O-N 2.84Å; N36-M38 VanDerWaalsContact O-N 3.1Å; M38-D40 PolarHBondContact O-N 2.81Å | ||
| 39 | I | 36.6 | Very low | 38.8 | Very low | 130 Ų | 130 | 124.1 Ų | 124.1 | 67% | 0.667 | 69% | 0.693 | S | S | * | * | trans | -70.4 | 90.6 | 161.4 | -60.3 | 178.3 | 0 | 0 | 0 | 103.4 | P37 G41 L42 | P37-I39 PolarHBondContact O-N 3.1Å; I39-G41 PolarHBondContact O-N 3.33Å; I39-L42 PolarHBondContact O-N 3.05Å | ||
| 40 | D | 39.6 | Very low | 38.4 | Very low | 149 Ų | 149 | 129.5 Ų | 129.5 | 80% | 0.797 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -42.4 | 111.2 | 164.7 | -82.2 | -27.2 | 0 | 0 | 0 | 108 | M38 | M38-D40 PolarHBondContact O-N 2.81Š|
| 41 | G | 33.5 | Very low | 38.3 | Very low | 78 Ų | 78 | 125.5 Ų | 125.5 | 80% | 0.804 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 108.4 | -3.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | I39 A43 | I39-G41 PolarHBondContact O-N 3.33Å; G41-A43 PolarHBondContact O-N 3.22Å |
| 42 | L | 34.5 | Very low | 38.1 | Very low | 139 Ų | 139 | 127.5 Ų | 127.5 | 73% | 0.728 | 69% | 0.691 | S | S | * | * | trans | -80.4 | 96.6 | 165.4 | -138.3 | 86.8 | 0 | 0 | 0 | 108.3 | I39 Q44 | I39-L42 PolarHBondContact O-N 3.05Å; L42-Q44 VanDerWaalsContact C-N 3.29Å; L42-Q44 PolarHBondContact O-N 3.48Å | ||
| 43 | A | 38.1 | Very low | 37.9 | Very low | 85 Ų | 85 | 132.3 Ų | 132.3 | 70% | 0.702 | 71% | 0.71 | S | S | * | * | trans | -40.3 | 99.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108 | G41 T45 | G41-A43 PolarHBondContact O-N 3.22Å; A43-T45 PolarHBondContact O-N 2.88Å | ||
| 44 | Q | 39 | Very low | 37.7 | Very low | 164 Ų | 164 | 131 Ų | 131 | 77% | 0.766 | 72% | 0.718 | S | S | * | * | trans | -63.5 | 95.4 | 171.3 | -78.3 | -179.6 | 12.4 | 0 | 0 | 103.9 | L42 V46 | L42-Q44 VanDerWaalsContact C-N 3.29Å; L42-Q44 PolarHBondContact O-N 3.48Å; Q44-V46 PolarHBondContact O-N 3.45Å | ||
| 45 | T | 34.9 | Very low | 37.6 | Very low | 120 Ų | 120 | 133 Ų | 133 | 74% | 0.736 | 73% | 0.726 | S | S | * | * | trans | -55.2 | 90.4 | 157.7 | 32.1 | 0 | 0 | 0 | 0 | 104.6 | A43 L47 | A43-T45 PolarHBondContact O-N 2.88Å; T45-L47 PolarHBondContact O-N 3.49Å | ||
| 46 | V | 41 | Very low | 37.2 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 69% | 0.685 | 73% | 0.728 | S | S | * | * | trans | -54.3 | 100.5 | 164.4 | -179.5 | 0 | 0 | 0 | 0 | 103.1 | Q44 V48 | Q44-V46 PolarHBondContact O-N 3.45Å; V46-V48 HydrophobicContact CB-CG2 4.43Å; V46-V48 HydrophobicContact CG1-CG2 3.84Å; V46-V48 PolarHBondContact O-N 3.3Å | ||
