| 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 | 57 | Low | 78.7 | Confident | 231 Ų | 231 | 109.4 Ų | 109.4 | 100% | 1.138 | 56% | 0.564 | S | S | * | * | 0 | 116.9 | 0 | -157.4 | 121.7 | -176.3 | 0 | 0 | 106.9 | |||||
| 2 | D | 70.8 | Confident | 78.9 | Confident | 123 Ų | 123 | 112.8 Ų | 112.8 | 66% | 0.658 | 57% | 0.572 | S | S | * | * | trans | -89.1 | 119 | -177.4 | -174.3 | -1.5 | 0 | 0 | 0 | 109.8 | S4 | D2-S4 VanDerWaalsContact CG-OG 3.26Å; D2-S4 WeakPolarHBondContact OD1-CB 3.21Å; D2-S4 PolarHBondContact OD1-N 3.37Å; D2-S4 PolarHBondContact OD1-OG 2.95Å; D2-S4 PolarHBondContact OD2-OG 2.9Å | ||
| 3 | L | 77.9 | Confident | 79.1 | Confident | 92 Ų | 92 | 111 Ų | 111 | 48% | 0.482 | 56% | 0.562 | S | S | . | * | trans | -107.1 | 11.7 | -178.9 | -61.4 | 178.8 | 0 | 0 | 0 | 112.3 | T5 F6 F8 | L3-T5 PolarHBondContact O-N 2.63Å; L3-T5 VanDerWaalsContact O-N 3.08Å; L3-F6 HydrophobicContact CB-CB 4.36Å; L3-F6 HydrophobicContact CD2-CB 4.5Å; L3-F6 WeakPolarHBondContact O-CB 3.45Å; L3-F6 PolarHBondContact O-N 3.5Å; L3-F8 HydrophobicContact CD1-CZ 4.39Å | ||
| 4 | S | 78.3 | Confident | 78.8 | Confident | 89 Ų | 89 | 108.4 Ų | 108.4 | 62% | 0.622 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -21.7 | -178.5 | 58.3 | 0 | 0 | 0 | 0 | 114.4 | D2 | D2-S4 VanDerWaalsContact CG-OG 3.26Å; D2-S4 WeakPolarHBondContact OD1-CB 3.21Å; D2-S4 PolarHBondContact OD1-N 3.37Å; D2-S4 PolarHBondContact OD1-OG 2.95Å; D2-S4 PolarHBondContact OD2-OG 2.9Å |
| 5 | T | 81.2 | Confident | 77.8 | Confident | 34 Ų | 34 | 109.1 Ų | 109.1 | 21% | 0.209 | 55% | 0.552 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -103.4 | 4.7 | 176.2 | 59.2 | 0 | 0 | 0 | 0 | 113.9 | L3 M13 L14 K17 | L3-T5 PolarHBondContact O-N 2.63Å; L3-T5 VanDerWaalsContact O-N 3.08Å; T5-M13 WeakPolarHBondContact O-CA 3.49Å; T5-M13 WeakPolarHBondContact OG1-CE 3.12Å; T5-L14 PolarHBondContact O-N 3.3Å; T5-K17 HydrophobicContact CG2-CB 4.27Å |
| 6 | F | 83.2 | Confident | 76.7 | Confident | 67 Ų | 67 | 108.4 Ų | 108.4 | 29% | 0.294 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.8 | 124.1 | 178.4 | -170.6 | -101.7 | 0 | 0 | 0 | 110.6 | L3 F8 M13 | L3-F6 HydrophobicContact CB-CB 4.36Å; L3-F6 HydrophobicContact CD2-CB 4.5Å; L3-F6 WeakPolarHBondContact O-CB 3.45Å; L3-F6 PolarHBondContact O-N 3.5Å; F6-F8 AromaticContact CD1-CD1 3.82Å; F6-F8 HydrophobicContact CD1-CD1 3.82Å; F6-F8 HydrophobicContact CD1-CD2 4.12Å; F6-F8 AromaticContact CD1-CE1 3.71Å; F6-F8 HydrophobicContact CD1-CE1 3.71Å; F6-F8 HydrophobicContact CD1-CE2 4.02Å; F6-F8 HydrophobicContact CD1-CG 4.03Å; F6-F8 AromaticContact CD1-CZ 3.81Å; F6-F8 HydrophobicContact CD1-CZ 3.81Å; F6-F8 AromaticContact CE1-CD1 3.77Å; F6-F8 HydrophobicContact CE1-CD1 3.77Å; F6-F8 AromaticContact CE1-CE1 3.9Å; F6-F8 HydrophobicContact CE1-CE1 3.9Å; F6-F8 HydrophobicContact CE1-CG 4.24Å; F6-F8 HydrophobicContact CE1-CZ 4.46Å; F6-M13 HydrophobicContact CB-SD 3.69Å; F6-M13 HydrophobicContact CD2-CG 4.05Å; F6-M13 HydrophobicContact CD2-SD 3.64Å; F6-M13 HydrophobicContact CG-SD 4.16Å |
| 7 | D | 83.3 | Confident | 75.5 | Confident | 48 Ų | 48 | 110.6 Ų | 110.6 | 26% | 0.257 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92 | 108.7 | 174.9 | 175.7 | 11.9 | 0 | 0 | 0 | 110.2 | R9 T10 G11 K12 L14 | D7-R9 VanDerWaalsContact C-N 3.25Å; D7-R9 PolarHBondContact O-N 2.96Å; D7-R9 WeakPolarHBondContact OD1-CB 3.35Å; D7-R9 PolarHBondContact OD1-N 3.38Å; D7-T10 WeakPolarHBondContact CB-OG1 3.14Å; D7-T10 PolarHBondContact O-N 3.08Å; D7-T10 WeakPolarHBondContact OD2-CB 3.47Å; D7-T10 WeakPolarHBondContact OD2-CG2 3.5Å; D7-T10 PolarHBondContact OD2-OG1 2.93Å; D7-G11 WeakPolarHBondContact O-CA 3.48Å; D7-G11 PolarHBondContact O-N 2.84Å; D7-K12 WeakPolarHBondContact CB-O 3.42Å; D7-K12 PolarHBondContact N-O 2.79Å; D7-K12 PolarHBondContact O-N 3.34Å; D7-L14 HydrophobicContact CB-CD1 4.09Å; D7-L14 HydrophobicContact CB-CG 4.28Å |
| 8 | F | 84.3 | Confident | 74.5 | Confident | 153 Ų | 153 | 112.1 Ų | 112.1 | 67% | 0.671 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -20 | -178.8 | -69.3 | -85.5 | 0 | 0 | 0 | 113.9 | L3 F6 | L3-F8 HydrophobicContact CD1-CZ 4.39Å; F6-F8 AromaticContact CD1-CD1 3.82Å; F6-F8 HydrophobicContact CD1-CD1 3.82Å; F6-F8 HydrophobicContact CD1-CD2 4.12Å; F6-F8 AromaticContact CD1-CE1 3.71Å; F6-F8 HydrophobicContact CD1-CE1 3.71Å; F6-F8 HydrophobicContact CD1-CE2 4.02Å; F6-F8 HydrophobicContact CD1-CG 4.03Å; F6-F8 AromaticContact CD1-CZ 3.81Å; F6-F8 HydrophobicContact CD1-CZ 3.81Å; F6-F8 AromaticContact CE1-CD1 3.77Å; F6-F8 HydrophobicContact CE1-CD1 3.77Å; F6-F8 AromaticContact CE1-CE1 3.9Å; F6-F8 HydrophobicContact CE1-CE1 3.9Å; F6-F8 HydrophobicContact CE1-CG 4.24Å; F6-F8 HydrophobicContact CE1-CZ 4.46Å |
| 9 | R | 79.4 | Confident | 73.4 | Confident | 238 Ų | 238 | 113.7 Ų | 113.7 | 90% | 0.898 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -32.2 | 178.3 | -167 | 173.3 | -173.9 | -175.6 | 1.6 | 111.8 | D7 | D7-R9 VanDerWaalsContact C-N 3.25Å; D7-R9 PolarHBondContact O-N 2.96Å; D7-R9 WeakPolarHBondContact OD1-CB 3.35Å; D7-R9 PolarHBondContact OD1-N 3.38Å |
| 10 | T | 83.7 | Confident | 72.5 | Confident | 82 Ų | 82 | 118.3 Ų | 118.3 | 50% | 0.503 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.7 | -13.6 | -178.1 | 62.2 | 0 | 0 | 0 | 0 | 113.4 | D7 K12 | D7-T10 WeakPolarHBondContact CB-OG1 3.14Å; D7-T10 PolarHBondContact O-N 3.08Å; D7-T10 WeakPolarHBondContact OD2-CB 3.47Å; D7-T10 WeakPolarHBondContact OD2-CG2 3.5Å; D7-T10 PolarHBondContact OD2-OG1 2.93Å; T10-K12 VanDerWaalsContact C-N 3.28Å; T10-K12 PolarHBondContact O-N 3.17Å |
| 11 | G | 86.3 | Confident | 71.1 | Confident | 46 Ų | 46 | 117.4 Ų | 117.4 | 47% | 0.474 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 69.6 | 23.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | D7 | D7-G11 WeakPolarHBondContact O-CA 3.48Å; D7-G11 PolarHBondContact O-N 2.84Å |
| 12 | K | 81.4 | Confident | 70.8 | Confident | 151 Ų | 151 | 118.1 Ų | 118.1 | 66% | 0.657 | 59% | 0.591 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -126.5 | 151.1 | -172.3 | -64.2 | -176.1 | -176.2 | -178.1 | 0 | 112.3 | D7 T10 | D7-K12 WeakPolarHBondContact CB-O 3.42Å; D7-K12 PolarHBondContact N-O 2.79Å; D7-K12 PolarHBondContact O-N 3.34Å; T10-K12 VanDerWaalsContact C-N 3.28Å; T10-K12 PolarHBondContact O-N 3.17Å |
| 13 | M | 81 | Confident | 69.4 | Low | 89 Ų | 89 | 120 Ų | 120 | 44% | 0.438 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81 | 127 | 174.4 | -68.4 | -72 | -82.8 | 0 | 0 | 110.7 | T5 F6 M15 | T5-M13 WeakPolarHBondContact O-CA 3.49Å; T5-M13 WeakPolarHBondContact OG1-CE 3.12Å; F6-M13 HydrophobicContact CB-SD 3.69Å; F6-M13 HydrophobicContact CD2-CG 4.05Å; F6-M13 HydrophobicContact CD2-SD 3.64Å; F6-M13 HydrophobicContact CG-SD 4.16Å; M13-M15 HydrophobicContact CB-CE 3.59Å; M13-M15 PolarHBondContact O-N 3.38Å |
