| 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 | 50.9 | Low | 58.9 | Low | 244 Ų | 244 | 163.2 Ų | 163.2 | 100% | 1.202 | 86% | 0.858 | S | S | * | * | 0 | 96.8 | 0 | -71.9 | 141.3 | 170.7 | 0 | 0 | 108 | |||||
| 2 | A | 63.8 | Low | 58.2 | Low | 93 Ų | 93 | 165.3 Ų | 165.3 | 77% | 0.769 | 86% | 0.86 | S | S | * | * | trans | -148.6 | 86.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | T4 | A2-T4 PolarHBondContact O-N 3.44Å; A2-T4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | D | 66.1 | Low | 57.5 | Low | 163 Ų | 163 | 165.4 Ų | 165.4 | 87% | 0.872 | 85% | 0.854 | S | S | * | * | trans | -65.6 | 103.9 | 175.1 | -81.4 | -74.1 | 0 | 0 | 0 | 109.4 | R5 | D3-R5 PolarHBondContact O-N 3.32Š| ||
| 4 | T | 64.3 | Low | 57 | Low | 132 Ų | 132 | 167.6 Ų | 167.6 | 81% | 0.81 | 85% | 0.854 | S | S | * | * | trans | -67.1 | 112.5 | 164.6 | 40.4 | 0 | 0 | 0 | 0 | 109.2 | A2 P6 | A2-T4 PolarHBondContact O-N 3.44Å; A2-T4 VanDerWaalsContact O-N 3.09Å; T4-P6 WeakPolarHBondContact O-CD 3.28Å | ||
| 5 | R | 67.3 | Low | 56.8 | Low | 243 Ų | 243 | 165.8 Ų | 165.8 | 92% | 0.917 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 123.4 | 167.3 | -83.3 | 174.4 | 150 | -171.5 | -8.2 | 109.9 | D3 | D3-R5 PolarHBondContact O-N 3.32Š|
| 6 | P | 61.9 | Low | 56.5 | Low | 125 Ų | 125 | 165.3 Ų | 165.3 | 81% | 0.812 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 157 | 174.3 | 31.3 | -30.4 | 0 | 0 | 0 | 111.6 | T4 | T4-P6 WeakPolarHBondContact O-CD 3.28Š|
| 7 | A | 57 | Low | 56.7 | Low | 88 Ų | 88 | 159.5 Ų | 159.5 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -71 | 135.6 | -167.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 8 | E | 58 | Low | 56.9 | Low | 197 Ų | 197 | 158.1 Ų | 158.1 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | trans | -104.5 | 66 | 178.2 | -161.8 | 179.7 | 108.2 | 0 | 0 | 109.7 | ||||
| 9 | K | 51.6 | Low | 57.5 | Low | 186 Ų | 186 | 153.8 Ų | 153.8 | 81% | 0.809 | 80% | 0.798 | S | S | * | * | trans | -138.9 | 18.9 | -174.7 | -75.2 | -164.3 | 178.3 | -175.3 | 0 | 116.9 | ||||
| 10 | D | 54 | Low | 58.5 | Low | 132 Ų | 132 | 153.8 Ų | 153.8 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | -107.7 | 6.7 | -172.6 | -78.8 | -60.8 | 0 | 0 | 0 | 117.1 | ||||
| 11 | E | 53.1 | Low | 59.7 | Low | 192 Ų | 192 | 150.2 Ų | 150.2 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -89.5 | -10.3 | -179.4 | -74 | -169.7 | 110.9 | 0 | 0 | 115.4 | ||
| 12 | Q | 50 | Low | 61.3 | Low | 189 Ų | 189 | 142.9 Ų | 142.9 | 88% | 0.883 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -91.1 | -1.8 | -175.6 | -78.4 | 175.2 | 5.5 | 0 | 0 | 115.2 | ||
| 13 | Q | 49.3 | Very low | 62.4 | Low | 166 Ų | 166 | 142 Ų | 142 | 78% | 0.776 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -100.6 | -3.5 | -176.6 | -79.8 | -179.2 | 22.4 | 0 | 0 | 116 | Q15 | Q13-Q15 PolarHBondContact O-N 3.35Š|
