| 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 | 85.1 | Confident | 87.9 | Confident | 119 Ų | 119 | 87.4 Ų | 87.4 | 59% | 0.586 | 46% | 0.46 | S | S | * | . | 0 | 126.4 | 0 | -179.9 | 135.2 | 74.8 | 0 | 0 | 108.3 | V3 Y11 W12 I14 | M1-V3 HydrophobicContact CG-CG2 3.99Å; M1-Y11 CarbonylContact O-C 3.56Å; M1-Y11 WeakPolarHBondContact O-CA 3.44Å; M1-W12 HydrophobicContact CB-CB 4.41Å; M1-W12 HydrophobicContact CE-CE3 3.72Å; M1-W12 HydrophobicContact CE-CZ3 3.93Å; M1-W12 PolarHBondContact N-O 2.92Å; M1-W12 PolarHBondContact O-N 3.28Å; M1-I14 HydrophobicContact CB-CD1 4.37Å; M1-I14 HydrophobicContact CB-CG1 4.34Å | |||
| 2 | R | 88.4 | Confident | 87.9 | Confident | 148 Ų | 148 | 89.2 Ų | 89.2 | 56% | 0.558 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 129.8 | 172.4 | 174.5 | -177.7 | 155.9 | -157.7 | -6.2 | 107.9 | T9 Y11 | R2-T9 HydrophobicContact CG-CG2 3.57Å; R2-Y11 HydrophobicContact CB-CD1 4.03Å; R2-Y11 HydrophobicContact CB-CE1 3.96Å; R2-Y11 HydrophobicContact CG-CD1 4.3Å; R2-Y11 HydrophobicContact CG-CE1 3.9Å |
| 3 | V | 89.5 | Confident | 88 | Confident | 39 Ų | 39 | 89.7 Ų | 89.7 | 24% | 0.236 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 141.6 | 175.7 | -171.5 | 0 | 0 | 0 | 0 | 108.2 | M1 T9 Y10 | M1-V3 HydrophobicContact CG-CG2 3.99Å; V3-T9 WeakPolarHBondContact O-CA 3.4Å; V3-Y10 HydrophobicContact CB-CD1 4.12Å; V3-Y10 HydrophobicContact CB-CD2 4.13Å; V3-Y10 HydrophobicContact CB-CE1 3.61Å; V3-Y10 HydrophobicContact CB-CE2 3.64Å; V3-Y10 HydrophobicContact CB-CG 4.37Å; V3-Y10 HydrophobicContact CG1-CD1 4.48Å; V3-Y10 HydrophobicContact CG1-CE1 3.58Å; V3-Y10 HydrophobicContact CG1-CE2 4.19Å; V3-Y10 VanDerWaalsContact CG1-CZ 3.41Å; V3-Y10 VanDerWaalsContact CG1-OH 3.24Å; V3-Y10 WeakPolarHBondContact CG1-OH 3.44Å; V3-Y10 HydrophobicContact CG2-CE2 3.89Å; V3-Y10 PolarHBondContact N-O 3.27Å; V3-Y10 PolarHBondContact O-N 3.09Å; V3-Y10 VanDerWaalsContact O-O 3.08Å |
| 4 | Q | 91 | Very high | 87.7 | Confident | 126 Ų | 126 | 91.9 Ų | 91.9 | 59% | 0.589 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 124 | -177.9 | -170.5 | 167.1 | 77.5 | 0 | 0 | 108.1 | G8 T9 | Q4-G8 WeakPolarHBondContact CA-O 3.25Å; Q4-T9 PolarHBondContact NE2-OG1 3.4Å |
| 5 | D | 88.7 | Confident | 87.6 | Confident | 98 Ų | 98 | 93 Ų | 93 | 52% | 0.524 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | -179.5 | -178.4 | -164.1 | -96.7 | 0 | 0 | 0 | 110.4 | S7 G8 | D5-S7 PolarHBondContact O-N 2.95Å; D5-S7 VanDerWaalsContact O-N 3.14Å; D5-G8 PolarHBondContact N-O 3.3Å; D5-G8 PolarHBondContact O-N 3.3Å |
| 6 | T | 85.5 | Confident | 87.1 | Confident | 137 Ų | 137 | 92.5 Ų | 92.5 | 84% | 0.84 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -27.6 | 174.2 | 59.3 | 0 | 0 | 0 | 0 | 113.4 | ||
| 7 | S | 79.9 | Confident | 87.2 | Confident | 97 Ų | 97 | 89.9 Ų | 89.9 | 68% | 0.678 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -3.2 | 178.9 | -57.3 | 0 | 0 | 0 | 0 | 114.3 | D5 | D5-S7 PolarHBondContact O-N 2.95Å; D5-S7 VanDerWaalsContact O-N 3.14Å |
| 8 | G | 86.5 | Confident | 87 | Confident | 30 Ų | 30 | 89.6 Ų | 89.6 | 31% | 0.309 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 119.4 | -160.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q4 D5 | Q4-G8 WeakPolarHBondContact CA-O 3.25Å; D5-G8 PolarHBondContact N-O 3.3Å; D5-G8 PolarHBondContact O-N 3.3Å |
| 9 | T | 90.5 | Very high | 87.1 | Confident | 39 Ų | 39 | 89.9 Ų | 89.9 | 24% | 0.239 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 130.7 | -176.5 | -52.1 | 0 | 0 | 0 | 0 | 110.1 | R2 V3 Q4 Y11 | R2-T9 HydrophobicContact CG-CG2 3.57Å; V3-T9 WeakPolarHBondContact O-CA 3.4Å; Q4-T9 PolarHBondContact NE2-OG1 3.4Å; T9-Y11 HydrophobicContact CG2-CE2 4.14Å |
| 10 | Y | 89.9 | Confident | 87.2 | Confident | 70 Ų | 70 | 89.8 Ų | 89.8 | 28% | 0.275 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 154.7 | 173.6 | 66.3 | -86.3 | 0 | 0 | 0 | 111.6 | V3 W21 | V3-Y10 HydrophobicContact CB-CD1 4.12Å; V3-Y10 HydrophobicContact CB-CD2 4.13Å; V3-Y10 HydrophobicContact CB-CE1 3.61Å; V3-Y10 HydrophobicContact CB-CE2 3.64Å; V3-Y10 HydrophobicContact CB-CG 4.37Å; V3-Y10 HydrophobicContact CG1-CD1 4.48Å; V3-Y10 HydrophobicContact CG1-CE1 3.58Å; V3-Y10 HydrophobicContact CG1-CE2 4.19Å; V3-Y10 VanDerWaalsContact CG1-CZ 3.41Å; V3-Y10 VanDerWaalsContact CG1-OH 3.24Å; V3-Y10 WeakPolarHBondContact CG1-OH 3.44Å; V3-Y10 HydrophobicContact CG2-CE2 3.89Å; V3-Y10 PolarHBondContact N-O 3.27Å; V3-Y10 PolarHBondContact O-N 3.09Å; V3-Y10 VanDerWaalsContact O-O 3.08Å; Y10-W21 HydrophobicContact CD1-CZ3 4.34Å |
| 11 | Y | 91.4 | Very high | 87.1 | Confident | 58 Ų | 58 | 93.5 Ų | 93.5 | 23% | 0.227 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 118.4 | -177.1 | -61.7 | -94.2 | 0 | 0 | 0 | 108.6 | M1 R2 T9 T19 Q20 E22 P23 P24 | M1-Y11 CarbonylContact O-C 3.56Å; M1-Y11 WeakPolarHBondContact O-CA 3.44Å; R2-Y11 HydrophobicContact CB-CD1 4.03Å; R2-Y11 HydrophobicContact CB-CE1 3.96Å; R2-Y11 HydrophobicContact CG-CD1 4.3Å; R2-Y11 HydrophobicContact CG-CE1 3.9Å; T9-Y11 HydrophobicContact CG2-CE2 4.14Å; Y11-T19 CarbonylContact O-C 3.6Å; Y11-T19 WeakPolarHBondContact O-CA 3.48Å; Y11-Q20 PolarHBondContact N-O 3.39Å; Y11-Q20 PolarHBondContact O-N 2.96Å; Y11-E22 WeakPolarHBondContact CD2-O 3.46Å; Y11-P23 VanDerWaalsContact CE2-CA 3.42Å; Y11-P23 HydrophobicContact CE2-CB 3.99Å; Y11-P24 VanDerWaalsContact CD1-CD 3.44Å; Y11-P24 HydrophobicContact CD1-CG 4.11Å; Y11-P24 HydrophobicContact CE1-CG 4.47Å |
| 12 | W | 88.6 | Confident | 87.1 | Confident | 109 Ų | 109 | 94.4 Ų | 94.4 | 41% | 0.413 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 124.2 | 177.3 | -177.4 | 17.2 | 0 | 0 | 0 | 110.4 | M1 T19 | M1-W12 HydrophobicContact CB-CB 4.41Å; M1-W12 HydrophobicContact CE-CE3 3.72Å; M1-W12 HydrophobicContact CE-CZ3 3.93Å; M1-W12 PolarHBondContact N-O 2.92Å; M1-W12 PolarHBondContact O-N 3.28Å; W12-T19 HydrophobicContact CB-CG2 4.45Å; W12-T19 HydrophobicContact CG-CG2 4.43Å |
| 13 | H | 88.6 | Confident | 86.6 | Confident | 96 Ų | 96 | 91.2 Ų | 91.2 | 44% | 0.444 | 50% | 0.497 | S | S | . | . | trans | -89.1 | 107.9 | 172.3 | -163.9 | -126.2 | 0 | 0 | 0 | 110.2 | P15 T16 G17 T18 | H13-P15 WeakPolarHBondContact CE1-CG 3.49Å; H13-T16 WeakPolarHBondContact CB-OG1 3.43Å; H13-T16 WeakPolarHBondContact ND1-CG2 3Å; H13-T16 PolarHBondContact ND1-OG1 3.47Å; H13-T16 PolarHBondContact O-N 3.29Å; H13-G17 WeakPolarHBondContact O-CA 3.34Å; H13-G17 PolarHBondContact O-N 3.07Å; H13-T18 PolarHBondContact N-O 3.21Å | ||