| 14 | L | 75.9 | Confident | 68.1 | Low | 75 Ų | 75 | 127.9 Ų | 127.9 | 39% | 0.393 | 62% | 0.62 | S | S | . | * | trans | -75.9 | 90.5 | 177.7 | -75.2 | 158.2 | 0 | 0 | 0 | 110.6 | T5 D7 S16 K17 | T5-L14 PolarHBondContact O-N 3.3Å; D7-L14 HydrophobicContact CB-CD1 4.09Å; D7-L14 HydrophobicContact CB-CG 4.28Å; L14-S16 PolarHBondContact O-N 3.06Å; L14-K17 PolarHBondContact O-N 2.8Å | ||
| 15 | M | 63.4 | Low | 66.3 | Low | 118 Ų | 118 | 129.3 Ų | 129.3 | 58% | 0.581 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -61.5 | -21.3 | 179.9 | -64.4 | -69.6 | 93.1 | 0 | 0 | 114.1 | M13 K17 M18 | M13-M15 HydrophobicContact CB-CE 3.59Å; M13-M15 PolarHBondContact O-N 3.38Å; M15-K17 VanDerWaalsContact C-N 3.29Å; M15-K17 PolarHBondContact O-N 3.21Å; M15-M18 PolarHBondContact O-N 3.4Å; M15-M18 HydrophobicContact SD-CE 4.44Å |
| 16 | S | 60.7 | Low | 64.7 | Low | 99 Ų | 99 | 138.6 Ų | 138.6 | 69% | 0.692 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -70.6 | -20.7 | -179.7 | 63.8 | 0 | 0 | 0 | 0 | 114 | L14 | L14-S16 PolarHBondContact O-N 3.06Š|
| 17 | K | 56.4 | Low | 63.1 | Low | 146 Ų | 146 | 146.5 Ų | 146.5 | 64% | 0.635 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -95.1 | 0.1 | 176.5 | -69.9 | -170 | 178.1 | 179.4 | 0 | 113.6 | T5 L14 M15 N19 | T5-K17 HydrophobicContact CG2-CB 4.27Å; L14-K17 PolarHBondContact O-N 2.8Å; M15-K17 VanDerWaalsContact C-N 3.29Å; M15-K17 PolarHBondContact O-N 3.21Å; K17-N19 PolarHBondContact O-N 2.74Å |
| 18 | M | 57.1 | Low | 60.9 | Low | 136 Ų | 136 | 150.5 Ų | 150.5 | 67% | 0.67 | 71% | 0.706 | S | S | * | * | trans | -77.4 | 63.5 | 173 | -166.1 | 173.4 | 65.2 | 0 | 0 | 110 | M15 K20 | M15-M18 PolarHBondContact O-N 3.4Å; M15-M18 HydrophobicContact SD-CE 4.44Å; M18-K20 PolarHBondContact O-N 3.31Å | ||
| 19 | N | 53 | Low | 58.7 | Low | 144 Ų | 144 | 149.2 Ų | 149.2 | 77% | 0.77 | 72% | 0.717 | S | S | * | * | trans | -71.1 | 124.3 | 171.3 | -82 | -37 | 0 | 0 | 0 | 108.9 | K17 S21 | K17-N19 PolarHBondContact O-N 2.74Å; N19-S21 VanDerWaalsContact C-N 3.35Å; N19-S21 PolarHBondContact O-N 2.86Å | ||
| 20 | K | 54.9 | Low | 57.2 | Low | 204 Ų | 204 | 141.9 Ų | 141.9 | 89% | 0.887 | 70% | 0.702 | S | S | * | * | trans | -67.7 | 83.4 | -172.1 | -153.7 | 164.8 | -169 | 157.5 | 0 | 110.5 | M18 R22 | M18-K20 PolarHBondContact O-N 3.31Å; K20-R22 PolarHBondContact O-N 3.16Å; K20-R22 VanDerWaalsContact O-N 3.16Å | ||
| 21 | S | 43.3 | Very low | 55.1 | Low | 101 Ų | 101 | 145.5 Ų | 145.5 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | trans | -71.2 | 106 | 164.9 | -176.1 | 0 | 0 | 0 | 0 | 108.4 | N19 Q23 | N19-S21 VanDerWaalsContact C-N 3.35Å; N19-S21 PolarHBondContact O-N 2.86Å; S21-Q23 PolarHBondContact O-N 2.9Å | ||
| 22 | R | 50.9 | Low | 53.3 | Low | 245 Ų | 245 | 152.7 Ų | 152.7 | 93% | 0.925 | 74% | 0.739 | S | S | * | * | trans | -66.7 | 83.3 | 167 | -87 | 179.3 | 173.5 | 172.6 | -0.7 | 108.7 | K20 | K20-R22 PolarHBondContact O-N 3.16Å; K20-R22 VanDerWaalsContact O-N 3.16Å | ||
| 23 | Q | 42.4 | Very low | 51.6 | Low | 163 Ų | 163 | 151.4 Ų | 151.4 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | trans | -119.1 | 104.9 | 154.8 | -112.3 | 179.1 | -10.4 | 0 | 0 | 108.1 | S21 V25 | S21-Q23 PolarHBondContact O-N 2.9Å; Q23-V25 VanDerWaalsContact C-N 3.35Å; Q23-V25 PolarHBondContact O-N 2.98Å | ||
| 24 | R | 50.7 | Low | 50.1 | Low | 258 Ų | 258 | 156.5 Ų | 156.5 | 97% | 0.974 | 76% | 0.764 | S | S | * | * | trans | -64.2 | 96.1 | 169.3 | -79.7 | -179 | 169.8 | 169.8 | -3.5 | 107.8 | ||||
| 25 | V | 39.8 | Very low | 48.4 | Very low | 118 Ų | 118 | 156.6 Ų | 156.6 | 72% | 0.715 | 78% | 0.783 | S | S | * | * | trans | -124.4 | 115.9 | 162.9 | -176.8 | 0 | 0 | 0 | 0 | 108 | Q23 | Q23-V25 VanDerWaalsContact C-N 3.35Å; Q23-V25 PolarHBondContact O-N 2.98Å | ||
| 26 | R | 47.4 | Very low | 48 | Very low | 230 Ų | 230 | 160 Ų | 160 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | trans | 0.6 | 129.9 | 157.8 | -65 | -172.3 | -179.7 | 179 | 1.3 | 118.3 | ||||
| 27 | Y | 50.8 | Low | 47.4 | Very low | 233 Ų | 233 | 160.1 Ų | 160.1 | 91% | 0.914 | 79% | 0.793 | S | S | * | * | trans | 62.3 | 98.7 | 133.7 | -132.7 | -89 | 0 | 0 | 0 | 117.6 | ||||
| 28 | D | 36.8 | Very low | 47.3 | Very low | 131 Ų | 131 | 159.9 Ų | 159.9 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | -165.8 | 105.4 | 130.6 | -168.9 | 9.1 | 0 | 0 | 0 | 108.5 | S30 | D28-S30 VanDerWaalsContact C-N 3.32Å; D28-S30 PolarHBondContact O-N 3.46Å | ||
| 29 | S | 37.3 | Very low | 47.2 | Very low | 127 Ų | 127 | 159.8 Ų | 159.8 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | trans | -93.2 | 69.8 | 174.7 | -81.5 | 0 | 0 | 0 | 0 | 109.3 | N31 | S29-N31 PolarHBondContact O-N 3.32Š| ||
| 30 | S | 47.9 | Very low | 47.2 | Very low | 84 Ų | 84 | 158.6 Ų | 158.6 | 59% | 0.587 | 79% | 0.794 | S | S | * | * | trans | -90.2 | 82.2 | 160 | 47.5 | 0 | 0 | 0 | 0 | 109 | D28 | D28-S30 VanDerWaalsContact C-N 3.32Å; D28-S30 PolarHBondContact O-N 3.46Å | ||
| 31 | N | 39.1 | Very low | 47 | Very low | 157 Ų | 157 | 155.1 Ų | 155.1 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | trans | -163.7 | 99.7 | 151.3 | -103.1 | -16.8 | 0 | 0 | 0 | 111.2 | S29 V33 | S29-N31 PolarHBondContact O-N 3.32Å; N31-V33 PolarHBondContact O-N 3.23Å | ||
| 32 | Q | 48.6 | Very low | 48 | Very low | 197 Ų | 197 | 153.6 Ų | 153.6 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | trans | -72.1 | 99.4 | 163.4 | -69.4 | -151 | 34.6 | 0 | 0 | 109.8 | ||||
| 33 | V | 45.5 | Very low | 48.3 | Very low | 124 Ų | 124 | 149 Ų | 149 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -145.7 | 116.6 | 148 | 178.8 | 0 | 0 | 0 | 0 | 107 | N31 | N31-V33 PolarHBondContact O-N 3.23Š|
| 34 | K | 49.9 | Very low | 49 | Very low | 197 Ų | 197 | 147 Ų | 147 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 64.9 | 66.4 | 179.2 | -60.1 | 178.2 | -177.4 | -176.7 | 0 | 114.4 | K36 | K34-K36 PolarHBondContact O-N 2.93Š|
| 35 | G | 41.4 | Very low | 49.7 | Very low | 77 Ų | 77 | 141.1 Ų | 141.1 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | -64.9 | 92 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 36 | K | 53.2 | Low | 50.5 | Low | 188 Ų | 188 | 145.3 Ų | 145.3 | 82% | 0.817 | 77% | 0.772 | S | S | * | * | trans | -62.2 | 125.1 | 139.7 | -80.8 | 179 | 161.1 | -177.2 | 0 | 105.7 | K34 D38 | K34-K36 PolarHBondContact O-N 2.93Å; K36-D38 PolarHBondContact O-N 2.86Å | ||
| 37 | P | 48.7 | Very low | 51.3 | Low | 103 Ų | 103 | 143.9 Ų | 143.9 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | trans | -59.4 | 113.6 | 159.7 | 25.7 | -29.2 | 0 | 0 | 0 | 105 | L39 | P37-L39 HydrophobicContact CB-CD1 4.03Å; P37-L39 PolarHBondContact O-N 2.97Å | ||
| 38 | D | 54.7 | Low | 51.8 | Low | 141 Ų | 141 | 136.4 Ų | 136.4 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | trans | -68 | 75.6 | 167.9 | -170.8 | 11.8 | 0 | 0 | 0 | 106.3 | K36 N40 | K36-D38 PolarHBondContact O-N 2.86Å; D38-N40 PolarHBondContact O-N 3.18Å | ||