| 47 | L | 37.5 | Very low | 37.2 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 63% | 0.634 | 74% | 0.74 | S | S | * | * | trans | -65.7 | 86 | 170.9 | -81.9 | 154.6 | 0 | 0 | 0 | 104.6 | T45 Y49 | T45-L47 PolarHBondContact O-N 3.49Å; L47-Y49 HydrophobicContact CB-CD2 3.86Å; L47-Y49 HydrophobicContact CB-CE2 3.47Å; L47-Y49 VanDerWaalsContact CB-CE2 3.47Å; L47-Y49 HydrophobicContact CD1-CE2 4.23Å; L47-Y49 HydrophobicContact CG-CE2 4.3Å; L47-Y49 VanDerWaalsContact O-CD2 3.23Å; L47-Y49 WeakPolarHBondContact O-CD2 3.17Å; L47-Y49 PolarHBondContact O-N 3.24Å | ||
| 48 | V | 38.9 | Very low | 37 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 71% | 0.709 | 75% | 0.749 | S | S | * | * | trans | -69.3 | 82.5 | 167.7 | -178.8 | 0 | 0 | 0 | 0 | 104.7 | V46 K50 | V46-V48 HydrophobicContact CB-CG2 4.43Å; V46-V48 HydrophobicContact CG1-CG2 3.84Å; V46-V48 PolarHBondContact O-N 3.3Å; V48-K50 VanDerWaalsContact C-N 3.32Å; V48-K50 PolarHBondContact O-N 2.85Å | ||
| 49 | Y | 38 | Very low | 36.9 | Very low | 169 Ų | 169 | 141.9 Ų | 141.9 | 66% | 0.663 | 75% | 0.753 | S | S | * | * | trans | -58.1 | 103 | 167.3 | -74 | -85.2 | 0 | 0 | 0 | 105.9 | L47 N51 | L47-Y49 HydrophobicContact CB-CD2 3.86Å; L47-Y49 HydrophobicContact CB-CE2 3.47Å; L47-Y49 VanDerWaalsContact CB-CE2 3.47Å; L47-Y49 HydrophobicContact CD1-CE2 4.23Å; L47-Y49 HydrophobicContact CG-CE2 4.3Å; L47-Y49 VanDerWaalsContact O-CD2 3.23Å; L47-Y49 WeakPolarHBondContact O-CD2 3.17Å; L47-Y49 PolarHBondContact O-N 3.24Å; Y49-N51 VanDerWaalsContact C-N 3.3Å; Y49-N51 PolarHBondContact O-N 2.87Å | ||
| 50 | K | 33.3 | Very low | 36.6 | Very low | 193 Ų | 193 | 138.7 Ų | 138.7 | 84% | 0.839 | 75% | 0.752 | S | S | * | * | trans | -55.5 | 99.6 | 170.4 | -74.9 | -176.2 | 177.4 | -179.8 | 0 | 106.7 | V48 R52 | V48-K50 VanDerWaalsContact C-N 3.32Å; V48-K50 PolarHBondContact O-N 2.85Å; K50-R52 PolarHBondContact O-N 3.19Å | ||
| 51 | N | 39.8 | Very low | 36.3 | Very low | 99 Ų | 99 | 138.8 Ų | 138.8 | 53% | 0.529 | 75% | 0.753 | S | S | . | * | trans | -69.5 | 70 | 169.9 | -68.1 | -37.6 | 0 | 0 | 0 | 108.7 | R22 Y49 | R22-N51 VanDerWaalsContact CZ-OD1 3.23Å; R22-N51 PolarHBondContact NE-ND2 2.85Å; R22-N51 VanDerWaalsContact NH2-CG 3.31Å; R22-N51 PolarHBondContact NH2-OD1 3.02Å; Y49-N51 VanDerWaalsContact C-N 3.3Å; Y49-N51 PolarHBondContact O-N 2.87Å | ||
| 52 | R | 37.2 | Very low | 36.2 | Very low | 185 Ų | 185 | 142.5 Ų | 142.5 | 70% | 0.698 | 75% | 0.754 | S | S | * | * | trans | -85.3 | 12.4 | 169.8 | -156.5 | -176.9 | 179.5 | 175.3 | 1.6 | 111.6 | K50 E69 | K50-R52 PolarHBondContact O-N 3.19Å; R52-E69 IonicContact CZ-OE1 3.8Å; R52-E69 IonicContact NH1-OE1 3.47Å; R52-E69 PolarHBondContact NH1-OE1 2.9Å; R52-E69 IonicContact NH1-OE2 3.37Å; R52-E69 PolarHBondContact NH1-OE2 3.03Å; R52-E69 IonicContact NH2-OE1 3.09Å; R52-E69 PolarHBondContact NH2-OE1 3.41Å; R52-E69 VanDerWaalsContact NH2-OE1 3.09Å | ||
| 53 | E | 35.9 | Very low | 36.2 | Very low | 184 Ų | 184 | 141.4 Ų | 141.4 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | trans | -131.2 | 76.6 | -174.2 | -65.5 | -172.4 | -178.9 | 0 | 0 | 111.7 | ||||