| 14 | I | 84.8 | Confident | 85.8 | Confident | 120 Ų | 120 | 93.2 Ų | 93.2 | 62% | 0.615 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -44.9 | -174.8 | -58.3 | 171.9 | 0 | 0 | 0 | 113 | M1 | M1-I14 HydrophobicContact CB-CD1 4.37Å; M1-I14 HydrophobicContact CB-CG1 4.34Å |
| 15 | P | 85 | Confident | 84.8 | Confident | 109 Ų | 109 | 90.4 Ų | 90.4 | 71% | 0.708 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -27 | -174.5 | 28.9 | -33.5 | 0 | 0 | 0 | 114.1 | H13 | H13-P15 WeakPolarHBondContact CE1-CG 3.49Š|
| 16 | T | 80.9 | Confident | 83 | Confident | 85 Ų | 85 | 97.4 Ų | 97.4 | 52% | 0.521 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -12.7 | 179.7 | 59.8 | 0 | 0 | 0 | 0 | 113.3 | H13 T18 | H13-T16 WeakPolarHBondContact CB-OG1 3.43Å; H13-T16 WeakPolarHBondContact ND1-CG2 3Å; H13-T16 PolarHBondContact ND1-OG1 3.47Å; H13-T16 PolarHBondContact O-N 3.29Å; T16-T18 PolarHBondContact O-N 3.26Å; T16-T18 PolarHBondContact OG1-OG1 3.31Å |
| 17 | G | 88 | Confident | 81.1 | Confident | 49 Ų | 49 | 95.3 Ų | 95.3 | 51% | 0.505 | 53% | 0.531 | S | S | . | . | trans | 70.2 | 8.5 | -176 | 0 | 0 | 0 | 0 | 0 | 114.6 | H13 | H13-G17 WeakPolarHBondContact O-CA 3.34Å; H13-G17 PolarHBondContact O-N 3.07Å | ||
| 18 | T | 83.7 | Confident | 79.2 | Confident | 84 Ų | 84 | 94.9 Ų | 94.9 | 52% | 0.515 | 53% | 0.529 | S | S | . | . | trans | -84 | 146.2 | -177.6 | 51.1 | 0 | 0 | 0 | 0 | 112 | H13 T16 | H13-T18 PolarHBondContact N-O 3.21Å; T16-T18 PolarHBondContact O-N 3.26Å; T16-T18 PolarHBondContact OG1-OG1 3.31Å | ||
| 19 | T | 89.3 | Confident | 77.2 | Confident | 95 Ų | 95 | 100.2 Ų | 100.2 | 58% | 0.583 | 56% | 0.558 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -115.3 | 138.2 | 176.5 | 49.4 | 0 | 0 | 0 | 0 | 110.6 | Y11 W12 | Y11-T19 CarbonylContact O-C 3.6Å; Y11-T19 WeakPolarHBondContact O-CA 3.48Å; W12-T19 HydrophobicContact CB-CG2 4.45Å; W12-T19 HydrophobicContact CG-CG2 4.43Å |
| 20 | Q | 87.8 | Confident | 75 | Confident | 87 Ų | 87 | 102.5 Ų | 102.5 | 41% | 0.407 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -133 | 140.6 | 178 | -175 | 179.4 | 27.3 | 0 | 0 | 109.8 | Y11 E22 | Y11-Q20 PolarHBondContact N-O 3.39Å; Y11-Q20 PolarHBondContact O-N 2.96Å; Q20-E22 HydrophobicContact CG-CB 4.19Å; Q20-E22 WeakPolarHBondContact CG-O 3.38Å |
| 21 | W | 87.1 | Confident | 72.6 | Confident | 168 Ų | 168 | 108.3 Ų | 108.3 | 64% | 0.636 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -87.2 | -31.2 | 176.7 | -66.2 | 102.8 | 0 | 0 | 0 | 112.7 | Y10 | Y10-W21 HydrophobicContact CD1-CZ3 4.34Š|
| 22 | E | 83.4 | Confident | 70.3 | Confident | 138 Ų | 138 | 109.3 Ų | 109.3 | 65% | 0.645 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -74.6 | 142 | 174.9 | -67.8 | -179 | 105.4 | 0 | 0 | 111.5 | Y11 Q20 | Y11-E22 WeakPolarHBondContact CD2-O 3.46Å; Q20-E22 HydrophobicContact CG-CB 4.19Å; Q20-E22 WeakPolarHBondContact CG-O 3.38Å |
| 23 | P | 78.1 | Confident | 67.9 | Low | 81 Ų | 81 | 109.6 Ų | 109.6 | 53% | 0.526 | 65% | 0.652 | S | S | . | * | P | Polyproline II helix | trans | -61.1 | 131.5 | 172.3 | 25.3 | -31.5 | 0 | 0 | 0 | 109.2 | Y11 G25 | Y11-P23 VanDerWaalsContact CE2-CA 3.42Å; Y11-P23 HydrophobicContact CE2-CB 3.99Å; P23-G25 PolarHBondContact O-N 3.16Å |
| 24 | P | 74.1 | Confident | 65.6 | Low | 81 Ų | 81 | 110.8 Ų | 110.8 | 53% | 0.526 | 67% | 0.671 | S | S | . | * | P | Polyproline II helix | trans | -54.1 | 118.4 | 174.8 | 20.4 | -30.4 | 0 | 0 | 0 | 107.6 | Y11 R26 | Y11-P24 VanDerWaalsContact CD1-CD 3.44Å; Y11-P24 HydrophobicContact CD1-CG 4.11Å; Y11-P24 HydrophobicContact CE1-CG 4.47Å; P24-R26 PolarHBondContact O-N 3.3Å |
| 25 | G | 69.6 | Low | 63.7 | Low | 68 Ų | 68 | 110.9 Ų | 110.9 | 70% | 0.701 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 134.3 | -165.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | P23 A27 | P23-G25 PolarHBondContact O-N 3.16Å; G25-A27 VanDerWaalsContact C-N 3.3Å; G25-A27 PolarHBondContact O-N 3.15Å |
| 26 | R | 50.3 | Low | 61.4 | Low | 245 Ų | 245 | 113.8 Ų | 113.8 | 93% | 0.925 | 68% | 0.683 | S | S | * | * | trans | -58 | 97.4 | 175.2 | -164.5 | 180 | -155.7 | -143.3 | 5.3 | 107.2 | P24 S28 | P24-R26 PolarHBondContact O-N 3.3Å; R26-S28 PolarHBondContact O-N 3.22Å | ||
| 27 | A | 45.7 | Very low | 59.6 | Low | 92 Ų | 92 | 118.4 Ų | 118.4 | 76% | 0.76 | 70% | 0.699 | S | S | * | * | trans | -56.8 | 104.8 | 173 | 0 | 0 | 0 | 0 | 0 | 107.1 | G25 | G25-A27 VanDerWaalsContact C-N 3.3Å; G25-A27 PolarHBondContact O-N 3.15Å | ||
| 28 | S | 40.1 | Very low | 57.4 | Low | 89 Ų | 89 | 124.6 Ų | 124.6 | 62% | 0.622 | 72% | 0.715 | S | S | * | * | trans | -56.2 | 129.9 | 166.7 | -69 | 0 | 0 | 0 | 0 | 107 | R26 S30 | R26-S28 PolarHBondContact O-N 3.22Å; S28-S30 PolarHBondContact O-N 2.59Å | ||
| 29 | P | 44.4 | Very low | 55.5 | Low | 142 Ų | 142 | 125.2 Ų | 125.2 | 92% | 0.922 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -73.5 | 20.7 | -173.5 | 31 | -36.4 | 0 | 0 | 0 | 113.6 | ||
| 30 | S | 43.5 | Very low | 52.9 | Low | 87 Ų | 87 | 129.1 Ų | 129.1 | 61% | 0.608 | 73% | 0.734 | S | S | * | * | trans | -131.4 | 102.9 | 178.9 | 58.9 | 0 | 0 | 0 | 0 | 107.6 | S28 | S28-S30 PolarHBondContact O-N 2.59Š| ||
| 31 | Q | 39.5 | Very low | 51 | Low | 191 Ų | 191 | 132.9 Ų | 132.9 | 89% | 0.893 | 76% | 0.756 | S | S | * | * | trans | 144 | 90.9 | 146.2 | -71.6 | -151.6 | -38.3 | 0 | 0 | 108.6 | S33 | Q31-S33 PolarHBondContact O-N 3.04Š| ||
| 32 | G | 44.1 | Very low | 48.7 | Very low | 79 Ų | 79 | 129.1 Ų | 129.1 | 81% | 0.814 | 75% | 0.752 | S | S | * | * | trans | -64.5 | 121.7 | 156 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 33 | S | 39 | Very low | 46.6 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | 177 | 112.3 | 153.8 | -88.8 | 0 | 0 | 0 | 0 | 107.1 | Q31 | Q31-S33 PolarHBondContact O-N 3.04Š| ||
| 34 | S | 38.8 | Very low | 45.3 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | trans | -54.5 | 143.4 | 157 | -48.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 35 | P | 46.1 | Very low | 43.7 | Very low | 121 Ų | 121 | 135 Ų | 135 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | -136.1 | 179.6 | 63.6 | 34.1 | -13.1 | 0 | 0 | 0 | 110.2 | |||||