| 39 | L | 54.5 | Low | 53 | Low | 134 Ų | 134 | 135.3 Ų | 135.3 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | trans | -68.1 | 86.4 | 162.9 | -114.2 | 76.2 | 0 | 0 | 0 | 104 | P37 T41 | P37-L39 HydrophobicContact CB-CD1 4.03Å; P37-L39 PolarHBondContact O-N 2.97Å; L39-T41 PolarHBondContact O-N 2.95Å; L39-T41 PolarHBondContact O-OG1 2.84Å | ||
| 40 | N | 53.8 | Low | 54.4 | Low | 119 Ų | 119 | 132 Ų | 132 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | trans | -50.6 | 94.9 | 173.2 | -151.9 | -45.6 | 0 | 0 | 0 | 106.7 | D38 A42 | D38-N40 PolarHBondContact O-N 3.18Å; N40-A42 PolarHBondContact O-N 3.17Å; N40-A42 VanDerWaalsContact OD1-CB 3.25Å; N40-A42 WeakPolarHBondContact OD1-CB 3.43Å | ||
| 41 | T | 51.3 | Low | 55.3 | Low | 130 Ų | 130 | 135.7 Ų | 135.7 | 80% | 0.798 | 75% | 0.752 | S | S | * | * | trans | -81.6 | 3.9 | -174.1 | -21.9 | 0 | 0 | 0 | 0 | 110 | L39 L43 | L39-T41 PolarHBondContact O-N 2.95Å; L39-T41 PolarHBondContact O-OG1 2.84Å; T41-L43 PolarHBondContact O-N 2.9Å | ||
| 42 | A | 62.8 | Low | 56.6 | Low | 69 Ų | 69 | 136.7 Ų | 136.7 | 57% | 0.57 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -59.7 | 111.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | N40 | N40-A42 PolarHBondContact O-N 3.17Å; N40-A42 VanDerWaalsContact OD1-CB 3.25Å; N40-A42 WeakPolarHBondContact OD1-CB 3.43Å |
| 43 | L | 57.3 | Low | 57.5 | Low | 150 Ų | 150 | 137.5 Ų | 137.5 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 134 | 174.6 | -65.7 | 171.7 | 0 | 0 | 0 | 108.2 | T41 V45 | T41-L43 PolarHBondContact O-N 2.9Å; L43-V45 PolarHBondContact O-N 2.84Å |
| 44 | P | 58.4 | Low | 58.9 | Low | 120 Ų | 120 | 138.4 Ų | 138.4 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 121.1 | 178.3 | -25.3 | 31.8 | 0 | 0 | 0 | 109.6 | R46 | P44-R46 PolarHBondContact O-N 3.1Å; P44-R46 VanDerWaalsContact O-N 3.16Å |
| 45 | V | 64 | Low | 60.2 | Low | 134 Ų | 134 | 135.5 Ų | 135.5 | 81% | 0.812 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 120.1 | 173.9 | 174.7 | 0 | 0 | 0 | 0 | 106.6 | L43 Q47 | L43-V45 PolarHBondContact O-N 2.84Å; V45-Q47 PolarHBondContact O-N 3.27Å |
| 46 | R | 56.5 | Low | 61.6 | Low | 206 Ų | 206 | 138.1 Ų | 138.1 | 78% | 0.777 | 75% | 0.747 | S | S | * | * | trans | -59 | 113 | 177 | -78.7 | -177.6 | 167.5 | -118.8 | -2.1 | 108.9 | P44 T48 | P44-R46 PolarHBondContact O-N 3.1Å; P44-R46 VanDerWaalsContact O-N 3.16Å; R46-T48 HydrophobicContact CB-CG2 4.13Å; R46-T48 PolarHBondContact O-N 3.28Å | ||
| 47 | Q | 64.1 | Low | 62.9 | Low | 200 Ų | 200 | 135.1 Ų | 135.1 | 94% | 0.935 | 75% | 0.745 | S | S | * | * | trans | -77.3 | 45.6 | 165 | -66.5 | -173 | -34.1 | 0 | 0 | 110.3 | V45 | V45-Q47 PolarHBondContact O-N 3.27Š| ||
| 48 | T | 61.7 | Low | 64 | Low | 76 Ų | 76 | 138.9 Ų | 138.9 | 47% | 0.466 | 75% | 0.75 | S | S | . | * | trans | -85.2 | 132.4 | 174.6 | 52 | 0 | 0 | 0 | 0 | 108.8 | R46 S50 | R46-T48 HydrophobicContact CB-CG2 4.13Å; R46-T48 PolarHBondContact O-N 3.28Å; T48-S50 PolarHBondContact O-N 2.96Å; T48-S50 VanDerWaalsContact O-N 3.08Å | ||
| 49 | A | 63.2 | Low | 65 | Low | 108 Ų | 108 | 139.2 Ų | 139.2 | 89% | 0.893 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -61.9 | -16.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 50 | S | 66.2 | Low | 65.8 | Low | 57 Ų | 57 | 136.3 Ų | 136.3 | 40% | 0.399 | 74% | 0.738 | S | S | . | * | trans | -95.4 | 116.2 | 179 | -168.7 | 0 | 0 | 0 | 0 | 111.9 | T48 | T48-S50 PolarHBondContact O-N 2.96Å; T48-S50 VanDerWaalsContact O-N 3.08Å | ||
| 51 | I | 67.3 | Low | 66.3 | Low | 162 Ų | 162 | 137.2 Ų | 137.2 | 83% | 0.831 | 74% | 0.744 | S | S | * | * | trans | -90.4 | -14.5 | 177.1 | -42.7 | 171.3 | 0 | 0 | 0 | 110.5 | ||||
| 52 | F | 65.5 | Low | 66.9 | Low | 178 Ų | 178 | 137 Ų | 137 | 78% | 0.781 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -79.2 | 133.4 | -179.9 | -66.5 | -74 | 0 | 0 | 0 | 110.4 | Q54 | F52-Q54 PolarHBondContact O-N 3.3Š|
| 53 | K | 66.9 | Low | 67.1 | Low | 214 Ų | 214 | 140 Ų | 140 | 93% | 0.93 | 75% | 0.747 | S | S | * | * | trans | -68 | 96.7 | 177.9 | -64.6 | -163.7 | -178.4 | -172.7 | 0 | 109.5 | ||||
| 54 | Q | 75.9 | Confident | 67.7 | Low | 144 Ų | 144 | 137.9 Ų | 137.9 | 67% | 0.673 | 75% | 0.745 | S | S | * | * | trans | -80.3 | 141.9 | 164.6 | -68 | -176.3 | -48 | 0 | 0 | 109 | F52 V56 | F52-Q54 PolarHBondContact O-N 3.3Å; Q54-V56 PolarHBondContact O-N 2.94Å | ||
| 55 | P | 77.2 | Confident | 67.7 | Low | 135 Ų | 135 | 137.6 Ų | 137.6 | 88% | 0.877 | 74% | 0.736 | S | S | * | * | trans | -61.7 | 130.5 | 173.8 | 25.3 | -31.9 | 0 | 0 | 0 | 109.6 | ||||
| 56 | V | 71.2 | Confident | 67.9 | Low | 133 Ų | 133 | 140.4 Ų | 140.4 | 81% | 0.806 | 74% | 0.738 | S | S | * | * | trans | -119.8 | 132.8 | 176 | -174.2 | 0 | 0 | 0 | 0 | 108.9 | Q54 | Q54-V56 PolarHBondContact O-N 2.94Š| ||
| 57 | T | 80.8 | Confident | 68.2 | Low | 125 Ų | 125 | 136 Ų | 136 | 77% | 0.767 | 73% | 0.733 | S | S | * | * | trans | -83 | 120.3 | 175.6 | -51.2 | 0 | 0 | 0 | 0 | 110.2 | I59 | T57-I59 HydrophobicContact CG2-CG1 4.49Å; T57-I59 PolarHBondContact O-N 3.4Å | ||
| 58 | K | 70.4 | Confident | 68.1 | Low | 181 Ų | 181 | 135.6 Ų | 135.6 | 79% | 0.787 | 73% | 0.729 | S | S | * | * | trans | -83 | 106 | 173.3 | -176 | -174.9 | 176.9 | -173.1 | 0 | 109.4 | ||||
| 59 | I | 75.2 | Confident | 68 | Low | 148 Ų | 148 | 137.6 Ų | 137.6 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | trans | -87.9 | 129.2 | 170.7 | -56.5 | 175.7 | 0 | 0 | 0 | 108.1 | T57 | T57-I59 HydrophobicContact CG2-CG1 4.49Å; T57-I59 PolarHBondContact O-N 3.4Å | ||
| 60 | T | 71.2 | Confident | 67.6 | Low | 73 Ų | 73 | 135.9 Ų | 135.9 | 45% | 0.448 | 72% | 0.721 | S | S | . | * | trans | -134.5 | 122.8 | 177.3 | 149.4 | 0 | 0 | 0 | 0 | 108.7 | H62 | T60-H62 PolarHBondContact O-N 2.69Å; T60-H62 PolarHBondContact OG1-N 2.73Å; T60-H62 PolarHBondContact OG1-O 3.25Å | ||
| 61 | N | 65.8 | Low | 67.1 | Low | 139 Ų | 139 | 138.6 Ų | 138.6 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -68.6 | -17.9 | -178.7 | -67 | -14.2 | 0 | 0 | 0 | 113.1 | ||
| 62 | H | 63.5 | Low | 66.7 | Low | 126 Ų | 126 | 138.8 Ų | 138.8 | 58% | 0.583 | 74% | 0.735 | S | S | * | * | trans | -136.4 | 99.7 | -176.4 | -60.2 | -62.1 | 0 | 0 | 0 | 111.2 | T60 S64 N65 | T60-H62 PolarHBondContact O-N 2.69Å; T60-H62 PolarHBondContact OG1-N 2.73Å; T60-H62 PolarHBondContact OG1-O 3.25Å; H62-S64 PolarHBondContact O-N 2.87Å; H62-S64 VanDerWaalsContact O-N 3.11Å; H62-N65 HydrophobicContact CB-CB 4.3Å; H62-N65 WeakPolarHBondContact O-CB 3.28Å; H62-N65 PolarHBondContact O-N 2.82Å; H62-N65 VanDerWaalsContact O-N 3.1Å | ||
| 63 | P | 65.9 | Low | 66.2 | Low | 132 Ų | 132 | 138.9 Ų | 138.9 | 86% | 0.857 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -19.7 | -172.8 | 13.2 | -20.3 | 0 | 0 | 0 | 114.7 | ||
| 64 | S | 69.8 | Low | 65.6 | Low | 105 Ų | 105 | 132.4 Ų | 132.4 | 73% | 0.734 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | 3.5 | 178.2 | 58.3 | 0 | 0 | 0 | 0 | 114.4 | H62 K66 | H62-S64 PolarHBondContact O-N 2.87Å; H62-S64 VanDerWaalsContact O-N 3.11Å; S64-K66 PolarHBondContact O-N 3.04Å |