| 54 | A | 40.2 | Very low | 36 | Very low | 97 Ų | 97 | 146.1 Ų | 146.1 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | -158.3 | 7.7 | 154.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G56 | A54-G56 PolarHBondContact O-N 3.4Š| ||
| 55 | T | 40.2 | Very low | 35.7 | Very low | 136 Ų | 136 | 140.1 Ų | 140.1 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -72.9 | 86 | 160.8 | 44.7 | 0 | 0 | 0 | 0 | 107 | K57 | T55-K57 PolarHBondContact O-N 3.36Š|
| 56 | G | 35 | Very low | 35.4 | Very low | 66 Ų | 66 | 140.1 Ų | 140.1 | 68% | 0.68 | 76% | 0.759 | S | S | * | * | trans | -43 | 123.4 | 171 | 0 | 0 | 0 | 0 | 0 | 109.3 | A54 Q58 | A54-G56 PolarHBondContact O-N 3.4Å; G56-Q58 VanDerWaalsContact C-N 3.35Å; G56-Q58 PolarHBondContact O-N 3.38Å | ||
| 57 | K | 34.9 | Very low | 35.1 | Very low | 206 Ų | 206 | 145 Ų | 145 | 90% | 0.896 | 77% | 0.766 | S | S | * | * | trans | -51.6 | 96.5 | 169.9 | -63.5 | -174.2 | 176.8 | -175.1 | 0 | 109.1 | T55 | T55-K57 PolarHBondContact O-N 3.36Š| ||
| 58 | Q | 35.4 | Very low | 34.9 | Very low | 187 Ų | 187 | 143.9 Ų | 143.9 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | trans | -111.1 | 81 | 151.1 | -76.7 | -161.1 | -11 | 0 | 0 | 107 | G56 | G56-Q58 VanDerWaalsContact C-N 3.35Å; G56-Q58 PolarHBondContact O-N 3.38Å | ||
| 59 | R | 32 | Very low | 34.8 | Very low | 242 Ų | 242 | 145.1 Ų | 145.1 | 91% | 0.913 | 77% | 0.767 | S | S | * | * | trans | 168.7 | 73.1 | 157.6 | -93.9 | 162.7 | -177.1 | -167.4 | 0.8 | 106.2 | ||||
| 60 | G | 28.8 | Very low | 34.5 | Very low | 63 Ų | 63 | 145.2 Ų | 145.2 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | trans | -68 | 120.6 | 145 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 61 | D | 33.4 | Very low | 34.6 | Very low | 150 Ų | 150 | 142.8 Ų | 142.8 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | trans | 177.1 | 100.3 | 143.6 | -82.1 | -17.2 | 0 | 0 | 0 | 107.9 | ||||
| 62 | N | 32.8 | Very low | 34.3 | Very low | 156 Ų | 156 | 143.4 Ų | 143.4 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | 51.4 | 92.7 | 147.5 | -55.1 | -25.9 | 0 | 0 | 0 | 118.7 | ||||
| 63 | S | 34.1 | Very low | 33.9 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -156.1 | 120.6 | 136 | 46.8 | 0 | 0 | 0 | 0 | 110.2 | G65 | S63-G65 PolarHBondContact O-N 3.11Š| ||
| 64 | D | 32.7 | Very low | 33.8 | Very low | 184 Ų | 184 | 133 Ų | 133 | 98% | 0.984 | 79% | 0.787 | S | S | * | * | trans | -63.9 | 80.3 | 165.2 | -74 | -41.7 | 0 | 0 | 0 | 108.9 | ||||
| 65 | G | 34 | Very low | 33.6 | Very low | 37 Ų | 37 | 137.5 Ų | 137.5 | 38% | 0.381 | 79% | 0.788 | S | S | . | * | trans | -110.9 | 103.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | S63 Y67 | S63-G65 PolarHBondContact O-N 3.11Å; G65-Y67 WeakPolarHBondContact O-CD1 3.35Å; G65-Y67 WeakPolarHBondContact O-CE1 3.46Å; G65-Y67 PolarHBondContact O-N 3.2Å | ||