| 36 | Q | 35.3 | Very low | 42.1 | Very low | 171 Ų | 171 | 141.6 Ų | 141.6 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | cis | -164.6 | 143.1 | 36 | -177.9 | 178.1 | -67.9 | 0 | 0 | 105.2 | E38 | Q36-E38 PolarHBondContact O-N 3.42Š| ||
| 37 | E | 44.1 | Very low | 41.7 | Very low | 181 Ų | 181 | 133.5 Ų | 133.5 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | -27.5 | 100.6 | 159.8 | -171.5 | 172.7 | 94.7 | 0 | 0 | 112.1 | S39 | E37-S39 PolarHBondContact O-N 2.76Å; E37-S39 VanDerWaalsContact O-N 3.13Å | ||
| 38 | E | 40.6 | Very low | 41.6 | Very low | 180 Ų | 180 | 138.3 Ų | 138.3 | 84% | 0.841 | 78% | 0.783 | S | S | * | * | trans | -80.8 | 97.2 | 171.9 | 82.5 | -166.4 | 105.1 | 0 | 0 | 107 | Q36 Q40 | Q36-E38 PolarHBondContact O-N 3.42Å; E38-Q40 PolarHBondContact O-N 3.01Å | ||
| 39 | S | 43.7 | Very low | 41.4 | Very low | 97 Ų | 97 | 143 Ų | 143 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | trans | 8.2 | 97.9 | 156.3 | -53.8 | 0 | 0 | 0 | 0 | 114 | E37 L41 | E37-S39 PolarHBondContact O-N 2.76Å; E37-S39 VanDerWaalsContact O-N 3.13Å; S39-L41 PolarHBondContact O-N 3.25Å | ||
| 40 | Q | 35.2 | Very low | 40.9 | Very low | 176 Ų | 176 | 145.2 Ų | 145.2 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | -44.7 | 115.2 | 152.4 | -64.6 | -166.3 | 63.2 | 0 | 0 | 106.8 | E38 T42 | E38-Q40 PolarHBondContact O-N 3.01Å; Q40-T42 HydrophobicContact CB-CG2 4.43Å; Q40-T42 PolarHBondContact O-N 2.89Å | ||
| 41 | L | 47.7 | Very low | 41 | Very low | 167 Ų | 167 | 145.1 Ų | 145.1 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -63.3 | 81.2 | 172.3 | -64.4 | 168.4 | 0 | 0 | 0 | 107 | S39 | S39-L41 PolarHBondContact O-N 3.25Š| ||
| 42 | T | 40.3 | Very low | 40.5 | Very low | 89 Ų | 89 | 144.1 Ų | 144.1 | 55% | 0.546 | 80% | 0.799 | S | S | . | * | trans | -73.1 | 124.6 | 168.9 | 50.1 | 0 | 0 | 0 | 0 | 105.5 | Q40 T44 G45 | Q40-T42 HydrophobicContact CB-CG2 4.43Å; Q40-T42 PolarHBondContact O-N 2.89Å; T42-T44 VanDerWaalsContact CB-OG1 3.24Å; T42-T44 WeakPolarHBondContact CB-OG1 3.32Å; T42-T44 PolarHBondContact O-N 3.37Å; T42-T44 PolarHBondContact OG1-OG1 3.11Å; T42-G45 PolarHBondContact O-N 3.4Å | ||
| 43 | W | 39.3 | Very low | 40.1 | Very low | 252 Ų | 252 | 147.8 Ų | 147.8 | 96% | 0.955 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | 10.7 | 174.5 | -76.9 | 74.7 | 0 | 0 | 0 | 113.5 | ||
| 44 | T | 49.5 | Very low | 40 | Very low | 99 Ų | 99 | 151 Ų | 151 | 61% | 0.607 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | 2 | -178.2 | 51.4 | 0 | 0 | 0 | 0 | 113.8 | T42 F46 A47 | T42-T44 VanDerWaalsContact CB-OG1 3.24Å; T42-T44 WeakPolarHBondContact CB-OG1 3.32Å; T42-T44 PolarHBondContact O-N 3.37Å; T42-T44 PolarHBondContact OG1-OG1 3.11Å; T44-F46 PolarHBondContact O-N 2.8Å; T44-A47 PolarHBondContact O-N 3.36Å |
| 45 | G | 40.2 | Very low | 40.3 | Very low | 72 Ų | 72 | 148.8 Ų | 148.8 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 1.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | T42 | T42-G45 PolarHBondContact O-N 3.4Š|
| 46 | F | 36.8 | Very low | 40.2 | Very low | 206 Ų | 206 | 150.7 Ų | 150.7 | 90% | 0.904 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -1.5 | 174.6 | -72 | -79.7 | 0 | 0 | 0 | 113.9 | T44 | T44-F46 PolarHBondContact O-N 2.8Š|
| 47 | A | 41.3 | Very low | 40.5 | Very low | 76 Ų | 76 | 150.3 Ų | 150.3 | 63% | 0.628 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -113.4 | 39.7 | -165.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | T44 | T44-A47 PolarHBondContact O-N 3.36Š|
| 48 | H | 44.4 | Very low | 40.4 | Very low | 192 Ų | 192 | 152.4 Ų | 152.4 | 89% | 0.889 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -161 | 97.2 | 159.9 | -109.7 | 75.6 | 0 | 0 | 0 | 110.4 | ||
| 49 | Q | 34.8 | Very low | 40 | Very low | 189 Ų | 189 | 152.4 Ų | 152.4 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 158.8 | 83.3 | 131.4 | -173.1 | 177.8 | -3.7 | 0 | 0 | 110.4 | ||
| 50 | E | 35.5 | Very low | 39.8 | Very low | 188 Ų | 188 | 154.2 Ų | 154.2 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | -166.9 | 123.7 | 132.7 | 53.8 | -167.4 | 149.9 | 0 | 0 | 108.3 | ||||
| 51 | G | 45.1 | Very low | 39.8 | Very low | 85 Ų | 85 | 154.9 Ų | 154.9 | 88% | 0.876 | 79% | 0.791 | S | S | * | * | trans | -80.1 | 126.6 | 178 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 52 | F | 28.2 | Very low | 39.6 | Very low | 170 Ų | 170 | 152 Ų | 152 | 75% | 0.746 | 78% | 0.782 | S | S | * | * | trans | -164 | 108.7 | 159.3 | 172.1 | -107.1 | 0 | 0 | 0 | 108.4 | ||||
| 53 | E | 35.7 | Very low | 39.2 | Very low | 155 Ų | 155 | 152.4 Ų | 152.4 | 72% | 0.724 | 79% | 0.788 | S | S | * | * | trans | 47.1 | 93.9 | 149.9 | -54.3 | -171.7 | 156.7 | 0 | 0 | 117.2 | ||||
| 54 | E | 36.8 | Very low | 39 | Very low | 183 Ų | 183 | 149.3 Ų | 149.3 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | 58.7 | 85.8 | 100.8 | -160.5 | -177.8 | 170.7 | 0 | 0 | 114.4 | |||||
| 55 | G | 46.1 | Very low | 38.2 | Very low | 76 Ų | 76 | 153.6 Ų | 153.6 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | 51.5 | 74.8 | 126.9 | 0 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 56 | E | 43.4 | Very low | 37.9 | Very low | 161 Ų | 161 | 154.8 Ų | 154.8 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | trans | -147.6 | 34.3 | 168.5 | -61.1 | -165.4 | 124.7 | 0 | 0 | 115.6 | ||||
| 57 | F | 42.5 | Very low | 38.3 | Very low | 162 Ų | 162 | 150.2 Ų | 150.2 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -94.4 | -14.8 | -179 | -168.4 | -113.7 | 0 | 0 | 0 | 116.1 | ||
| 58 | W | 41.2 | Very low | 37.8 | Very low | 226 Ų | 226 | 155.8 Ų | 155.8 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | trans | -126 | 32.5 | -177.3 | -57.6 | 110.3 | 0 | 0 | 0 | 113.8 | D60 | W58-D60 PolarHBondContact O-N 3.46Š| ||
| 59 | K | 33.3 | Very low | 37.5 | Very low | 179 Ų | 179 | 155.3 Ų | 155.3 | 78% | 0.778 | 81% | 0.805 | S | S | * | * | trans | -75.6 | 95.7 | 175.4 | -162.8 | 169.3 | 165.9 | -172.9 | 0 | 109.6 | ||||
| 60 | D | 37.6 | Very low | 37.3 | Very low | 136 Ų | 136 | 155.1 Ų | 155.1 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | -20.3 | 128.3 | 155.6 | -147.8 | -103.9 | 0 | 0 | 0 | 113.1 | W58 P62 | W58-D60 PolarHBondContact O-N 3.46Å; D60-P62 VanDerWaalsContact O-CD 3.25Å; D60-P62 WeakPolarHBondContact O-CD 3.39Å | ||