| 65 | N | 60 | Low | 64.9 | Low | 113 Ų | 113 | 131.7 Ų | 131.7 | 60% | 0.604 | 73% | 0.727 | S | S | * | * | trans | -68.9 | 93 | -175.1 | -167.8 | 21.5 | 0 | 0 | 0 | 111.6 | H62 V67 | H62-N65 HydrophobicContact CB-CB 4.3Å; H62-N65 WeakPolarHBondContact O-CB 3.28Å; H62-N65 PolarHBondContact O-N 2.82Å; H62-N65 VanDerWaalsContact O-N 3.1Å; N65-V67 PolarHBondContact O-N 3.16Å; N65-V67 VanDerWaalsContact O-N 3.1Å | ||
| 66 | K | 67.9 | Low | 64.2 | Low | 194 Ų | 194 | 131.2 Ų | 131.2 | 84% | 0.843 | 72% | 0.717 | S | S | * | * | trans | -77.3 | 89.2 | 170.7 | -64.9 | -169.4 | -178.2 | -175.7 | 0 | 108.8 | S64 K68 | S64-K66 PolarHBondContact O-N 3.04Å; K66-K68 PolarHBondContact O-N 3.14Å; K66-K68 VanDerWaalsContact O-N 3.12Å | ||
| 67 | V | 62.5 | Low | 64 | Low | 112 Ų | 112 | 132.8 Ų | 132.8 | 68% | 0.679 | 72% | 0.715 | S | S | * | * | trans | -62.1 | 114.7 | 166.5 | -179.1 | 0 | 0 | 0 | 0 | 106.9 | N65 S69 | N65-V67 PolarHBondContact O-N 3.16Å; N65-V67 VanDerWaalsContact O-N 3.1Å; V67-S69 PolarHBondContact O-N 3.02Å | ||
| 68 | K | 61.3 | Low | 63.3 | Low | 193 Ų | 193 | 132.8 Ų | 132.8 | 84% | 0.839 | 72% | 0.717 | S | S | * | * | trans | -59.9 | 108.9 | 172.4 | -71.6 | -177.9 | -179.5 | 177.4 | 0 | 107.1 | K66 D70 | K66-K68 PolarHBondContact O-N 3.14Å; K66-K68 VanDerWaalsContact O-N 3.12Å; K68-D70 PolarHBondContact O-N 2.99Å | ||
| 69 | S | 60.8 | Low | 63.2 | Low | 117 Ų | 117 | 134 Ų | 134 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | trans | -74.4 | -6.9 | -178.6 | 54.7 | 0 | 0 | 0 | 0 | 113.1 | V67 P71 | V67-S69 PolarHBondContact O-N 3.02Å; S69-P71 VanDerWaalsContact O-CD 3.27Å; S69-P71 WeakPolarHBondContact O-CD 3.31Å | ||
| 70 | D | 53.7 | Low | 63.4 | Low | 73 Ų | 73 | 133 Ų | 133 | 39% | 0.39 | 71% | 0.709 | S | S | . | * | trans | -108.6 | 99.2 | -176.6 | -169 | 4.9 | 0 | 0 | 0 | 111 | K68 Q72 | K68-D70 PolarHBondContact O-N 2.99Å; D70-Q72 PolarHBondContact O-N 3.16Å; D70-Q72 VanDerWaalsContact OD1-CB 3.27Å; D70-Q72 WeakPolarHBondContact OD1-CB 3.41Å; D70-Q72 WeakPolarHBondContact OD1-CG 3.37Å; D70-Q72 PolarHBondContact OD1-N 3.08Å | ||
| 71 | P | 56.5 | Low | 63.5 | Low | 114 Ų | 114 | 136 Ų | 136 | 74% | 0.74 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -66.8 | -8.7 | 174.4 | 24.6 | -30.7 | 0 | 0 | 0 | 113.2 | S69 K73 | S69-P71 VanDerWaalsContact O-CD 3.27Å; S69-P71 WeakPolarHBondContact O-CD 3.31Å; P71-K73 VanDerWaalsContact C-N 3.34Å; P71-K73 PolarHBondContact O-N 3.11Å |
| 72 | Q | 58.2 | Low | 63.9 | Low | 165 Ų | 165 | 136.9 Ų | 136.9 | 77% | 0.771 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -75.3 | -17.2 | -177.5 | -63.9 | -169 | -36.1 | 0 | 0 | 114.3 | D70 | D70-Q72 PolarHBondContact O-N 3.16Å; D70-Q72 VanDerWaalsContact OD1-CB 3.27Å; D70-Q72 WeakPolarHBondContact OD1-CB 3.41Å; D70-Q72 WeakPolarHBondContact OD1-CG 3.37Å; D70-Q72 PolarHBondContact OD1-N 3.08Å |
| 73 | K | 54.6 | Low | 64.5 | Low | 180 Ų | 180 | 134.6 Ų | 134.6 | 78% | 0.783 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -96.2 | 0.5 | -178.1 | -83.5 | -170.6 | -179.1 | -176.5 | 0 | 115.8 | P71 V75 | P71-K73 VanDerWaalsContact C-N 3.34Å; P71-K73 PolarHBondContact O-N 3.11Å; K73-V75 VanDerWaalsContact C-N 3.27Å; K73-V75 PolarHBondContact O-N 2.89Å |
| 74 | A | 56.3 | Low | 64.9 | Low | 79 Ų | 79 | 132.5 Ų | 132.5 | 65% | 0.653 | 68% | 0.684 | S | S | * | * | trans | -85.8 | 76.6 | 165 | 0 | 0 | 0 | 0 | 0 | 108.2 | D76 | A74-D76 PolarHBondContact O-N 3.5Š| ||
| 75 | V | 59.7 | Low | 65.3 | Low | 129 Ų | 129 | 135.3 Ų | 135.3 | 78% | 0.782 | 68% | 0.683 | S | S | * | * | trans | -65.1 | -26.8 | 176.6 | 179.7 | 0 | 0 | 0 | 0 | 110.6 | K73 | K73-V75 VanDerWaalsContact C-N 3.27Å; K73-V75 PolarHBondContact O-N 2.89Å | ||
| 76 | D | 64.1 | Low | 66.3 | Low | 124 Ų | 124 | 137.6 Ų | 137.6 | 66% | 0.663 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -88.6 | 126.8 | 178.7 | -66.9 | -44.4 | 0 | 0 | 0 | 111.9 | A74 | A74-D76 PolarHBondContact O-N 3.5Š|
| 77 | Q | 66.6 | Low | 66.7 | Low | 166 Ų | 166 | 132.7 Ų | 132.7 | 78% | 0.776 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 135 | 169.2 | -164.8 | 172.7 | 63.4 | 0 | 0 | 108.9 | R79 | Q77-R79 PolarHBondContact O-N 3.41Å; Q77-R79 VanDerWaalsContact O-N 3.08Å |
| 78 | P | 66.1 | Low | 67.5 | Low | 125 Ų | 125 | 131.3 Ų | 131.3 | 81% | 0.812 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 120.6 | 178 | 22.1 | -32.7 | 0 | 0 | 0 | 109.7 | ||
| 79 | R | 68.2 | Low | 68.5 | Low | 206 Ų | 206 | 125.7 Ų | 125.7 | 78% | 0.777 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 126.2 | 178.8 | -65.3 | -179.4 | -178.4 | -104.7 | 1.1 | 109.2 | Q77 L81 | Q77-R79 PolarHBondContact O-N 3.41Å; Q77-R79 VanDerWaalsContact O-N 3.08Å; R79-L81 HydrophobicContact CB-CD2 4.42Å; R79-L81 PolarHBondContact O-N 3.42Å |
| 80 | Q | 78.4 | Confident | 69.7 | Low | 129 Ų | 129 | 125.9 Ų | 125.9 | 60% | 0.603 | 65% | 0.654 | S | S | * | * | trans | -78.6 | 101.3 | 174.2 | -170.4 | 174.6 | -43.7 | 0 | 0 | 108.7 | W83 | Q80-W83 HydrophobicContact CB-CB 4.46Å; Q80-W83 HydrophobicContact CG-CB 3.82Å | ||
| 81 | L | 73.1 | Confident | 71.2 | Confident | 135 Ų | 135 | 126.5 Ų | 126.5 | 71% | 0.707 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -21.6 | -175.4 | -61.9 | 175.4 | 0 | 0 | 0 | 114 | R79 | R79-L81 HydrophobicContact CB-CD2 4.42Å; R79-L81 PolarHBondContact O-N 3.42Å |
| 82 | F | 75.9 | Confident | 72.7 | Confident | 158 Ų | 158 | 124 Ų | 124 | 69% | 0.693 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.1 | 22.5 | -173.1 | -59 | -73.2 | 0 | 0 | 0 | 113.3 | E84 K85 K86 | F82-E84 VanDerWaalsContact C-N 3.29Å; F82-E84 PolarHBondContact O-N 2.87Å; F82-K85 PolarHBondContact O-N 2.75Å; F82-K86 PolarHBondContact O-N 3.21Å; F82-K86 VanDerWaalsContact O-N 3.12Å |
| 83 | W | 75.5 | Confident | 74.2 | Confident | 78 Ų | 78 | 122 Ų | 122 | 30% | 0.295 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -61.7 | -39.6 | 179.9 | 70.4 | -77.5 | 0 | 0 | 0 | 111.9 | Q80 K85 K86 L87 | Q80-W83 HydrophobicContact CB-CB 4.46Å; Q80-W83 HydrophobicContact CG-CB 3.82Å; W83-K85 VanDerWaalsContact C-N 3.33Å; W83-K85 PolarHBondContact O-N 2.91Å; W83-K86 WeakPolarHBondContact O-CA 3.36Å; W83-K86 WeakPolarHBondContact O-CB 3.4Å; W83-K86 PolarHBondContact O-N 2.92Å; W83-L87 HydrophobicContact CE3-CD1 3.66Å; W83-L87 HydrophobicContact CZ3-CD1 3.89Å; W83-L87 WeakPolarHBondContact O-CG 3.37Å; W83-L87 PolarHBondContact O-N 3.38Å |
| 84 | E | 73.9 | Confident | 76 | Confident | 88 Ų | 88 | 117 Ų | 117 | 41% | 0.411 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -57.7 | -44.9 | 176.2 | -63.4 | 173.9 | -178.9 | 0 | 0 | 111.5 | F82 K86 L87 S88 | F82-E84 VanDerWaalsContact C-N 3.29Å; F82-E84 PolarHBondContact O-N 2.87Å; E84-K86 VanDerWaalsContact C-N 3.29Å; E84-K86 PolarHBondContact O-N 3.37Å; E84-L87 PolarHBondContact O-N 2.93Å; E84-S88 PolarHBondContact O-N 2.95Å |