| 66 | S | 28.9 | Very low | 33.6 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -66.3 | 97.8 | 166.2 | 63.9 | 0 | 0 | 0 | 0 | 109 | S68 | S66-S68 PolarHBondContact O-N 2.84Å; S66-S68 VanDerWaalsContact O-N 3.13Å | ||
| 67 | Y | 34.3 | Very low | 34 | Very low | 214 Ų | 214 | 143.7 Ų | 143.7 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | -78.7 | 96.5 | 177 | 15.2 | -93.4 | 0 | 0 | 0 | 110 | G65 | G65-Y67 WeakPolarHBondContact O-CD1 3.35Å; G65-Y67 WeakPolarHBondContact O-CE1 3.46Å; G65-Y67 PolarHBondContact O-N 3.2Å | ||
| 68 | S | 32.1 | Very low | 34.6 | Very low | 99 Ų | 99 | 139.1 Ų | 139.1 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | trans | -83.3 | 96.4 | 159.6 | 176 | 0 | 0 | 0 | 0 | 108 | S66 Q70 | S66-S68 PolarHBondContact O-N 2.84Å; S66-S68 VanDerWaalsContact O-N 3.13Å; S68-Q70 PolarHBondContact O-N 3.01Å; S68-Q70 VanDerWaalsContact O-N 3.08Å | ||
| 69 | E | 37.3 | Very low | 35.2 | Very low | 142 Ų | 142 | 137.4 Ų | 137.4 | 66% | 0.664 | 79% | 0.788 | S | S | * | * | trans | -74 | 90.1 | 169.7 | -87.8 | -180 | 169.1 | 0 | 0 | 108.1 | R52 T71 | R52-E69 IonicContact CZ-OE1 3.8Å; R52-E69 IonicContact NH1-OE1 3.47Å; R52-E69 PolarHBondContact NH1-OE1 2.9Å; R52-E69 IonicContact NH1-OE2 3.37Å; R52-E69 PolarHBondContact NH1-OE2 3.03Å; R52-E69 IonicContact NH2-OE1 3.09Å; R52-E69 PolarHBondContact NH2-OE1 3.41Å; R52-E69 VanDerWaalsContact NH2-OE1 3.09Å; E69-T71 PolarHBondContact O-N 3.49Å | ||
| 70 | Q | 31.4 | Very low | 36.1 | Very low | 172 Ų | 172 | 131.9 Ų | 131.9 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -68.7 | 113.2 | 164.8 | -71.7 | -173.9 | -3 | 0 | 0 | 108.7 | S68 S72 | S68-Q70 PolarHBondContact O-N 3.01Å; S68-Q70 VanDerWaalsContact O-N 3.08Å; Q70-S72 VanDerWaalsContact C-N 3.34Å; Q70-S72 PolarHBondContact O-N 3.38Å | ||
| 71 | T | 36 | Very low | 37.4 | Very low | 142 Ų | 142 | 133.3 Ų | 133.3 | 87% | 0.871 | 79% | 0.785 | S | S | * | * | trans | -68.6 | 86.9 | 172.2 | 40.4 | 0 | 0 | 0 | 0 | 109.8 | E69 G73 | E69-T71 PolarHBondContact O-N 3.49Å; T71-G73 PolarHBondContact O-N 3.36Å | ||
| 72 | S | 33.3 | Very low | 38.3 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | -70 | 125 | 168.8 | 61.5 | 0 | 0 | 0 | 0 | 109.2 | Q70 G74 | Q70-S72 VanDerWaalsContact C-N 3.34Å; Q70-S72 PolarHBondContact O-N 3.38Å; S72-G74 VanDerWaalsContact C-N 3.3Å; S72-G74 PolarHBondContact O-N 2.9Å | ||
| 73 | G | 29.5 | Very low | 39.2 | Very low | 80 Ų | 80 | 135.6 Ų | 135.6 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | -63.9 | 85.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T71 K75 | T71-G73 PolarHBondContact O-N 3.36Å; G73-K75 PolarHBondContact O-N 2.78Å | ||