| 61 | E | 35.2 | Very low | 37 | Very low | 190 Ų | 190 | 149.5 Ų | 149.5 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | -100.8 | 104.9 | 169 | -178.7 | 173 | 79.3 | 0 | 0 | 108.9 | ||||
| 62 | P | 44.6 | Very low | 37 | Very low | 107 Ų | 107 | 153.9 Ų | 153.9 | 70% | 0.695 | 80% | 0.804 | S | S | * | * | trans | -102.1 | 119.3 | 163.1 | 34.4 | -26.5 | 0 | 0 | 0 | 109.5 | D60 | D60-P62 VanDerWaalsContact O-CD 3.25Å; D60-P62 WeakPolarHBondContact O-CD 3.39Å | ||
| 63 | S | 31.7 | Very low | 37.1 | Very low | 96 Ų | 96 | 155.1 Ų | 155.1 | 67% | 0.671 | 81% | 0.809 | S | S | * | * | trans | -160 | 92.8 | 156.6 | -167.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 64 | E | 36 | Very low | 37 | Very low | 187 Ų | 187 | 155 Ų | 155 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | 54.9 | 95.5 | 95.3 | -77.6 | -161.9 | 92.3 | 0 | 0 | 113.8 | |||||
| 65 | E | 32.7 | Very low | 37.4 | Very low | 189 Ų | 189 | 150.8 Ų | 150.8 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | -141.7 | 78.3 | 147.7 | 39.8 | -165.1 | 93.1 | 0 | 0 | 110.1 | ||||
| 66 | A | 33.8 | Very low | 37 | Very low | 97 Ų | 97 | 155 Ų | 155 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | 42 | 154.2 | 134.4 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 67 | P | 44.1 | Very low | 36.6 | Very low | 110 Ų | 110 | 156 Ų | 156 | 71% | 0.714 | 81% | 0.806 | S | S | * | * | trans | -104.7 | 149 | -146.7 | 38 | -28.9 | 0 | 0 | 0 | 113.8 | ||||
| 68 | M | 32.2 | Very low | 36.3 | Very low | 194 Ų | 194 | 152.6 Ų | 152.6 | 96% | 0.956 | 81% | 0.808 | S | S | * | * | trans | -145.7 | 111.8 | 152.8 | -67.6 | -169 | -79.4 | 0 | 0 | 110.6 | ||||
| 69 | E | 37.1 | Very low | 36.5 | Very low | 182 Ų | 182 | 147.9 Ų | 147.9 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | trans | -70.6 | 139.4 | 170.2 | -55.3 | -147.3 | 95.6 | 0 | 0 | 111.4 | ||||
| 70 | L | 30.7 | Very low | 37.1 | Very low | 184 Ų | 184 | 147.2 Ų | 147.2 | 96% | 0.963 | 81% | 0.808 | S | S | * | * | trans | 179.3 | 121.5 | 135.1 | -113.6 | 138.4 | 0 | 0 | 0 | 110.7 | ||||
| 71 | G | 28.6 | Very low | 37.2 | Very low | 71 Ų | 71 | 145.8 Ų | 145.8 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | trans | 146 | 56.5 | 155.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | K73 | G71-K73 PolarHBondContact O-N 3.07Š| ||
| 72 | L | 45 | Very low | 37.4 | Very low | 176 Ų | 176 | 145.8 Ų | 145.8 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | -51.8 | 125.9 | 152.3 | -81 | 163.9 | 0 | 0 | 0 | 109.5 | ||||
| 73 | K | 31.8 | Very low | 37 | Very low | 196 Ų | 196 | 146.1 Ų | 146.1 | 85% | 0.852 | 81% | 0.809 | S | S | * | * | trans | -168.9 | 88.5 | 160 | -105.9 | 160.5 | 154 | -165.2 | 0 | 110.2 | G71 | G71-K73 PolarHBondContact O-N 3.07Š| ||
| 74 | D | 33.7 | Very low | 37.4 | Very low | 153 Ų | 153 | 145.9 Ų | 145.9 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -55.4 | 142.9 | 138.5 | -97.2 | -96.5 | 0 | 0 | 0 | 108.3 | ||||
| 75 | P | 45.1 | Very low | 37.5 | Very low | 95 Ų | 95 | 145.6 Ų | 145.6 | 62% | 0.617 | 81% | 0.811 | S | S | * | * | -148.5 | 135.1 | 98.2 | 33.3 | -13.6 | 0 | 0 | 0 | 115.3 | |||||
| 76 | E | 35.9 | Very low | 38.2 | Very low | 163 Ų | 163 | 141.8 Ų | 141.8 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | 40.3 | 133.2 | 133.7 | 77 | -142.7 | 63.4 | 0 | 0 | 122.8 | ||||
| 77 | E | 35.8 | Very low | 38.3 | Very low | 183 Ų | 183 | 144.7 Ų | 144.7 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | trans | 80.5 | 93.2 | 140 | -146.1 | 178.8 | 109 | 0 | 0 | 119.3 | ||||
| 78 | A | 35.8 | Very low | 38.1 | Very low | 90 Ų | 90 | 144.3 Ų | 144.3 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | trans | -150.3 | 82.2 | 143.4 | 0 | 0 | 0 | 0 | 0 | 110 | L80 | A78-L80 PolarHBondContact O-N 2.95Å; A78-L80 VanDerWaalsContact O-N 3.15Å | ||
| 79 | T | 46 | Very low | 38.5 | Very low | 128 Ų | 128 | 140.8 Ų | 140.8 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -53.8 | 111.1 | 155.3 | -62.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 80 | L | 45.1 | Very low | 38.4 | Very low | 165 Ų | 165 | 140 Ų | 140 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -125.3 | 104.1 | 158.2 | -72.1 | -180 | 0 | 0 | 0 | 109.4 | A78 | A78-L80 PolarHBondContact O-N 2.95Å; A78-L80 VanDerWaalsContact O-N 3.15Å | ||
| 81 | S | 40.2 | Very low | 38.9 | Very low | 105 Ų | 105 | 137 Ų | 137 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | -51.8 | 137 | 171.2 | 180 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 82 | F | 38.9 | Very low | 39.3 | Very low | 190 Ų | 190 | 140 Ų | 140 | 83% | 0.833 | 79% | 0.79 | S | S | * | * | trans | -44.6 | 157.2 | 170.4 | -61.8 | -89.3 | 0 | 0 | 0 | 113.7 | ||||
| 83 | P | 38 | Very low | 39 | Very low | 115 Ų | 115 | 137 Ų | 137 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | -118.5 | 122.7 | 117.8 | 31.9 | -27.2 | 0 | 0 | 0 | 110.9 | Q85 | P83-Q85 PolarHBondContact O-N 2.89Š| |||
| 84 | A | 39.2 | Very low | 39.6 | Very low | 91 Ų | 91 | 135.2 Ų | 135.2 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | trans | -62.9 | 112.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | S86 | A84-S86 VanDerWaalsContact C-N 3.35Å; A84-S86 PolarHBondContact O-N 3.33Å | ||
| 85 | Q | 38.9 | Very low | 40 | Very low | 180 Ų | 180 | 136 Ų | 136 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | trans | -83.1 | 91 | 164.7 | -64 | -166.2 | 84.9 | 0 | 0 | 107.6 | P83 L87 | P83-Q85 PolarHBondContact O-N 2.89Å; Q85-L87 PolarHBondContact O-N 3.46Å | ||
| 86 | S | 46.3 | Very low | 40 | Very low | 109 Ų | 109 | 141 Ų | 141 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -61.8 | 106.1 | 162.8 | 168.4 | 0 | 0 | 0 | 0 | 108.7 | A84 | A84-S86 VanDerWaalsContact C-N 3.35Å; A84-S86 PolarHBondContact O-N 3.33Å | ||
| 87 | L | 36.9 | Very low | 40.5 | Very low | 158 Ų | 158 | 139.7 Ų | 139.7 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | -130.2 | 106.3 | 158.3 | -70.5 | 176.1 | 0 | 0 | 0 | 108.3 | Q85 | Q85-L87 PolarHBondContact O-N 3.46Š| ||
| 88 | S | 39.6 | Very low | 40.7 | Very low | 102 Ų | 102 | 140 Ų | 140 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | trans | -47.5 | 130.7 | 172.3 | -159.3 | 0 | 0 | 0 | 0 | 111.8 | E90 | S88-E90 PolarHBondContact O-N 3.18Š| ||
| 89 | P | 40.3 | Very low | 41.1 | Very low | 121 Ų | 121 | 144 Ų | 144 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | -78.2 | 93.8 | 155.4 | 29.6 | -27 | 0 | 0 | 0 | 107.7 | ||||