| 85 | K | 78.4 | Confident | 77.8 | Confident | 163 Ų | 163 | 121.7 Ų | 121.7 | 71% | 0.709 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -66.5 | -29.1 | 175.5 | -172.8 | 166.6 | -173.9 | 166.1 | 0 | 113.1 | F82 W83 L87 S88 | F82-K85 PolarHBondContact O-N 2.75Å; W83-K85 VanDerWaalsContact C-N 3.33Å; W83-K85 PolarHBondContact O-N 2.91Å; K85-L87 VanDerWaalsContact C-N 3.34Å; K85-S88 PolarHBondContact O-OG 2.92Å |
| 86 | K | 80 | Confident | 79.5 | Confident | 162 Ų | 162 | 118.7 Ų | 118.7 | 70% | 0.704 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -72.6 | -32 | 175.7 | -171.5 | -179.6 | 176.9 | -176.4 | 0 | 111.7 | F82 W83 E84 | F82-K86 PolarHBondContact O-N 3.21Å; F82-K86 VanDerWaalsContact O-N 3.12Å; W83-K86 WeakPolarHBondContact O-CA 3.36Å; W83-K86 WeakPolarHBondContact O-CB 3.4Å; W83-K86 PolarHBondContact O-N 2.92Å; E84-K86 VanDerWaalsContact C-N 3.29Å; E84-K86 PolarHBondContact O-N 3.37Å |
| 87 | L | 77.3 | Confident | 80.8 | Confident | 90 Ų | 90 | 120.9 Ų | 120.9 | 47% | 0.471 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -92.7 | -8.5 | -179.2 | -59.6 | -178.3 | 0 | 0 | 0 | 113.2 | W83 E84 K85 G89 L90 | W83-L87 HydrophobicContact CE3-CD1 3.66Å; W83-L87 HydrophobicContact CZ3-CD1 3.89Å; W83-L87 WeakPolarHBondContact O-CG 3.37Å; W83-L87 PolarHBondContact O-N 3.38Å; E84-L87 PolarHBondContact O-N 2.93Å; K85-L87 VanDerWaalsContact C-N 3.34Å; L87-G89 PolarHBondContact O-N 3.34Å; L87-L90 HydrophobicContact CD2-CD1 3.86Å; L87-L90 WeakPolarHBondContact O-CB 3.25Å; L87-L90 PolarHBondContact O-N 2.76Å; L87-L90 VanDerWaalsContact O-N 3.11Å |
| 88 | S | 79.8 | Confident | 82.1 | Confident | 84 Ų | 84 | 119.4 Ų | 119.4 | 59% | 0.587 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | 129.3 | 178.7 | 67.1 | 0 | 0 | 0 | 0 | 111.4 | E84 K85 L90 | E84-S88 PolarHBondContact O-N 2.95Å; K85-S88 PolarHBondContact O-OG 2.92Å; S88-L90 VanDerWaalsContact C-N 3.28Å; S88-L90 PolarHBondContact O-N 3.28Å |
| 89 | G | 81.5 | Confident | 83.2 | Confident | 74 Ų | 74 | 118.4 Ų | 118.4 | 76% | 0.763 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.2 | 1.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L87 | L87-G89 PolarHBondContact O-N 3.34Š|
| 90 | L | 85.6 | Confident | 84.1 | Confident | 121 Ų | 121 | 112 Ų | 112 | 63% | 0.634 | 59% | 0.588 | S | S | * | * | trans | -83.8 | 132.5 | 168.2 | -61.2 | -177.3 | 0 | 0 | 0 | 109.7 | L87 S88 | L87-L90 HydrophobicContact CD2-CD1 3.86Å; L87-L90 WeakPolarHBondContact O-CB 3.25Å; L87-L90 PolarHBondContact O-N 2.76Å; L87-L90 VanDerWaalsContact O-N 3.11Å; S88-L90 VanDerWaalsContact C-N 3.28Å; S88-L90 PolarHBondContact O-N 3.28Å | ||
| 91 | N | 86.1 | Confident | 84.4 | Confident | 87 Ų | 87 | 113.3 Ų | 113.3 | 47% | 0.465 | 59% | 0.592 | S | S | . | * | trans | -121.1 | 142.9 | 177.7 | -75 | -51 | 0 | 0 | 0 | 109.7 | F93 L99 | N91-F93 HydrophobicContact CB-CD2 4.39Å; N91-F93 HydrophobicContact CB-CE2 3.66Å; N91-F93 HydrophobicContact CB-CZ 4.01Å; N91-F93 WeakPolarHBondContact O-CD2 3.41Å; N91-L99 HydrophobicContact CB-CD1 3.53Å | ||
| 92 | A | 87.1 | Confident | 84.8 | Confident | 62 Ų | 62 | 110.8 Ų | 110.8 | 51% | 0.512 | 58% | 0.582 | S | S | . | * | trans | -83.5 | 131.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | V100 | A92-V100 HydrophobicContact CB-CB 3.99Å; A92-V100 HydrophobicContact CB-CG2 4.15Å; A92-V100 WeakPolarHBondContact O-CB 3.36Å; A92-V100 PolarHBondContact O-N 3.33Å | ||
| 93 | F | 91.1 | Very high | 85.2 | Confident | 123 Ų | 123 | 109.6 Ų | 109.6 | 54% | 0.539 | 58% | 0.58 | S | S | . | * | B | Isolated β-bridge | trans | -118.9 | 146.7 | 174.2 | -65.1 | -90.4 | 0 | 0 | 0 | 109.1 | N91 E97 E98 L99 | N91-F93 HydrophobicContact CB-CD2 4.39Å; N91-F93 HydrophobicContact CB-CE2 3.66Å; N91-F93 HydrophobicContact CB-CZ 4.01Å; N91-F93 WeakPolarHBondContact O-CD2 3.41Å; F93-E97 WeakPolarHBondContact CD1-O 3.38Å; F93-E98 CarbonylContact C-O 3.59Å; F93-E98 VanDerWaalsContact CA-O 3.28Å; F93-E98 WeakPolarHBondContact CA-O 3.49Å; F93-L99 HydrophobicContact CD1-CB 4.43Å; F93-L99 HydrophobicContact CE1-CB 4.17Å; F93-L99 HydrophobicContact CE1-CD1 4.2Å; F93-L99 HydrophobicContact CZ-CD1 4.25Å |
| 94 | D | 92.2 | Very high | 85.7 | Confident | 74 Ų | 74 | 111 Ų | 111 | 40% | 0.396 | 59% | 0.594 | S | S | . | * | trans | -84.5 | -173.6 | 175 | 78.3 | -0.5 | 0 | 0 | 0 | 111.9 | A96 E97 E98 V100 | D94-A96 PolarHBondContact O-N 3.38Å; D94-A96 VanDerWaalsContact OD1-CA 3.31Å; D94-A96 WeakPolarHBondContact OD1-CA 3.43Å; D94-A96 WeakPolarHBondContact OD1-CB 3.29Å; D94-A96 PolarHBondContact OD1-N 2.95Å; D94-E97 PolarHBondContact O-N 3.46Å; D94-E97 VanDerWaalsContact O-N 3.1Å; D94-E97 PolarHBondContact OD1-N 2.97Å; D94-E97 VanDerWaalsContact OD1-N 3.17Å; D94-E98 PolarHBondContact N-O 2.78Å; D94-E98 PolarHBondContact OD1-N 3.48Å; D94-V100 HydrophobicContact CB-CG2 4.21Å | ||
| 95 | I | 94.4 | Very high | 86.3 | Confident | 177 Ų | 177 | 108.1 Ų | 108.1 | 91% | 0.908 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -26.4 | -179.3 | 117.9 | 172.9 | 0 | 0 | 0 | 111.8 | ||
| 96 | A | 95.3 | Very high | 86.8 | Confident | 66 Ų | 66 | 103.7 Ų | 103.7 | 55% | 0.545 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.5 | 9.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D94 E98 | D94-A96 PolarHBondContact O-N 3.38Å; D94-A96 VanDerWaalsContact OD1-CA 3.31Å; D94-A96 WeakPolarHBondContact OD1-CA 3.43Å; D94-A96 WeakPolarHBondContact OD1-CB 3.29Å; D94-A96 PolarHBondContact OD1-N 2.95Å; A96-E98 HydrophobicContact CB-CG 4.3Å; A96-E98 PolarHBondContact O-N 3.01Å |
| 97 | E | 90.4 | Very high | 86.9 | Confident | 170 Ų | 170 | 106.5 Ų | 106.5 | 79% | 0.794 | 58% | 0.581 | S | S | * | * | S | Bend | trans | 61.1 | 21.1 | -174.4 | -53.9 | -176 | 163.8 | 0 | 0 | 113.2 | F93 D94 | F93-E97 WeakPolarHBondContact CD1-O 3.38Å; D94-E97 PolarHBondContact O-N 3.46Å; D94-E97 VanDerWaalsContact O-N 3.1Å; D94-E97 PolarHBondContact OD1-N 2.97Å; D94-E97 VanDerWaalsContact OD1-N 3.17Å |
| 98 | E | 92.9 | Very high | 87.2 | Confident | 135 Ų | 135 | 106 Ų | 106 | 63% | 0.631 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 138.7 | 174.1 | -64.9 | -164.4 | 167.1 | 0 | 0 | 110.4 | F93 D94 A96 V100 | F93-E98 CarbonylContact C-O 3.59Å; F93-E98 VanDerWaalsContact CA-O 3.28Å; F93-E98 WeakPolarHBondContact CA-O 3.49Å; D94-E98 PolarHBondContact N-O 2.78Å; D94-E98 PolarHBondContact OD1-N 3.48Å; A96-E98 HydrophobicContact CB-CG 4.3Å; A96-E98 PolarHBondContact O-N 3.01Å; E98-V100 PolarHBondContact O-N 3.11Å |
| 99 | L | 89.3 | Confident | 87.5 | Confident | 105 Ų | 105 | 106 Ų | 106 | 55% | 0.55 | 59% | 0.591 | S | S | . | * | B | Isolated β-bridge | trans | -62.2 | 119.5 | 177.1 | 178.8 | 67.9 | 0 | 0 | 0 | 109.3 | N91 F93 K101 | N91-L99 HydrophobicContact CB-CD1 3.53Å; F93-L99 HydrophobicContact CD1-CB 4.43Å; F93-L99 HydrophobicContact CE1-CB 4.17Å; F93-L99 HydrophobicContact CE1-CD1 4.2Å; F93-L99 HydrophobicContact CZ-CD1 4.25Å; L99-K101 PolarHBondContact O-N 2.91Å; L99-K101 VanDerWaalsContact O-N 3.14Å |