| 74 | G | 32.9 | Very low | 40.1 | Very low | 72 Ų | 72 | 135.2 Ų | 135.2 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | trans | -76 | 98.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | S72 | S72-G74 VanDerWaalsContact C-N 3.3Å; S72-G74 PolarHBondContact O-N 2.9Å | ||
| 75 | K | 37.3 | Very low | 41.1 | Very low | 191 Ų | 191 | 133.5 Ų | 133.5 | 83% | 0.83 | 76% | 0.755 | S | S | * | * | trans | -59.1 | 142.9 | 161 | -68.4 | 171.6 | 177.3 | 172.7 | 0 | 108.6 | G73 | G73-K75 PolarHBondContact O-N 2.78Š| ||
| 76 | N | 38.8 | Very low | 42.2 | Very low | 154 Ų | 154 | 139.2 Ų | 139.2 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | trans | 103.7 | 79.5 | 165.9 | -49.3 | -19.3 | 0 | 0 | 0 | 115.9 | ||||
| 77 | M | 44 | Very low | 43.5 | Very low | 177 Ų | 177 | 136.7 Ų | 136.7 | 87% | 0.872 | 76% | 0.763 | S | S | * | * | trans | -133.5 | 114.1 | 138.8 | -68 | -168.7 | 85 | 0 | 0 | 107.4 | N79 | M77-N79 PolarHBondContact O-N 3.07Š| ||
| 78 | S | 47 | Very low | 44.6 | Very low | 110 Ų | 110 | 135.5 Ų | 135.5 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | -41.6 | 115.6 | 172.1 | 42.1 | 0 | 0 | 0 | 0 | 111.4 | C80 | S78-C80 PolarHBondContact O-N 2.94Š| ||
| 79 | N | 47.7 | Very low | 45.9 | Very low | 151 Ų | 151 | 138.5 Ų | 138.5 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | trans | -64.7 | 95.7 | 171.1 | -71.8 | -17.9 | 0 | 0 | 0 | 108.4 | M77 S81 | M77-N79 PolarHBondContact O-N 3.07Å; N79-S81 PolarHBondContact O-N 2.92Å | ||
| 80 | C | 51.2 | Low | 47 | Very low | 127 Ų | 127 | 139.5 Ų | 139.5 | 86% | 0.858 | 78% | 0.782 | S | S | * | * | trans | -63.4 | 89.5 | 160.2 | -71.7 | 0 | 0 | 0 | 0 | 107.1 | S78 Y82 | S78-C80 PolarHBondContact O-N 2.94Å; C80-Y82 PolarHBondContact O-N 3.4Å | ||
| 81 | S | 56 | Low | 48.4 | Very low | 93 Ų | 93 | 133.9 Ų | 133.9 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | trans | -80.2 | 104.6 | 172.6 | 28.1 | 0 | 0 | 0 | 0 | 106.9 | N79 Q83 | N79-S81 PolarHBondContact O-N 2.92Å; S81-Q83 VanDerWaalsContact C-N 3.31Å; S81-Q83 PolarHBondContact O-N 2.55Å | ||
| 82 | Y | 52.3 | Low | 50.1 | Low | 194 Ų | 194 | 133.1 Ų | 133.1 | 76% | 0.761 | 77% | 0.768 | S | S | * | * | trans | -72.2 | 93.1 | 164.3 | -173.3 | -99.2 | 0 | 0 | 0 | 107 | C80 Q84 | C80-Y82 PolarHBondContact O-N 3.4Å; Y82-Q84 HydrophobicContact CD1-CB 4.19Å; Y82-Q84 HydrophobicContact CE1-CB 3.86Å; Y82-Q84 HydrophobicContact CE1-CG 3.96Å; Y82-Q84 PolarHBondContact O-N 2.93Å | ||
| 83 | Q | 53 | Low | 51.6 | Low | 159 Ų | 159 | 135.3 Ų | 135.3 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | trans | -76.8 | 110.5 | 165.2 | -86.5 | 175.8 | -58.8 | 0 | 0 | 107.4 | S81 D85 | S81-Q83 VanDerWaalsContact C-N 3.31Å; S81-Q83 PolarHBondContact O-N 2.55Å; Q83-D85 PolarHBondContact O-N 3Å | ||