| 90 | E | 35.1 | Very low | 41 | Very low | 166 Ų | 166 | 144 Ų | 144 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -57.6 | 132.1 | 163.4 | -166.6 | 147.8 | 74.7 | 0 | 0 | 108.6 | S88 V92 | S88-E90 PolarHBondContact O-N 3.18Å; E90-V92 PolarHBondContact O-N 2.77Å | ||
| 91 | P | 41.8 | Very low | 41.2 | Very low | 121 Ų | 121 | 145 Ų | 145 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | trans | -69.5 | 107.3 | -173.5 | 26.6 | -33.8 | 0 | 0 | 0 | 110 | ||||
| 92 | V | 36.3 | Very low | 41.8 | Very low | 133 Ų | 133 | 150.8 Ų | 150.8 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | trans | -64.4 | 138.8 | 169.4 | -81.3 | 0 | 0 | 0 | 0 | 110.1 | E90 Q94 | E90-V92 PolarHBondContact O-N 2.77Å; V92-Q94 PolarHBondContact O-N 3.13Å | ||
| 93 | P | 38.6 | Very low | 42.6 | Very low | 112 Ų | 112 | 146.9 Ų | 146.9 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -64.1 | 128.8 | -171.3 | -18.1 | 30.9 | 0 | 0 | 0 | 112.4 | E95 | P93-E95 PolarHBondContact O-N 2.67Å; P93-E95 VanDerWaalsContact O-N 3.12Å | ||
| 94 | Q | 43.3 | Very low | 43.4 | Very low | 159 Ų | 159 | 146.4 Ų | 146.4 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | trans | -45.7 | 99.5 | 160.5 | -179 | -175.3 | -16 | 0 | 0 | 112.1 | V92 E97 | V92-Q94 PolarHBondContact O-N 3.13Å; Q94-E97 VanDerWaalsContact CD-OE2 3.23Å; Q94-E97 WeakPolarHBondContact CG-OE2 3.41Å; Q94-E97 PolarHBondContact NE2-OE2 2.94Å | ||
| 95 | E | 43.6 | Very low | 44.6 | Very low | 171 Ų | 171 | 146.3 Ų | 146.3 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | trans | -150 | 39.4 | 159.1 | 68 | 178 | 91.4 | 0 | 0 | 114.9 | P93 | P93-E95 PolarHBondContact O-N 2.67Å; P93-E95 VanDerWaalsContact O-N 3.12Å | ||
| 96 | E | 43.5 | Very low | 45.8 | Very low | 198 Ų | 198 | 144.6 Ų | 144.6 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | trans | -134.7 | 44 | 161.3 | -70.1 | -160.8 | 94 | 0 | 0 | 112 | K98 | E96-K98 PolarHBondContact O-N 3.01Š| ||
| 97 | E | 46.6 | Very low | 47.2 | Very low | 137 Ų | 137 | 142.8 Ų | 142.8 | 64% | 0.64 | 78% | 0.784 | S | S | * | * | trans | -95.1 | 78.8 | 167.3 | -76.6 | -174.5 | 93.6 | 0 | 0 | 110.7 | Q94 | Q94-E97 VanDerWaalsContact CD-OE2 3.23Å; Q94-E97 WeakPolarHBondContact CG-OE2 3.41Å; Q94-E97 PolarHBondContact NE2-OE2 2.94Å | ||
| 98 | K | 40.8 | Very low | 49.4 | Very low | 188 Ų | 188 | 140.2 Ų | 140.2 | 82% | 0.817 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -157.9 | 35.1 | 156 | -144.1 | 171.5 | 169.4 | -75.6 | 0 | 118.2 | E96 | E96-K98 PolarHBondContact O-N 3.01Š|
| 99 | L | 44 | Very low | 51.8 | Low | 175 Ų | 175 | 143.7 Ų | 143.7 | 92% | 0.916 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -137.7 | -3.5 | 161.7 | -76.7 | 179.5 | 0 | 0 | 0 | 116.4 | ||
| 100 | S | 44.1 | Very low | 54.1 | Low | 129 Ų | 129 | 143.4 Ų | 143.4 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -92.4 | 5 | -169.8 | -96.4 | 0 | 0 | 0 | 0 | 117.7 | ||
| 101 | Q | 49.1 | Very low | 56.8 | Low | 184 Ų | 184 | 143.2 Ų | 143.2 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -131.6 | 18.2 | -171.7 | -71.9 | -173.4 | 4.8 | 0 | 0 | 116.8 | ||
| 102 | R | 53.4 | Low | 59.2 | Low | 228 Ų | 228 | 142.9 Ų | 142.9 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -114.8 | 96.4 | 178.3 | -155.9 | 169.4 | 172.7 | 160.2 | -3.8 | 112 | ||
| 103 | N | 54.7 | Low | 61.8 | Low | 108 Ų | 108 | 142.8 Ų | 142.8 | 58% | 0.578 | 78% | 0.776 | S | S | * | * | trans | 99.7 | 64.6 | 171.4 | -54.4 | -67.9 | 0 | 0 | 0 | 115.7 | N105 | N103-N105 PolarHBondContact O-N 3.28Š| ||
| 104 | A | 56.5 | Low | 64 | Low | 104 Ų | 104 | 146.7 Ų | 146.7 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | -68.4 | 71.5 | 145.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 105 | N | 62.4 | Low | 66.2 | Low | 90 Ų | 90 | 141.3 Ų | 141.3 | 48% | 0.481 | 76% | 0.756 | S | S | . | * | trans | -62.2 | 130.5 | 158.8 | -97 | -79.4 | 0 | 0 | 0 | 105.8 | N103 G107 I108 | N103-N105 PolarHBondContact O-N 3.28Å; N105-G107 PolarHBondContact O-N 2.84Å; N105-I108 HydrophobicContact CB-CD1 3.78Å; N105-I108 HydrophobicContact CB-CG1 3.88Å; N105-I108 PolarHBondContact O-N 3.23Å | ||
| 106 | P | 65.4 | Low | 68.2 | Low | 143 Ų | 143 | 136.5 Ų | 136.5 | 93% | 0.929 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | 5.4 | 179.2 | 23.3 | -32.1 | 0 | 0 | 0 | 114.5 | ||
| 107 | G | 75.9 | Confident | 70.4 | Confident | 71 Ų | 71 | 128.5 Ų | 128.5 | 73% | 0.732 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112 | -1.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | N105 | N105-G107 PolarHBondContact O-N 2.84Š|
| 108 | I | 83.3 | Confident | 72.3 | Confident | 104 Ų | 104 | 131.1 Ų | 131.1 | 53% | 0.533 | 71% | 0.71 | S | S | . | * | trans | -97.3 | 124 | -179.3 | -57.7 | 173.4 | 0 | 0 | 0 | 109.9 | N105 | N105-I108 HydrophobicContact CB-CD1 3.78Å; N105-I108 HydrophobicContact CB-CG1 3.88Å; N105-I108 PolarHBondContact O-N 3.23Å | ||
| 109 | K | 88.8 | Confident | 74.6 | Confident | 175 Ų | 175 | 124 Ų | 124 | 76% | 0.761 | 68% | 0.682 | S | S | * | * | trans | -98.4 | 127.3 | 175.5 | -61.5 | 179.8 | -177.8 | 179.4 | 0 | 109.6 | F111 | K109-F111 HydrophobicContact CB-CE2 3.65Å; K109-F111 HydrophobicContact CB-CZ 4.09Å; K109-F111 HydrophobicContact CD-CZ 4.41Å | ||
| 110 | C | 89.8 | Confident | 76.8 | Confident | 116 Ų | 116 | 123.7 Ų | 123.7 | 78% | 0.784 | 68% | 0.676 | S | S | * | * | trans | -111.1 | 133.7 | 177.4 | -61.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 111 | F | 91.9 | Very high | 78.9 | Confident | 162 Ų | 162 | 120.2 Ų | 120.2 | 71% | 0.711 | 65% | 0.646 | S | S | * | * | trans | -128.8 | 136.3 | 176.9 | -59.5 | -85.8 | 0 | 0 | 0 | 109.3 | K109 V113 | K109-F111 HydrophobicContact CB-CE2 3.65Å; K109-F111 HydrophobicContact CB-CZ 4.09Å; K109-F111 HydrophobicContact CD-CZ 4.41Å; F111-V113 HydrophobicContact CB-CG1 4.34Å; F111-V113 PolarHBondContact O-N 3.45Å | ||
| 112 | A | 91.3 | Very high | 80.8 | Confident | 113 Ų | 113 | 114.9 Ų | 114.9 | 93% | 0.934 | 63% | 0.626 | S | S | * | * | trans | -74.5 | 119.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 113 | V | 90.5 | Very high | 82.6 | Confident | 131 Ų | 131 | 112 Ų | 112 | 79% | 0.794 | 62% | 0.623 | S | S | * | * | trans | -134 | 153.5 | -179.9 | -62.8 | 0 | 0 | 0 | 0 | 110.2 | F111 | F111-V113 HydrophobicContact CB-CG1 4.34Å; F111-V113 PolarHBondContact O-N 3.45Å | ||