| 100 | V | 88.4 | Confident | 87.8 | Confident | 70 Ų | 70 | 110.3 Ų | 110.3 | 42% | 0.424 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -67.8 | 116.3 | 174.9 | 179 | 0 | 0 | 0 | 0 | 108.1 | A92 D94 E98 T102 | A92-V100 HydrophobicContact CB-CB 3.99Å; A92-V100 HydrophobicContact CB-CG2 4.15Å; A92-V100 WeakPolarHBondContact O-CB 3.36Å; A92-V100 PolarHBondContact O-N 3.33Å; D94-V100 HydrophobicContact CB-CG2 4.21Å; E98-V100 PolarHBondContact O-N 3.11Å; V100-T102 PolarHBondContact O-N 3.5Å; V100-T102 VanDerWaalsContact O-N 3.16Å |
| 101 | K | 83.8 | Confident | 87.8 | Confident | 157 Ų | 157 | 105.6 Ų | 105.6 | 68% | 0.683 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 121.1 | 178.2 | -177 | 173.2 | 178.9 | -173.8 | 0 | 109.8 | L99 D104 | L99-K101 PolarHBondContact O-N 2.91Å; L99-K101 VanDerWaalsContact O-N 3.14Å; K101-D104 WeakPolarHBondContact CE-OD2 3.42Å; K101-D104 IonicContact NZ-OD2 2.82Å; K101-D104 PolarHBondContact NZ-OD2 3.43Å |
| 102 | T | 81 | Confident | 87.6 | Confident | 83 Ų | 83 | 105.4 Ų | 105.4 | 51% | 0.509 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -74.9 | 163.5 | 170.6 | 44.3 | 0 | 0 | 0 | 0 | 110.9 | V100 | V100-T102 PolarHBondContact O-N 3.5Å; V100-T102 VanDerWaalsContact O-N 3.16Å |
| 103 | M | 84.4 | Confident | 87.1 | Confident | 132 Ų | 132 | 104.4 Ų | 104.4 | 65% | 0.65 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 138 | 176.5 | -173.3 | 175.3 | 72.3 | 0 | 0 | 110.2 | L122 | M103-L122 HydrophobicContact CB-CD1 4.2Å; M103-L122 HydrophobicContact CE-CB 4.43Å; M103-L122 HydrophobicContact CE-CD1 3.87Å; M103-L122 HydrophobicContact CE-CD2 3.32Å; M103-L122 HydrophobicContact CE-CG 4.06Å; M103-L122 WeakPolarHBondContact O-CD1 3.31Å |
| 104 | D | 87.4 | Confident | 86.4 | Confident | 108 Ų | 108 | 104.9 Ų | 104.9 | 58% | 0.578 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -81 | 140.5 | 173.6 | -63.6 | -47.7 | 0 | 0 | 0 | 110.2 | K101 | K101-D104 WeakPolarHBondContact CE-OD2 3.42Å; K101-D104 IonicContact NZ-OD2 2.82Å; K101-D104 PolarHBondContact NZ-OD2 3.43Å |
| 105 | L | 86.6 | Confident | 85.6 | Confident | 27 Ų | 27 | 105 Ų | 105 | 14% | 0.141 | 60% | 0.603 | C | S | . | * | P | Polyproline II helix | trans | -68.8 | 129.4 | 177.6 | -173.5 | 69.9 | 0 | 0 | 0 | 110.2 | L109 D118 L121 L122 | L105-L109 HydrophobicContact CD1-CB 3.81Å; L105-L109 HydrophobicContact CD1-CD2 4.48Å; L105-L109 HydrophobicContact CD2-CB 4.28Å; L105-L109 WeakPolarHBondContact CD2-O 3.47Å; L105-L109 HydrophobicContact CG-CB 4.01Å; L105-D118 HydrophobicContact CB-CB 4.02Å; L105-D118 HydrophobicContact CD2-CB 4.28Å; L105-L121 HydrophobicContact CD1-CD2 3.85Å; L105-L121 HydrophobicContact CD1-CG 4.27Å; L105-L121 HydrophobicContact CD2-CD2 3.77Å; L105-L121 HydrophobicContact CG-CD2 4.49Å; L105-L122 HydrophobicContact CB-CD1 4.48Å; L105-L122 HydrophobicContact CD1-CD2 3.46Å; L105-L122 VanDerWaalsContact CD1-CD2 3.46Å; L105-L122 HydrophobicContact CD1-CG 3.86Å |
| 106 | P | 87.9 | Confident | 84.9 | Confident | 71 Ų | 71 | 99.1 Ų | 99.1 | 46% | 0.461 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -61.9 | 142.9 | -179.9 | -22.5 | 32.4 | 0 | 0 | 0 | 112.7 | G108 L109 | P106-G108 PolarHBondContact O-N 3.04Å; P106-L109 HydrophobicContact CB-CD1 4.08Å; P106-L109 HydrophobicContact CG-CD1 4.31Å; P106-L109 PolarHBondContact O-N 3.22Å |
| 107 | K | 82 | Confident | 84.4 | Confident | 221 Ų | 221 | 99.2 Ų | 99.2 | 96% | 0.961 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | 106.4 | 175.4 | -60.6 | -177.1 | -177.3 | -178.1 | 0 | 109.3 | ||
| 108 | G | 83.9 | Confident | 84.3 | Confident | 80 Ų | 80 | 95.7 Ų | 95.7 | 83% | 0.825 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 127.7 | -13.3 | -177 | 0 | 0 | 0 | 0 | 0 | 114.2 | P106 | P106-G108 PolarHBondContact O-N 3.04Š|
| 109 | L | 86.4 | Confident | 83.9 | Confident | 84 Ų | 84 | 94.3 Ų | 94.3 | 44% | 0.44 | 55% | 0.551 | S | S | . | * | trans | -99.8 | 136.6 | 164.6 | -75.2 | 89.4 | 0 | 0 | 0 | 109 | L105 P106 L121 I125 | L105-L109 HydrophobicContact CD1-CB 3.81Å; L105-L109 HydrophobicContact CD1-CD2 4.48Å; L105-L109 HydrophobicContact CD2-CB 4.28Å; L105-L109 WeakPolarHBondContact CD2-O 3.47Å; L105-L109 HydrophobicContact CG-CB 4.01Å; P106-L109 HydrophobicContact CB-CD1 4.08Å; P106-L109 HydrophobicContact CG-CD1 4.31Å; P106-L109 PolarHBondContact O-N 3.22Å; L109-L121 HydrophobicContact CB-CD2 4.49Å; L109-I125 HydrophobicContact CD2-CD1 3.56Å | ||
| 110 | Q | 87.4 | Confident | 83.7 | Confident | 164 Ų | 164 | 91.2 Ų | 91.2 | 77% | 0.766 | 54% | 0.536 | S | S | * | . | trans | -144.4 | 135.4 | 176.4 | -174.1 | 178.4 | 1.5 | 0 | 0 | 109.3 | ||||
| 111 | G | 84.9 | Confident | 83.6 | Confident | 21 Ų | 21 | 89.6 Ų | 89.6 | 22% | 0.216 | 53% | 0.525 | C | S | . | . | trans | -70.9 | 135.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | C116 | G111-C116 VanDerWaalsContact CA-SG 3.57Š| ||
| 112 | V | 82.8 | Confident | 83.9 | Confident | 84 Ų | 84 | 83.2 Ų | 83.2 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | trans | -114.6 | 129.3 | 174.4 | -65.4 | 0 | 0 | 0 | 0 | 109.4 | V144 | V112-V144 HydrophobicContact CB-CG2 4.31Š| ||
| 113 | G | 76 | Confident | 84.1 | Confident | 40 Ų | 40 | 81.7 Ų | 81.7 | 41% | 0.412 | 49% | 0.491 | S | S | . | . | S | Bend | trans | 120.4 | 163.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 114 | P | 76.6 | Confident | 84.1 | Confident | 134 Ų | 134 | 77.3 Ų | 77.3 | 87% | 0.87 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | 135 | -176.9 | 27.9 | -33.6 | 0 | 0 | 0 | 111.4 | C116 | P114-C116 PolarHBondContact O-N 3.39Š|
| 115 | G | 74.8 | Confident | 84.2 | Confident | 76 Ų | 76 | 74 Ų | 74 | 78% | 0.784 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | 10.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | T117 | G115-T117 PolarHBondContact O-N 3.17Š|
| 116 | C | 79.9 | Confident | 84.3 | Confident | 53 Ų | 53 | 75.5 Ų | 75.5 | 36% | 0.358 | 47% | 0.474 | S | S | . | . | trans | -76.4 | 117.9 | 172.5 | -169.1 | 0 | 0 | 0 | 0 | 109.7 | G111 P114 | G111-C116 VanDerWaalsContact CA-SG 3.57Å; P114-C116 PolarHBondContact O-N 3.39Å | ||
| 117 | T | 85.4 | Confident | 84.2 | Confident | 68 Ų | 68 | 74.4 Ų | 74.4 | 42% | 0.417 | 47% | 0.468 | S | S | . | . | trans | -103.5 | 159.8 | 171.3 | 68.5 | 0 | 0 | 0 | 0 | 110.1 | G115 E119 T120 L121 | G115-T117 PolarHBondContact O-N 3.17Å; T117-E119 PolarHBondContact O-N 3.06Å; T117-T120 PolarHBondContact N-OG1 3.33Å; T117-T120 PolarHBondContact O-N 2.98Å; T117-T120 PolarHBondContact O-OG1 3.09Å; T117-T120 WeakPolarHBondContact OG1-CG2 3.35Å; T117-T120 PolarHBondContact OG1-N 3.23Å; T117-T120 PolarHBondContact OG1-OG1 3.44Å; T117-L121 PolarHBondContact O-N 2.95Å; T117-L121 VanDerWaalsContact O-N 3.09Å | ||