| 84 | Q | 53 | Low | 53.5 | Low | 110 Ų | 110 | 137.8 Ų | 137.8 | 51% | 0.514 | 77% | 0.769 | S | S | . | * | trans | -83.5 | 97.1 | 172.3 | -162.5 | 169.5 | 8.8 | 0 | 0 | 107.3 | Y82 F86 | Y82-Q84 HydrophobicContact CD1-CB 4.19Å; Y82-Q84 HydrophobicContact CE1-CB 3.86Å; Y82-Q84 HydrophobicContact CE1-CG 3.96Å; Y82-Q84 PolarHBondContact O-N 2.93Å; Q84-F86 VanDerWaalsContact C-N 3.34Å; Q84-F86 HydrophobicContact CB-CD2 4.06Å; Q84-F86 HydrophobicContact CB-CE2 3.7Å; Q84-F86 HydrophobicContact CB-CZ 4.34Å; Q84-F86 HydrophobicContact CG-CD2 3.89Å; Q84-F86 HydrophobicContact CG-CE1 4.09Å; Q84-F86 HydrophobicContact CG-CE2 3.38Å; Q84-F86 HydrophobicContact CG-CG 4.46Å; Q84-F86 HydrophobicContact CG-CZ 3.53Å; Q84-F86 WeakPolarHBondContact O-CD2 3.25Å; Q84-F86 PolarHBondContact O-N 3.39Å; Q84-F86 VanDerWaalsContact OE1-CE2 3.26Å | ||
| 85 | D | 54.1 | Low | 55.4 | Low | 148 Ų | 148 | 139.8 Ų | 139.8 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | -69 | 89.7 | 176.4 | -73.6 | -30.9 | 0 | 0 | 0 | 109.7 | Q83 G87 | Q83-D85 PolarHBondContact O-N 3Å; D85-G87 PolarHBondContact O-N 2.89Å | ||
| 86 | F | 56.9 | Low | 57.1 | Low | 157 Ų | 157 | 140.2 Ų | 140.2 | 69% | 0.689 | 77% | 0.765 | S | S | * | * | trans | -80.1 | 4 | 173.7 | -73.4 | -74.1 | 0 | 0 | 0 | 113.4 | Q84 | Q84-F86 VanDerWaalsContact C-N 3.34Å; Q84-F86 HydrophobicContact CB-CD2 4.06Å; Q84-F86 HydrophobicContact CB-CE2 3.7Å; Q84-F86 HydrophobicContact CB-CZ 4.34Å; Q84-F86 HydrophobicContact CG-CD2 3.89Å; Q84-F86 HydrophobicContact CG-CE1 4.09Å; Q84-F86 HydrophobicContact CG-CE2 3.38Å; Q84-F86 HydrophobicContact CG-CG 4.46Å; Q84-F86 HydrophobicContact CG-CZ 3.53Å; Q84-F86 WeakPolarHBondContact O-CD2 3.25Å; Q84-F86 PolarHBondContact O-N 3.39Å; Q84-F86 VanDerWaalsContact OE1-CE2 3.26Å | ||
| 87 | G | 55.8 | Low | 58.4 | Low | 68 Ų | 68 | 144 Ų | 144 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -89.2 | -37.6 | -162.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | D85 | D85-G87 PolarHBondContact O-N 2.89Š|
| 88 | E | 57.4 | Low | 59.6 | Low | 188 Ų | 188 | 140.9 Ų | 140.9 | 88% | 0.879 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -119.7 | -11.5 | -155.2 | -63.8 | -170.8 | 172.5 | 0 | 0 | 116.3 | ||
| 89 | N | 58.2 | Low | 60.5 | Low | 163 Ų | 163 | 142.5 Ų | 142.5 | 87% | 0.872 | 76% | 0.758 | S | S | * | * | trans | -108.3 | 11 | -170.6 | -103.1 | -19.3 | 0 | 0 | 0 | 116 | G91 | N89-G91 PolarHBondContact O-N 3.47Å; N89-G91 VanDerWaalsContact O-N 3.1Å | ||
| 90 | L | 61.5 | Low | 61 | Low | 162 Ų | 162 | 143 Ų | 143 | 85% | 0.848 | 76% | 0.761 | S | S | * | * | trans | -79.2 | 96.3 | 167 | -59.5 | -178.8 | 0 | 0 | 0 | 107.2 | ||||