| 114 | R | 86.2 | Confident | 84.1 | Confident | 194 Ų | 194 | 112.6 Ų | 112.6 | 73% | 0.732 | 62% | 0.622 | S | S | * | * | trans | -112.1 | 127.9 | 172.8 | 178.8 | 175.2 | 176 | -84.8 | -8.9 | 108.6 | L116 | R114-L116 VanDerWaalsContact NH1-CD2 3.3Š| ||
| 115 | S | 87.6 | Confident | 85.5 | Confident | 46 Ų | 46 | 111.7 Ų | 111.7 | 32% | 0.322 | 60% | 0.6 | S | S | . | * | trans | -62.5 | 142.3 | 172.4 | 47.8 | 0 | 0 | 0 | 0 | 110.7 | W157 G158 | S115-W157 WeakPolarHBondContact CB-O 3.24Å; S115-W157 PolarHBondContact OG-O 3.38Å; S115-G158 PolarHBondContact OG-O 2.88Å | ||
| 116 | L | 87.1 | Confident | 86.7 | Confident | 71 Ų | 71 | 112.1 Ų | 112.1 | 37% | 0.372 | 60% | 0.601 | S | S | . | * | trans | -114 | 6.1 | 170.6 | -60.8 | 179.3 | 0 | 0 | 0 | 112 | R114 L142 | R114-L116 VanDerWaalsContact NH1-CD2 3.3Å; L116-L142 HydrophobicContact CB-CB 3.97Å | ||
| 117 | G | 88.7 | Confident | 87.9 | Confident | 29 Ų | 29 | 107 Ų | 107 | 30% | 0.299 | 57% | 0.571 | S | S | . | * | trans | 95.3 | -165 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G158 | G117-G158 PolarHBondContact N-OXT 3.12Š| ||
| 118 | W | 87.5 | Confident | 88.4 | Confident | 192 Ų | 192 | 109.8 Ų | 109.8 | 73% | 0.727 | 58% | 0.577 | S | S | * | * | trans | -135.5 | 154 | -179.3 | 56.1 | -88.2 | 0 | 0 | 0 | 110.4 | E120 | W118-E120 HydrophobicContact CZ3-CB 4.32Š| ||
| 119 | V | 89.1 | Confident | 88.6 | Confident | 40 Ų | 40 | 108.1 Ų | 108.1 | 24% | 0.242 | 59% | 0.585 | C | S | . | * | trans | -126.2 | 130.1 | 175.1 | 179.5 | 0 | 0 | 0 | 0 | 107.6 | M121 L142 | V119-M121 HydrophobicContact CG1-CE 4.07Å; V119-L142 HydrophobicContact CG2-CD1 4Å; V119-L142 HydrophobicContact CG2-CD2 3.57Å; V119-L142 HydrophobicContact CG2-CG 3.69Å | ||
| 120 | E | 88.7 | Confident | 88.6 | Confident | 168 Ų | 168 | 107.5 Ų | 107.5 | 79% | 0.785 | 58% | 0.578 | S | S | * | * | trans | -72.2 | 129.8 | 171.8 | -170.6 | 172.6 | -170.7 | 0 | 0 | 109.5 | W118 | W118-E120 HydrophobicContact CZ3-CB 4.32Š| ||
| 121 | M | 88.6 | Confident | 88.8 | Confident | 55 Ų | 55 | 104.2 Ų | 104.2 | 27% | 0.271 | 56% | 0.556 | S | S | . | * | trans | -122.8 | 143.5 | -178.7 | -71.3 | -72.2 | -175.7 | 0 | 0 | 109.4 | V119 A134 C138 | V119-M121 HydrophobicContact CG1-CE 4.07Å; M121-A134 HydrophobicContact CE-CB 4.37Å; M121-A134 WeakPolarHBondContact CE-O 3.42Å; M121-A134 HydrophobicContact SD-CB 4.31Å; M121-C138 HydrophobicContact CE-CB 3.67Å | ||
| 122 | T | 89.7 | Confident | 88.9 | Confident | 72 Ų | 72 | 100.5 Ų | 100.5 | 44% | 0.442 | 55% | 0.55 | S | S | . | * | trans | -86.4 | 158 | 176 | 72.6 | 0 | 0 | 0 | 0 | 111.2 | E124 E125 | T122-E124 WeakPolarHBondContact CB-OE2 3.36Å; T122-E124 PolarHBondContact O-N 2.97Å; T122-E124 PolarHBondContact OG1-OE2 3.38Å; T122-E125 PolarHBondContact N-OE2 3.03Å; T122-E125 PolarHBondContact O-N 2.84Å; T122-E125 VanDerWaalsContact O-N 3.15Å | ||
| 123 | E | 90.4 | Very high | 89 | Confident | 169 Ų | 169 | 99.8 Ų | 99.8 | 79% | 0.79 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -32 | -178.1 | -176.5 | 171.6 | 89.8 | 0 | 0 | 111.9 | E125 L126 A127 | E123-E125 PolarHBondContact O-N 2.98Å; E123-L126 PolarHBondContact O-N 3.14Å; E123-L126 VanDerWaalsContact O-N 3.16Å; E123-A127 PolarHBondContact O-N 3Å |
| 124 | E | 86.7 | Confident | 89.1 | Confident | 120 Ų | 120 | 94 Ų | 94 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -25.4 | -178.6 | -49.7 | 80.2 | -162.4 | 0 | 0 | 112.9 | T122 A127 | T122-E124 WeakPolarHBondContact CB-OE2 3.36Å; T122-E124 PolarHBondContact O-N 2.97Å; T122-E124 PolarHBondContact OG1-OE2 3.38Å; E124-A127 WeakPolarHBondContact O-CB 3.09Å |
| 125 | E | 86.4 | Confident | 89.5 | Confident | 84 Ų | 84 | 88.8 Ų | 88.8 | 39% | 0.393 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -24.1 | 177 | -64 | -175.9 | 128.8 | 0 | 0 | 112.1 | T122 E123 A127 R130 S131 A134 | T122-E125 PolarHBondContact N-OE2 3.03Å; T122-E125 PolarHBondContact O-N 2.84Å; T122-E125 VanDerWaalsContact O-N 3.15Å; E123-E125 PolarHBondContact O-N 2.98Å; E125-A127 VanDerWaalsContact C-N 3.31Å; E125-R130 CarbonylContact O-C 3.34Å; E125-S131 WeakPolarHBondContact O-CA 2.98Å; E125-S131 PolarHBondContact O-N 2.93Å; E125-A134 HydrophobicContact CB-CB 4.21Å |
| 126 | L | 87.9 | Confident | 89.8 | Confident | 99 Ų | 99 | 90.2 Ų | 90.2 | 52% | 0.518 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -87.3 | 0.4 | 176.7 | -62.2 | 178.8 | 0 | 0 | 0 | 113.3 | E123 | E123-L126 PolarHBondContact O-N 3.14Å; E123-L126 VanDerWaalsContact O-N 3.16Å |
| 127 | A | 90.6 | Very high | 90.1 | Very high | 35 Ų | 35 | 91 Ų | 91 | 29% | 0.289 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -57.2 | 148.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E123 E124 E125 G129 R130 S131 | E123-A127 PolarHBondContact O-N 3Å; E124-A127 WeakPolarHBondContact O-CB 3.09Å; E125-A127 VanDerWaalsContact C-N 3.31Å; A127-G129 PolarHBondContact O-N 2.84Å; A127-R130 PolarHBondContact O-N 3.2Å; A127-S131 PolarHBondContact O-N 3.38Å |
| 128 | P | 84.7 | Confident | 90.2 | Very high | 131 Ų | 131 | 90.9 Ų | 90.9 | 85% | 0.851 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 129 | 174.7 | -25.2 | 33.9 | 0 | 0 | 0 | 111.6 | ||
| 129 | G | 88.9 | Confident | 90.4 | Very high | 69 Ų | 69 | 86.6 Ų | 86.6 | 71% | 0.711 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.3 | -9.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | A127 | A127-G129 PolarHBondContact O-N 2.84Š|
| 130 | R | 89.2 | Confident | 90.5 | Very high | 162 Ų | 162 | 91.6 Ų | 91.6 | 61% | 0.611 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.9 | -26.1 | 175.8 | -67.4 | -175.8 | 136.4 | -173.1 | -4.6 | 113.8 | E125 A127 S132 V133 A134 | E125-R130 CarbonylContact O-C 3.34Å; A127-R130 PolarHBondContact O-N 3.2Å; R130-S132 VanDerWaalsContact C-N 3.33Å; R130-S132 PolarHBondContact O-N 2.84Å; R130-V133 WeakPolarHBondContact O-CB 3.49Å; R130-V133 PolarHBondContact O-N 2.89Å; R130-V133 VanDerWaalsContact O-N 3.09Å; R130-A134 PolarHBondContact O-N 2.86Å |
| 131 | S | 93.8 | Very high | 90.6 | Very high | 47 Ų | 47 | 88.4 Ų | 88.4 | 33% | 0.329 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58 | -37.6 | -176.8 | 61 | 0 | 0 | 0 | 0 | 114.6 | E125 A127 V133 A134 V135 | E125-S131 WeakPolarHBondContact O-CA 2.98Å; E125-S131 PolarHBondContact O-N 2.93Å; A127-S131 PolarHBondContact O-N 3.38Å; S131-V133 VanDerWaalsContact C-N 3.3Å; S131-V133 PolarHBondContact O-N 2.76Å; S131-A134 PolarHBondContact O-N 3.01Å; S131-V135 VanDerWaalsContact O-CG2 3.32Å; S131-V135 WeakPolarHBondContact O-CG2 2.92Å; S131-V135 PolarHBondContact O-N 2.73Å |