| 118 | D | 88 | Confident | 84.5 | Confident | 97 Ų | 97 | 65.6 Ų | 65.6 | 52% | 0.519 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -54.1 | -40.2 | 176.9 | -67.3 | -6.1 | 0 | 0 | 0 | 111.9 | L105 T120 L121 L122 | L105-D118 HydrophobicContact CB-CB 4.02Å; L105-D118 HydrophobicContact CD2-CB 4.28Å; D118-T120 PolarHBondContact O-N 3.08Å; D118-L121 PolarHBondContact O-N 3.47Å; D118-L122 VanDerWaalsContact O-CG 3.31Å; D118-L122 WeakPolarHBondContact O-CG 3.28Å; D118-L122 PolarHBondContact O-N 2.66Å |
| 119 | E | 85.4 | Confident | 84.8 | Confident | 106 Ų | 106 | 67 Ų | 67 | 50% | 0.495 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 176.6 | -63 | 174.6 | 173.1 | 0 | 0 | 112.8 | T117 L122 S123 | T117-E119 PolarHBondContact O-N 3.06Å; E119-L122 PolarHBondContact O-N 3.49Å; E119-S123 WeakPolarHBondContact O-CB 3.01Å; E119-S123 PolarHBondContact O-N 3.33Å; E119-S123 PolarHBondContact O-OG 3.12Å |
| 120 | T | 84.3 | Confident | 84.9 | Confident | 40 Ų | 40 | 70.9 Ų | 70.9 | 25% | 0.245 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -65.7 | -40.6 | 178.3 | 58.4 | 0 | 0 | 0 | 0 | 111.3 | T117 D118 S123 A124 | T117-T120 PolarHBondContact N-OG1 3.33Å; T117-T120 PolarHBondContact O-N 2.98Å; T117-T120 PolarHBondContact O-OG1 3.09Å; T117-T120 WeakPolarHBondContact OG1-CG2 3.35Å; T117-T120 PolarHBondContact OG1-N 3.23Å; T117-T120 PolarHBondContact OG1-OG1 3.44Å; D118-T120 PolarHBondContact O-N 3.08Å; T120-S123 PolarHBondContact O-N 3.05Å; T120-A124 WeakPolarHBondContact O-CB 3.31Å; T120-A124 PolarHBondContact O-N 3.3Å |
| 121 | L | 87.3 | Confident | 84.9 | Confident | 36 Ų | 36 | 68.7 Ų | 68.7 | 19% | 0.188 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -65.6 | -45.2 | 177.9 | 179.7 | 60.3 | 0 | 0 | 0 | 111.5 | L105 L109 T117 D118 S123 A124 I125 | L105-L121 HydrophobicContact CD1-CD2 3.85Å; L105-L121 HydrophobicContact CD1-CG 4.27Å; L105-L121 HydrophobicContact CD2-CD2 3.77Å; L105-L121 HydrophobicContact CG-CD2 4.49Å; L109-L121 HydrophobicContact CB-CD2 4.49Å; T117-L121 PolarHBondContact O-N 2.95Å; T117-L121 VanDerWaalsContact O-N 3.09Å; D118-L121 PolarHBondContact O-N 3.47Å; L121-S123 VanDerWaalsContact C-N 3.32Å; L121-S123 PolarHBondContact O-N 3.22Å; L121-A124 PolarHBondContact O-N 2.93Å; L121-I125 HydrophobicContact CD1-CD1 4.11Å; L121-I125 HydrophobicContact CD1-CG1 4.34Å; L121-I125 HydrophobicContact CG-CD1 3.95Å; L121-I125 VanDerWaalsContact O-CG1 3.28Å; L121-I125 WeakPolarHBondContact O-CG1 3.33Å; L121-I125 PolarHBondContact O-N 3.2Å |
| 122 | L | 89.3 | Confident | 84.9 | Confident | 22 Ų | 22 | 70 Ų | 70 | 12% | 0.115 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 176.4 | -72.1 | 179.4 | 0 | 0 | 0 | 112.1 | M103 L105 D118 E119 I125 A126 | M103-L122 HydrophobicContact CB-CD1 4.2Å; M103-L122 HydrophobicContact CE-CB 4.43Å; M103-L122 HydrophobicContact CE-CD1 3.87Å; M103-L122 HydrophobicContact CE-CD2 3.32Å; M103-L122 HydrophobicContact CE-CG 4.06Å; M103-L122 WeakPolarHBondContact O-CD1 3.31Å; L105-L122 HydrophobicContact CB-CD1 4.48Å; L105-L122 HydrophobicContact CD1-CD2 3.46Å; L105-L122 VanDerWaalsContact CD1-CD2 3.46Å; L105-L122 HydrophobicContact CD1-CG 3.86Å; D118-L122 VanDerWaalsContact O-CG 3.31Å; D118-L122 WeakPolarHBondContact O-CG 3.28Å; D118-L122 PolarHBondContact O-N 2.66Å; E119-L122 PolarHBondContact O-N 3.49Å; L122-I125 PolarHBondContact O-N 3.02Å; L122-A126 WeakPolarHBondContact O-CB 3.48Å; L122-A126 PolarHBondContact O-N 3Å |
| 123 | S | 85.6 | Confident | 85.1 | Confident | 52 Ų | 52 | 73.2 Ų | 73.2 | 36% | 0.364 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 176.5 | -60.2 | 0 | 0 | 0 | 0 | 112.1 | E119 T120 L121 S127 | E119-S123 WeakPolarHBondContact O-CB 3.01Å; E119-S123 PolarHBondContact O-N 3.33Å; E119-S123 PolarHBondContact O-OG 3.12Å; T120-S123 PolarHBondContact O-N 3.05Å; L121-S123 VanDerWaalsContact C-N 3.32Å; L121-S123 PolarHBondContact O-N 3.22Å; S123-S127 VanDerWaalsContact O-CB 3.31Å; S123-S127 WeakPolarHBondContact O-CB 3.4Å; S123-S127 PolarHBondContact O-N 3.35Å; S123-S127 PolarHBondContact O-OG 3.3Å |
| 124 | A | 85.1 | Confident | 85.7 | Confident | 40 Ų | 40 | 77.7 Ų | 77.7 | 33% | 0.331 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T120 L121 S127 A128 | T120-A124 WeakPolarHBondContact O-CB 3.31Å; T120-A124 PolarHBondContact O-N 3.3Å; L121-A124 PolarHBondContact O-N 2.93Å; A124-S127 PolarHBondContact O-N 2.94Å; A124-A128 WeakPolarHBondContact O-CB 3.46Å; A124-A128 PolarHBondContact O-N 2.97Å |
| 125 | I | 88.1 | Confident | 86.2 | Confident | 39 Ų | 39 | 76.4 Ų | 76.4 | 20% | 0.2 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -61.3 | -49.6 | 175.9 | -69.1 | 166.5 | 0 | 0 | 0 | 110.2 | L109 L121 L122 S127 A128 L129 I136 | L109-I125 HydrophobicContact CD2-CD1 3.56Å; L121-I125 HydrophobicContact CD1-CD1 4.11Å; L121-I125 HydrophobicContact CD1-CG1 4.34Å; L121-I125 HydrophobicContact CG-CD1 3.95Å; L121-I125 VanDerWaalsContact O-CG1 3.28Å; L121-I125 WeakPolarHBondContact O-CG1 3.33Å; L121-I125 PolarHBondContact O-N 3.2Å; L122-I125 PolarHBondContact O-N 3.02Å; I125-S127 VanDerWaalsContact C-N 3.3Å; I125-S127 PolarHBondContact O-N 3.37Å; I125-A128 PolarHBondContact O-N 3.12Å; I125-L129 HydrophobicContact CG2-CD1 4.11Å; I125-L129 HydrophobicContact CG2-CG 4.44Å; I125-L129 WeakPolarHBondContact O-CG 3.27Å; I125-L129 PolarHBondContact O-N 3.17Å; I125-I136 HydrophobicContact CB-CD1 4.43Å; I125-I136 HydrophobicContact CG2-CD1 3.86Å; I125-I136 WeakPolarHBondContact O-CD1 3.36Å |
| 126 | A | 88.6 | Confident | 86.8 | Confident | 57 Ų | 57 | 76.7 Ų | 76.7 | 47% | 0.471 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -58.6 | -43 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L122 L129 H130 | L122-A126 WeakPolarHBondContact O-CB 3.48Å; L122-A126 PolarHBondContact O-N 3Å; A126-L129 PolarHBondContact O-N 3.39Å; A126-H130 WeakPolarHBondContact O-CB 3.27Å; A126-H130 PolarHBondContact O-N 3.1Å |
| 127 | S | 86.8 | Confident | 87 | Confident | 48 Ų | 48 | 79.8 Ų | 79.8 | 34% | 0.336 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 177.4 | -60.8 | 0 | 0 | 0 | 0 | 112.1 | S123 A124 I125 H130 T131 | S123-S127 VanDerWaalsContact O-CB 3.31Å; S123-S127 WeakPolarHBondContact O-CB 3.4Å; S123-S127 PolarHBondContact O-N 3.35Å; S123-S127 PolarHBondContact O-OG 3.3Å; A124-S127 PolarHBondContact O-N 2.94Å; I125-S127 VanDerWaalsContact C-N 3.3Å; I125-S127 PolarHBondContact O-N 3.37Å; S127-H130 PolarHBondContact O-N 2.85Å; S127-T131 WeakPolarHBondContact O-CB 3.39Å; S127-T131 WeakPolarHBondContact O-CG2 3.19Å; S127-T131 PolarHBondContact O-N 3.16Å; S127-T131 PolarHBondContact O-OG1 3.38Å |
| 128 | A | 87.9 | Confident | 87 | Confident | 36 Ų | 36 | 79.7 Ų | 79.7 | 30% | 0.298 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A124 I125 H130 T131 S132 I136 | A124-A128 WeakPolarHBondContact O-CB 3.46Å; A124-A128 PolarHBondContact O-N 2.97Å; I125-A128 PolarHBondContact O-N 3.12Å; A128-H130 VanDerWaalsContact C-N 3.29Å; A128-H130 PolarHBondContact O-N 3.42Å; A128-T131 PolarHBondContact O-N 3.28Å; A128-S132 WeakPolarHBondContact O-CA 3.4Å; A128-S132 VanDerWaalsContact O-CB 3.29Å; A128-S132 WeakPolarHBondContact O-CB 3.38Å; A128-S132 PolarHBondContact O-N 3.39Å; A128-I136 HydrophobicContact CB-CD1 3.65Å; A128-I136 HydrophobicContact CB-CG1 4.21Å |