| 91 | G | 59.8 | Low | 61.2 | Low | 55 Ų | 55 | 141.2 Ų | 141.2 | 57% | 0.567 | 76% | 0.756 | S | S | * | * | trans | -51.2 | 169.4 | 171 | 0 | 0 | 0 | 0 | 0 | 112.2 | N89 L93 | N89-G91 PolarHBondContact O-N 3.47Å; N89-G91 VanDerWaalsContact O-N 3.1Å; G91-L93 PolarHBondContact O-N 3.11Å | ||
| 92 | P | 71.6 | Confident | 61.2 | Low | 126 Ų | 126 | 142.1 Ų | 142.1 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -53.7 | 130.2 | -173.8 | 22.4 | -33.2 | 0 | 0 | 0 | 111.5 | V94 | P92-V94 PolarHBondContact O-N 3.19Š| ||
| 93 | L | 64.8 | Low | 61.3 | Low | 157 Ų | 157 | 142.7 Ų | 142.7 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | trans | -62.5 | 106.1 | 177.7 | -177.4 | 67.2 | 0 | 0 | 0 | 109.4 | G91 T95 | G91-L93 PolarHBondContact O-N 3.11Å; L93-T95 HydrophobicContact CD2-CG2 4.4Å; L93-T95 HydrophobicContact CG-CG2 4.33Å; L93-T95 PolarHBondContact O-N 3.32Å | ||
| 94 | V | 71 | Confident | 61.1 | Low | 131 Ų | 131 | 143.5 Ų | 143.5 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | -74.6 | 113.7 | 174.5 | -178.4 | 0 | 0 | 0 | 0 | 108.3 | P92 | P92-V94 PolarHBondContact O-N 3.19Š| ||
| 95 | T | 71.4 | Confident | 61 | Low | 114 Ų | 114 | 140.8 Ų | 140.8 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 130.9 | 172.3 | 54 | 0 | 0 | 0 | 0 | 109.2 | L93 | L93-T95 HydrophobicContact CD2-CG2 4.4Å; L93-T95 HydrophobicContact CG-CG2 4.33Å; L93-T95 PolarHBondContact O-N 3.32Å |
| 96 | Y | 74 | Confident | 60.8 | Low | 201 Ų | 201 | 141 Ų | 141 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 131.6 | 168.5 | 49.9 | -87.9 | 0 | 0 | 0 | 108.4 | V98 | Y96-V98 HydrophobicContact CD2-CG2 3.96Å; Y96-V98 HydrophobicContact CE2-CG2 4.02Å |
| 97 | R | 64.7 | Low | 60.6 | Low | 232 Ų | 232 | 140.7 Ų | 140.7 | 88% | 0.875 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -79 | 123.9 | 164.8 | -68.4 | -171.8 | 179.4 | -168.7 | -0.2 | 107 | D99 | R97-D99 PolarHBondContact O-N 3.14Š|
| 98 | V | 69.4 | Low | 60.2 | Low | 113 Ų | 113 | 144.8 Ų | 144.8 | 69% | 0.685 | 79% | 0.791 | S | S | * | * | trans | -77.8 | 103.9 | 167.2 | 179.1 | 0 | 0 | 0 | 0 | 105.1 | Y96 D100 | Y96-V98 HydrophobicContact CD2-CG2 3.96Å; Y96-V98 HydrophobicContact CE2-CG2 4.02Å; V98-D100 PolarHBondContact O-N 3.37Å | ||
| 99 | D | 67.4 | Low | 59.7 | Low | 143 Ų | 143 | 146.8 Ų | 146.8 | 77% | 0.765 | 79% | 0.791 | S | S | * | * | trans | -59.4 | 128.2 | 172.1 | -70.1 | -37.1 | 0 | 0 | 0 | 108.1 | R97 A101 | R97-D99 PolarHBondContact O-N 3.14Å; D99-A101 PolarHBondContact O-N 2.69Å; D99-A101 VanDerWaalsContact O-N 3.14Å | ||
| 100 | D | 58.1 | Low | 58.8 | Low | 161 Ų | 161 | 150.2 Ų | 150.2 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | trans | -44.2 | 120.3 | -171 | -71.3 | -42.9 | 0 | 0 | 0 | 111 | V98 S102 | V98-D100 PolarHBondContact O-N 3.37Å; D100-S102 PolarHBondContact O-N 2.83Å | ||