| 132 | S | 93.7 | Very high | 90.6 | Very high | 83 Ų | 83 | 87.1 Ų | 87.1 | 58% | 0.58 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.3 | -37.8 | 177.9 | 61 | 0 | 0 | 0 | 0 | 112.2 | R130 N136 | R130-S132 VanDerWaalsContact C-N 3.33Å; R130-S132 PolarHBondContact O-N 2.84Å; S132-N136 WeakPolarHBondContact O-CB 3.39Å; S132-N136 PolarHBondContact O-N 2.78Å |
| 133 | V | 92.8 | Very high | 90.5 | Very high | 99 Ų | 99 | 86.9 Ų | 86.9 | 60% | 0.6 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -69.3 | -43.8 | 176.1 | -179.8 | 0 | 0 | 0 | 0 | 109.9 | R130 S131 V135 N136 N137 | R130-V133 WeakPolarHBondContact O-CB 3.49Å; R130-V133 PolarHBondContact O-N 2.89Å; R130-V133 VanDerWaalsContact O-N 3.09Å; S131-V133 VanDerWaalsContact C-N 3.3Å; S131-V133 PolarHBondContact O-N 2.76Å; V133-V135 PolarHBondContact O-N 2.89Å; V133-N136 PolarHBondContact O-N 3.46Å; V133-N137 WeakPolarHBondContact O-CB 3.44Å; V133-N137 PolarHBondContact O-N 2.83Å |
| 134 | A | 93.6 | Very high | 90 | Very high | 10 Ų | 10 | 87.7 Ų | 87.7 | 8% | 0.083 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -59.3 | -44.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | M121 E125 R130 S131 N137 C138 | M121-A134 HydrophobicContact CE-CB 4.37Å; M121-A134 WeakPolarHBondContact CE-O 3.42Å; M121-A134 HydrophobicContact SD-CB 4.31Å; E125-A134 HydrophobicContact CB-CB 4.21Å; R130-A134 PolarHBondContact O-N 2.86Å; S131-A134 PolarHBondContact O-N 3.01Å; A134-N137 PolarHBondContact O-N 2.87Å; A134-C138 WeakPolarHBondContact O-CB 3.45Å; A134-C138 PolarHBondContact O-N 3.3Å |
| 135 | V | 93.9 | Very high | 89.1 | Confident | 83 Ų | 83 | 88 Ų | 88 | 50% | 0.503 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63 | -45.6 | 175.9 | 171 | 0 | 0 | 0 | 0 | 111.5 | S131 V133 N137 C138 I139 | S131-V135 VanDerWaalsContact O-CG2 3.32Å; S131-V135 WeakPolarHBondContact O-CG2 2.92Å; S131-V135 PolarHBondContact O-N 2.73Å; V133-V135 PolarHBondContact O-N 2.89Å; V135-N137 VanDerWaalsContact C-N 3.3Å; V135-N137 PolarHBondContact O-N 2.77Å; V135-C138 WeakPolarHBondContact O-CB 3.35Å; V135-C138 PolarHBondContact O-N 2.9Å; V135-I139 HydrophobicContact CG1-CD1 3.9Å; V135-I139 HydrophobicContact CG1-CG1 4.48Å; V135-I139 WeakPolarHBondContact O-CG1 3.35Å; V135-I139 PolarHBondContact O-N 2.95Å |
| 136 | N | 94.3 | Very high | 88 | Confident | 77 Ų | 77 | 91.7 Ų | 91.7 | 41% | 0.412 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 178.9 | -164 | -81.1 | 0 | 0 | 0 | 111.4 | S132 V133 I139 R140 | S132-N136 WeakPolarHBondContact O-CB 3.39Å; S132-N136 PolarHBondContact O-N 2.78Å; V133-N136 PolarHBondContact O-N 3.46Å; N136-I139 PolarHBondContact O-N 2.91Å; N136-R140 WeakPolarHBondContact O-CG 3.44Å; N136-R140 PolarHBondContact O-N 3.26Å; N136-R140 VanDerWaalsContact O-N 3.07Å; N136-R140 PolarHBondContact OD1-NE 3.46Å; N136-R140 PolarHBondContact OD1-NH2 2.93Å |
| 137 | N | 92.6 | Very high | 86.8 | Confident | 87 Ų | 87 | 90.9 Ų | 90.9 | 47% | 0.465 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.9 | -47.5 | 175.7 | -168 | -11 | 0 | 0 | 0 | 111.1 | V133 A134 V135 I139 R140 Q141 | V133-N137 WeakPolarHBondContact O-CB 3.44Å; V133-N137 PolarHBondContact O-N 2.83Å; A134-N137 PolarHBondContact O-N 2.87Å; V135-N137 VanDerWaalsContact C-N 3.3Å; V135-N137 PolarHBondContact O-N 2.77Å; N137-I139 PolarHBondContact O-N 2.73Å; N137-R140 WeakPolarHBondContact O-CB 3.39Å; N137-R140 PolarHBondContact O-N 3.5Å; N137-R140 VanDerWaalsContact O-N 3.11Å; N137-Q141 WeakPolarHBondContact O-CB 3.45Å; N137-Q141 PolarHBondContact O-N 3.26Å |
| 138 | C | 91.6 | Very high | 85 | Confident | 26 Ų | 26 | 96.4 Ų | 96.4 | 18% | 0.176 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -54.8 | -48.6 | 176.1 | -176.7 | 0 | 0 | 0 | 0 | 112.2 | M121 A134 V135 R140 Q141 L142 | M121-C138 HydrophobicContact CE-CB 3.67Å; A134-C138 WeakPolarHBondContact O-CB 3.45Å; A134-C138 PolarHBondContact O-N 3.3Å; V135-C138 WeakPolarHBondContact O-CB 3.35Å; V135-C138 PolarHBondContact O-N 2.9Å; C138-R140 VanDerWaalsContact C-N 3.32Å; C138-R140 PolarHBondContact O-N 2.75Å; C138-Q141 PolarHBondContact O-N 3.01Å; C138-L142 WeakPolarHBondContact O-CB 3.47Å; C138-L142 WeakPolarHBondContact O-CG 3.44Å; C138-L142 PolarHBondContact O-N 2.71Å |
| 139 | I | 91.8 | Very high | 83.5 | Confident | 102 Ų | 102 | 97.4 Ų | 97.4 | 52% | 0.523 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.7 | -45.5 | 177.6 | -66.8 | 166 | 0 | 0 | 0 | 110.6 | V135 N136 N137 S143 | V135-I139 HydrophobicContact CG1-CD1 3.9Å; V135-I139 HydrophobicContact CG1-CG1 4.48Å; V135-I139 WeakPolarHBondContact O-CG1 3.35Å; V135-I139 PolarHBondContact O-N 2.95Å; N136-I139 PolarHBondContact O-N 2.91Å; N137-I139 PolarHBondContact O-N 2.73Å; I139-S143 WeakPolarHBondContact O-CA 3.35Å; I139-S143 WeakPolarHBondContact O-CB 3.14Å; I139-S143 PolarHBondContact O-N 2.76Å |
| 140 | R | 91.4 | Very high | 81.9 | Confident | 146 Ų | 146 | 102.2 Ų | 102.2 | 55% | 0.551 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.2 | -48.9 | 177.2 | -69.6 | 175.2 | -170.5 | -110.8 | 0.6 | 111 | N136 N137 C138 L142 S143 Y144 | N136-R140 WeakPolarHBondContact O-CG 3.44Å; N136-R140 PolarHBondContact O-N 3.26Å; N136-R140 VanDerWaalsContact O-N 3.07Å; N136-R140 PolarHBondContact OD1-NE 3.46Å; N136-R140 PolarHBondContact OD1-NH2 2.93Å; N137-R140 WeakPolarHBondContact O-CB 3.39Å; N137-R140 PolarHBondContact O-N 3.5Å; N137-R140 VanDerWaalsContact O-N 3.11Å; C138-R140 VanDerWaalsContact C-N 3.32Å; C138-R140 PolarHBondContact O-N 2.75Å; R140-L142 PolarHBondContact O-N 3.38Å; R140-S143 PolarHBondContact O-N 3.42Å; R140-Y144 HydrophobicContact CB-CD2 4.25Å; R140-Y144 HydrophobicContact CB-CE2 4.25Å; R140-Y144 HydrophobicContact CG-CE2 4.38Å; R140-Y144 WeakPolarHBondContact O-CD2 3.24Å; R140-Y144 PolarHBondContact O-N 2.73Å |
| 141 | Q | 89.9 | Confident | 80.3 | Confident | 100 Ų | 100 | 98.2 Ų | 98.2 | 47% | 0.467 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.1 | -49.1 | -177.1 | -161.9 | 174.5 | 65.7 | 0 | 0 | 110.3 | N137 C138 H145 | N137-Q141 WeakPolarHBondContact O-CB 3.45Å; N137-Q141 PolarHBondContact O-N 3.26Å; C138-Q141 PolarHBondContact O-N 3.01Å; Q141-H145 WeakPolarHBondContact O-CB 3.21Å; Q141-H145 PolarHBondContact O-N 3.1Å |