| 129 | L | 89.7 | Confident | 86.6 | Confident | 109 Ų | 109 | 82 Ų | 82 | 57% | 0.571 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.1 | -31.8 | 174.7 | -67.7 | 176.8 | 0 | 0 | 0 | 112.8 | I125 A126 S132 I136 | I125-L129 HydrophobicContact CG2-CD1 4.11Å; I125-L129 HydrophobicContact CG2-CG 4.44Å; I125-L129 WeakPolarHBondContact O-CG 3.27Å; I125-L129 PolarHBondContact O-N 3.17Å; A126-L129 PolarHBondContact O-N 3.39Å; L129-S132 VanDerWaalsContact O-O 3.12Å; L129-I136 HydrophobicContact CD1-CD1 4.45Å; L129-I136 HydrophobicContact CD2-CD1 3.52Å; L129-I136 HydrophobicContact CD2-CG1 3.97Å; L129-I136 HydrophobicContact CG-CD1 3.53Å; L129-I136 HydrophobicContact CG-CG1 4.49Å |
| 130 | H | 88.5 | Confident | 85.9 | Confident | 167 Ų | 167 | 85.8 Ų | 85.8 | 77% | 0.773 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -76.5 | -36 | 178.8 | -173 | 66.9 | 0 | 0 | 0 | 112.6 | A126 S127 A128 | A126-H130 WeakPolarHBondContact O-CB 3.27Å; A126-H130 PolarHBondContact O-N 3.1Å; S127-H130 PolarHBondContact O-N 2.85Å; A128-H130 VanDerWaalsContact C-N 3.29Å; A128-H130 PolarHBondContact O-N 3.42Å |
| 131 | T | 87.9 | Confident | 84.8 | Confident | 117 Ų | 117 | 88.2 Ų | 88.2 | 72% | 0.718 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -93.6 | -19 | -174.7 | 55.9 | 0 | 0 | 0 | 0 | 113.6 | S127 A128 | S127-T131 WeakPolarHBondContact O-CB 3.39Å; S127-T131 WeakPolarHBondContact O-CG2 3.19Å; S127-T131 PolarHBondContact O-N 3.16Å; S127-T131 PolarHBondContact O-OG1 3.38Å; A128-T131 PolarHBondContact O-N 3.28Å |
| 132 | S | 85.3 | Confident | 83.4 | Confident | 49 Ų | 49 | 91.2 Ų | 91.2 | 34% | 0.343 | 56% | 0.558 | S | S | . | * | trans | -132.4 | 141.5 | -177.5 | -176.4 | 0 | 0 | 0 | 0 | 111.2 | A128 L129 M134 | A128-S132 WeakPolarHBondContact O-CA 3.4Å; A128-S132 VanDerWaalsContact O-CB 3.29Å; A128-S132 WeakPolarHBondContact O-CB 3.38Å; A128-S132 PolarHBondContact O-N 3.39Å; L129-S132 VanDerWaalsContact O-O 3.12Å; S132-M134 VanDerWaalsContact C-N 3.32Å; S132-M134 WeakPolarHBondContact OG-CB 3.48Å; S132-M134 PolarHBondContact OG-N 3.11Å; S132-M134 VanDerWaalsContact OG-N 3.11Å | ||
| 133 | T | 86.3 | Confident | 81.7 | Confident | 151 Ų | 151 | 93.9 Ų | 93.9 | 93% | 0.926 | 58% | 0.584 | S | S | * | * | trans | -90.3 | 0.9 | 171.1 | 59.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 134 | M | 89.4 | Confident | 80.1 | Confident | 135 Ų | 135 | 95.4 Ų | 95.4 | 67% | 0.665 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -78.9 | 147.8 | 178.7 | -67.1 | -172.7 | 67.5 | 0 | 0 | 111.3 | S132 | S132-M134 VanDerWaalsContact C-N 3.32Å; S132-M134 WeakPolarHBondContact OG-CB 3.48Å; S132-M134 PolarHBondContact OG-N 3.11Å; S132-M134 VanDerWaalsContact OG-N 3.11Å |
| 135 | P | 86.7 | Confident | 78.2 | Confident | 107 Ų | 107 | 101.7 Ų | 101.7 | 70% | 0.695 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 139.4 | 173.9 | 26.8 | -33.9 | 0 | 0 | 0 | 110.5 | T137 | P135-T137 PolarHBondContact O-N 3.21Š|
| 136 | I | 86.7 | Confident | 76.1 | Confident | 82 Ų | 82 | 109.2 Ų | 109.2 | 42% | 0.421 | 65% | 0.645 | S | S | . | * | P | Polyproline II helix | trans | -82.7 | 117.2 | 172.6 | -61.9 | 175.8 | 0 | 0 | 0 | 107.9 | I125 A128 L129 | I125-I136 HydrophobicContact CB-CD1 4.43Å; I125-I136 HydrophobicContact CG2-CD1 3.86Å; I125-I136 WeakPolarHBondContact O-CD1 3.36Å; A128-I136 HydrophobicContact CB-CD1 3.65Å; A128-I136 HydrophobicContact CB-CG1 4.21Å; L129-I136 HydrophobicContact CD1-CD1 4.45Å; L129-I136 HydrophobicContact CD2-CD1 3.52Å; L129-I136 HydrophobicContact CD2-CG1 3.97Å; L129-I136 HydrophobicContact CG-CD1 3.53Å; L129-I136 HydrophobicContact CG-CG1 4.49Å |
| 137 | T | 85.8 | Confident | 73.5 | Confident | 118 Ų | 118 | 117.2 Ų | 117.2 | 72% | 0.724 | 68% | 0.679 | S | S | * | * | trans | -105.2 | 136.1 | 174.9 | 56.4 | 0 | 0 | 0 | 0 | 109.8 | P135 | P135-T137 PolarHBondContact O-N 3.21Š| ||
| 138 | G | 83.8 | Confident | 72.9 | Confident | 66 Ų | 66 | 120.7 Ų | 120.7 | 68% | 0.68 | 70% | 0.696 | S | S | * | * | trans | -70 | 174.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 139 | Q | 81.1 | Confident | 72.1 | Confident | 145 Ų | 145 | 125.1 Ų | 125.1 | 68% | 0.678 | 72% | 0.717 | S | S | * | * | trans | -76.3 | 132.6 | 170.9 | -69.6 | -177.8 | -16.6 | 0 | 0 | 110.3 | ||||
| 140 | L | 69.1 | Low | 71.1 | Confident | 186 Ų | 186 | 126 Ų | 126 | 97% | 0.974 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -86.2 | -8.4 | 178.7 | -63.9 | 172.4 | 0 | 0 | 0 | 113.1 | ||
| 141 | S | 62.6 | Low | 70.1 | Confident | 90 Ų | 90 | 123.6 Ų | 123.6 | 63% | 0.629 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -137.6 | 133.1 | -176 | -160.9 | 0 | 0 | 0 | 0 | 110.9 | A143 | S141-A143 PolarHBondContact O-N 3.01Š|
| 142 | A | 57.2 | Low | 69 | Low | 99 Ų | 99 | 124 Ų | 124 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | trans | -79.9 | 15.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V144 | A142-V144 VanDerWaalsContact C-N 3.34Å; A142-V144 PolarHBondContact O-N 2.94Å | ||
| 143 | A | 53.6 | Low | 67.9 | Low | 78 Ų | 78 | 129 Ų | 129 | 65% | 0.645 | 75% | 0.749 | S | S | * | * | trans | -77.9 | 84.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | S141 E145 | S141-A143 PolarHBondContact O-N 3.01Å; A143-E145 VanDerWaalsContact C-N 3.26Å; A143-E145 PolarHBondContact O-N 3.1Å | ||
| 144 | V | 53 | Low | 66.6 | Low | 85 Ų | 85 | 127.4 Ų | 127.4 | 52% | 0.515 | 74% | 0.736 | S | S | . | * | trans | -69 | 88.9 | 159.4 | 175.4 | 0 | 0 | 0 | 0 | 106.7 | V112 A142 K146 | V112-V144 HydrophobicContact CB-CG2 4.31Å; A142-V144 VanDerWaalsContact C-N 3.34Å; A142-V144 PolarHBondContact O-N 2.94Å; V144-K146 PolarHBondContact O-N 3.26Å; V144-K146 VanDerWaalsContact O-N 3.11Å | ||
| 145 | E | 45 | Very low | 64.8 | Low | 172 Ų | 172 | 126.8 Ų | 126.8 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | trans | -64 | 111.9 | 164.5 | -104.6 | -165 | 162.3 | 0 | 0 | 107.9 | A143 N147 | A143-E145 VanDerWaalsContact C-N 3.26Å; A143-E145 PolarHBondContact O-N 3.1Å; E145-N147 PolarHBondContact O-N 3.11Å | ||
| 146 | K | 43.8 | Very low | 63 | Low | 197 Ų | 197 | 128.5 Ų | 128.5 | 86% | 0.857 | 75% | 0.745 | S | S | * | * | trans | -58.8 | 116.4 | 173 | -65.5 | -170 | 175.6 | -177.4 | 0 | 109.2 | V144 | V144-K146 PolarHBondContact O-N 3.26Å; V144-K146 VanDerWaalsContact O-N 3.11Å | ||
| 147 | N | 34.2 | Very low | 60.8 | Low | 224 Ų | 224 | 132.7 Ų | 132.7 | 100% | 1.198 | 78% | 0.775 | S | S | * | * | trans | -126.7 | 0 | 156.5 | -88.1 | -75.2 | 0 | 0 | 0 | 108.8 | E145 | E145-N147 PolarHBondContact O-N 3.11Š|
Retrieved 147 of 147 residues in 59.6 ms
(Link to these results)