| 101 | A | 55.1 | Low | 58.7 | Low | 91 Ų | 91 | 149.7 Ų | 149.7 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | trans | -41.8 | 116.6 | 179 | 0 | 0 | 0 | 0 | 0 | 109.7 | D99 K103 | D99-A101 PolarHBondContact O-N 2.69Å; D99-A101 VanDerWaalsContact O-N 3.14Å; A101-K103 PolarHBondContact O-N 3.1Å; A101-K103 VanDerWaalsContact O-N 3.07Å | ||
| 102 | S | 56.1 | Low | 58.7 | Low | 111 Ų | 111 | 154.6 Ų | 154.6 | 78% | 0.776 | 82% | 0.82 | S | S | * | * | trans | -35.5 | 117 | 173.7 | 50.7 | 0 | 0 | 0 | 0 | 109.8 | D100 L104 | D100-S102 PolarHBondContact O-N 2.83Å; S102-L104 PolarHBondContact O-N 2.71Å | ||
| 103 | K | 53.8 | Low | 57.9 | Low | 206 Ų | 206 | 156.2 Ų | 156.2 | 90% | 0.896 | 82% | 0.82 | S | S | * | * | trans | -42 | 112.5 | 174.9 | -72.9 | -175.8 | 177.3 | -175.9 | 0 | 108.3 | A101 G105 | A101-K103 PolarHBondContact O-N 3.1Å; A101-K103 VanDerWaalsContact O-N 3.07Å; K103-G105 PolarHBondContact O-N 2.86Å | ||
| 104 | L | 49.2 | Very low | 57.5 | Low | 176 Ų | 176 | 156.2 Ų | 156.2 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | trans | -54.3 | 106.4 | 174.2 | -163.7 | 85 | 0 | 0 | 0 | 106.3 | S102 D106 | S102-L104 PolarHBondContact O-N 2.71Å; L104-D106 PolarHBondContact O-N 3.19Å | ||
| 105 | G | 51.6 | Low | 56.7 | Low | 54 Ų | 54 | 157.8 Ų | 157.8 | 56% | 0.557 | 82% | 0.822 | S | S | * | * | trans | -61.3 | 129.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | K103 N107 | K103-G105 PolarHBondContact O-N 2.86Å; G105-N107 VanDerWaalsContact C-N 3.32Å; G105-N107 PolarHBondContact O-N 3.15Å | ||
| 106 | D | 49.2 | Very low | 55.7 | Low | 153 Ų | 153 | 160.7 Ų | 160.7 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | -49.1 | 89.8 | 166.7 | -78.6 | -49.7 | 0 | 0 | 0 | 111 | L104 N108 | L104-D106 PolarHBondContact O-N 3.19Å; D106-N108 PolarHBondContact O-N 3.24Å | ||
| 107 | N | 52.5 | Low | 54.4 | Low | 149 Ų | 149 | 157.8 Ų | 157.8 | 80% | 0.797 | 83% | 0.833 | S | S | * | * | trans | -88.9 | 58.4 | 163.7 | -72.6 | -29.5 | 0 | 0 | 0 | 109 | G105 R109 | G105-N107 VanDerWaalsContact C-N 3.32Å; G105-N107 PolarHBondContact O-N 3.15Å; N107-R109 PolarHBondContact O-N 3.46Å | ||
| 108 | N | 47.7 | Very low | 53.6 | Low | 155 Ų | 155 | 152.1 Ų | 152.1 | 83% | 0.829 | 83% | 0.829 | S | S | * | * | trans | -93 | 76.7 | 163 | -129.7 | -1.8 | 0 | 0 | 0 | 106.9 | D106 | D106-N108 PolarHBondContact O-N 3.24Š| ||
| 109 | R | 47.6 | Very low | 52.3 | Low | 229 Ų | 229 | 155.3 Ų | 155.3 | 86% | 0.864 | 84% | 0.841 | S | S | * | * | trans | -107.6 | 97.4 | 170.9 | -76.2 | -173.5 | 178.4 | 170.2 | 0.8 | 108.5 | N107 | N107-R109 PolarHBondContact O-N 3.46Š| ||
| 110 | N | 39.2 | Very low | 50.9 | Low | 236 Ų | 236 | 156.5 Ų | 156.5 | 100% | 1.262 | 85% | 0.848 | S | S | * | * | trans | -7 | 0 | 149.5 | -139 | 23.5 | 0 | 0 | 0 | 116.1 |
Retrieved 110 of 110 residues in 40.5 ms
(Link to these results)