| 142 | L | 88.9 | Confident | 78.5 | Confident | 28 Ų | 28 | 102 Ų | 102 | 15% | 0.147 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -74.1 | -27.8 | 178.9 | -64.2 | -179.2 | 0 | 0 | 0 | 114 | L116 V119 C138 R140 | L116-L142 HydrophobicContact CB-CB 3.97Å; V119-L142 HydrophobicContact CG2-CD1 4Å; V119-L142 HydrophobicContact CG2-CD2 3.57Å; V119-L142 HydrophobicContact CG2-CG 3.69Å; C138-L142 WeakPolarHBondContact O-CB 3.47Å; C138-L142 WeakPolarHBondContact O-CG 3.44Å; C138-L142 PolarHBondContact O-N 2.71Å; R140-L142 PolarHBondContact O-N 3.38Å |
| 143 | S | 87.2 | Confident | 76.8 | Confident | 67 Ų | 67 | 106.3 Ų | 106.3 | 47% | 0.469 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -73.6 | -43.3 | 178.9 | 179.7 | 0 | 0 | 0 | 0 | 112.3 | I139 R140 | I139-S143 WeakPolarHBondContact O-CA 3.35Å; I139-S143 WeakPolarHBondContact O-CB 3.14Å; I139-S143 PolarHBondContact O-N 2.76Å; R140-S143 PolarHBondContact O-N 3.42Å |
| 144 | Y | 79.4 | Confident | 75.2 | Confident | 187 Ų | 187 | 103 Ų | 103 | 73% | 0.733 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -88.1 | -26.9 | -178.3 | -63 | -66.1 | 0 | 0 | 0 | 112.7 | R140 K146 | R140-Y144 HydrophobicContact CB-CD2 4.25Å; R140-Y144 HydrophobicContact CB-CE2 4.25Å; R140-Y144 HydrophobicContact CG-CE2 4.38Å; R140-Y144 WeakPolarHBondContact O-CD2 3.24Å; R140-Y144 PolarHBondContact O-N 2.73Å; Y144-K146 VanDerWaalsContact C-N 3.31Å; Y144-K146 PolarHBondContact O-N 2.97Å |
| 145 | H | 69.3 | Low | 73.2 | Confident | 126 Ų | 126 | 105.6 Ų | 105.6 | 58% | 0.583 | 55% | 0.551 | S | S | * | * | trans | -83.3 | 78.3 | 175.5 | -155.5 | -92.9 | 0 | 0 | 0 | 109.8 | Q141 N147 | Q141-H145 WeakPolarHBondContact O-CB 3.21Å; Q141-H145 PolarHBondContact O-N 3.1Å; H145-N147 VanDerWaalsContact C-N 3.33Å; H145-N147 PolarHBondContact ND1-OD1 3.15Å; H145-N147 PolarHBondContact O-N 3.02Å; H145-N147 PolarHBondContact O-OD1 3.01Å | ||
| 146 | K | 62.9 | Low | 71.2 | Confident | 162 Ų | 162 | 105.4 Ų | 105.4 | 70% | 0.704 | 57% | 0.565 | S | S | * | * | trans | -65.8 | 97.3 | 168.4 | -176 | 149.2 | 63.2 | -176.3 | 0 | 107.7 | Y144 N148 | Y144-K146 VanDerWaalsContact C-N 3.31Å; Y144-K146 PolarHBondContact O-N 2.97Å; K146-N148 VanDerWaalsContact C-N 3.26Å; K146-N148 PolarHBondContact O-N 2.89Å; K146-N148 PolarHBondContact O-ND2 2.86Å | ||
| 147 | N | 62.2 | Low | 69.3 | Low | 82 Ų | 82 | 112.3 Ų | 112.3 | 44% | 0.439 | 59% | 0.585 | S | S | . | * | trans | -52.6 | 88.7 | 173.9 | -67.6 | -19.6 | 0 | 0 | 0 | 109.5 | H145 L149 | H145-N147 VanDerWaalsContact C-N 3.33Å; H145-N147 PolarHBondContact ND1-OD1 3.15Å; H145-N147 PolarHBondContact O-N 3.02Å; H145-N147 PolarHBondContact O-OD1 3.01Å; N147-L149 PolarHBondContact O-N 3.22Å | ||
| 148 | N | 52.8 | Low | 67.5 | Low | 151 Ų | 151 | 110.8 Ų | 110.8 | 81% | 0.807 | 59% | 0.591 | S | S | * | * | trans | -75.1 | -8.1 | 167.6 | -81.4 | -90.7 | 0 | 0 | 0 | 110.8 | K146 | K146-N148 VanDerWaalsContact C-N 3.26Å; K146-N148 PolarHBondContact O-N 2.89Å; K146-N148 PolarHBondContact O-ND2 2.86Å | ||
| 149 | L | 53.8 | Low | 66.3 | Low | 151 Ų | 151 | 115.1 Ų | 115.1 | 79% | 0.791 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -100.8 | 98.6 | 172.7 | -157.2 | 64.8 | 0 | 0 | 0 | 107.2 | N147 D151 | N147-L149 PolarHBondContact O-N 3.22Å; L149-D151 PolarHBondContact O-N 3.18Å |
| 150 | H | 54.6 | Low | 65 | Low | 170 Ų | 170 | 115.7 Ų | 115.7 | 79% | 0.787 | 62% | 0.616 | S | S | * | * | trans | -53.2 | 104 | 167.9 | -153.1 | -81.9 | 0 | 0 | 0 | 106.9 | P152 | H150-P152 WeakPolarHBondContact O-CD 3.17Å; H150-P152 VanDerWaalsContact O-N 3.14Å | ||
| 151 | D | 55.2 | Low | 63.5 | Low | 78 Ų | 78 | 114.1 Ų | 114.1 | 42% | 0.417 | 62% | 0.62 | S | S | . | * | trans | -63.1 | 115.4 | 172.9 | 176 | 45.5 | 0 | 0 | 0 | 106.7 | L149 M153 A154 | L149-D151 PolarHBondContact O-N 3.18Å; D151-M153 PolarHBondContact O-N 3.2Å; D151-A154 HydrophobicContact CB-CB 3.88Å; D151-A154 PolarHBondContact O-N 3.5Å; D151-A154 VanDerWaalsContact O-N 3.1Å; D151-A154 PolarHBondContact OD2-N 3.2Å | ||
| 152 | P | 55.8 | Low | 62 | Low | 128 Ų | 128 | 114.9 Ų | 114.9 | 83% | 0.831 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -8.9 | -176 | 26.6 | -34 | 0 | 0 | 0 | 112.5 | H150 | H150-P152 WeakPolarHBondContact O-CD 3.17Å; H150-P152 VanDerWaalsContact O-N 3.14Å |
| 153 | M | 58.5 | Low | 60.3 | Low | 173 Ų | 173 | 120.3 Ų | 120.3 | 85% | 0.852 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | -7.3 | 179.2 | -147 | 151.5 | 178 | 0 | 0 | 113.5 | D151 G155 | D151-M153 PolarHBondContact O-N 3.2Å; M153-G155 PolarHBondContact O-N 3.05Å |
| 154 | A | 58.8 | Low | 58.5 | Low | 30 Ų | 30 | 123.9 Ų | 123.9 | 25% | 0.248 | 67% | 0.672 | C | S | . | * | trans | -77.5 | 75.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | D151 G156 | D151-A154 HydrophobicContact CB-CB 3.88Å; D151-A154 PolarHBondContact O-N 3.5Å; D151-A154 VanDerWaalsContact O-N 3.1Å; D151-A154 PolarHBondContact OD2-N 3.2Å; A154-G156 PolarHBondContact O-N 3.34Å | ||
| 155 | G | 51.6 | Low | 57 | Low | 64 Ų | 64 | 119.4 Ų | 119.4 | 66% | 0.66 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | 108 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | M153 W157 | M153-G155 PolarHBondContact O-N 3.05Å; G155-W157 PolarHBondContact O-N 2.73Å |
| 156 | G | 53.4 | Low | 56 | Low | 78 Ų | 78 | 118.8 Ų | 118.8 | 80% | 0.804 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 59.4 | -9.5 | 162.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | A154 | A154-G156 PolarHBondContact O-N 3.34Š|
| 157 | W | 54.6 | Low | 55.5 | Low | 222 Ų | 222 | 115.3 Ų | 115.3 | 84% | 0.841 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135 | 19.2 | -172.3 | -60.6 | 88.8 | 0 | 0 | 0 | 112.6 | S115 G155 | S115-W157 WeakPolarHBondContact CB-O 3.24Å; S115-W157 PolarHBondContact OG-O 3.38Å; G155-W157 PolarHBondContact O-N 2.73Å |
| 158 | G | 54.2 | Low | 54.8 | Low | 56 Ų | 56 | 118.3 Ų | 118.3 | 58% | 0.577 | 69% | 0.692 | S | S | * | * | trans | -84.9 | 0 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | S115 G117 | S115-G158 PolarHBondContact OG-O 2.88Å; G117-G158 PolarHBondContact N-OXT 3.12Å |
Retrieved 158 of 158 residues in 21.3 ms
(Link to these results)