| 14 | K | 50.7 | Low | 63.5 | Low | 197 Ų | 197 | 140.2 Ų | 140.2 | 86% | 0.857 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -79.5 | -8.9 | -178.2 | -88.4 | -173.8 | 174.8 | -172.9 | 0 | 116.2 | N16 | K14-N16 PolarHBondContact O-N 2.99Š|
| 15 | Q | 53.9 | Low | 64.7 | Low | 140 Ų | 140 | 141.5 Ų | 141.5 | 65% | 0.654 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -87.2 | -1.2 | -174.9 | -68 | -177 | -0.7 | 0 | 0 | 115 | Q13 | Q13-Q15 PolarHBondContact O-N 3.35Š|
| 16 | N | 52.4 | Low | 65.9 | Low | 158 Ų | 158 | 130.8 Ų | 130.8 | 85% | 0.845 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -108.1 | 17.6 | -171.7 | -129.2 | 11.9 | 0 | 0 | 0 | 114.3 | K14 | K14-N16 PolarHBondContact O-N 2.99Š|
| 17 | A | 59.2 | Low | 67.4 | Low | 67 Ų | 67 | 129.5 Ų | 129.5 | 55% | 0.554 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -66.7 | 142 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | R19 | A17-R19 PolarHBondContact O-N 3.25Š|
| 18 | P | 61.6 | Low | 69.3 | Low | 133 Ų | 133 | 125.3 Ų | 125.3 | 86% | 0.864 | 61% | 0.605 | S | S | * | * | trans | -62.3 | 100.9 | 175.9 | 26.6 | -33.2 | 0 | 0 | 0 | 108.5 | ||||
| 19 | R | 67.5 | Low | 71 | Confident | 78 Ų | 78 | 118.2 Ų | 118.2 | 29% | 0.294 | 58% | 0.575 | S | S | . | * | trans | -69.3 | 134.5 | 178.3 | -65.9 | -179.4 | 174.7 | 174.5 | -14.8 | 108.4 | A17 V21 V81 D84 E88 | A17-R19 PolarHBondContact O-N 3.25Å; R19-V21 PolarHBondContact O-N 3.22Å; R19-V21 VanDerWaalsContact O-N 3.16Å; R19-V81 HydrophobicContact CB-CB 4.04Å; R19-V81 HydrophobicContact CB-CG1 4.5Å; R19-V81 HydrophobicContact CB-CG2 4.37Å; R19-D84 IonicContact NH2-OD2 3.91Å; R19-E88 IonicContact CZ-OE1 3.83Å; R19-E88 IonicContact CZ-OE2 3.8Å; R19-E88 VanDerWaalsContact CZ-OE2 3.31Å; R19-E88 IonicContact NH1-OE1 2.85Å; R19-E88 PolarHBondContact NH1-OE1 3.5Å; R19-E88 IonicContact NH1-OE2 2.8Å; R19-E88 PolarHBondContact NH1-OE2 2.88Å; R19-E88 IonicContact NH2-OE2 2.68Å; R19-E88 PolarHBondContact NH2-OE2 3.07Å | ||
| 20 | K | 78.5 | Confident | 73.2 | Confident | 152 Ų | 152 | 109.4 Ų | 109.4 | 66% | 0.661 | 54% | 0.537 | S | S | * | . | trans | -66.5 | 115.3 | 178.4 | -171.7 | 177.9 | 179.1 | -173.4 | 0 | 108.3 | M22 V81 E82 | K20-M22 PolarHBondContact O-N 2.8Å; K20-V81 WeakPolarHBondContact O-CA 3.49Å; K20-E82 PolarHBondContact O-N 3.16Å | ||
| 21 | V | 81.9 | Confident | 75.1 | Confident | 79 Ų | 79 | 108 Ų | 108 | 48% | 0.479 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 118.3 | 169.9 | -177.8 | 0 | 0 | 0 | 0 | 107.3 | R19 Y79 V81 | R19-V21 PolarHBondContact O-N 3.22Å; R19-V21 VanDerWaalsContact O-N 3.16Å; V21-Y79 HydrophobicContact CG1-CD1 4.09Å; V21-V81 HydrophobicContact CG2-CG1 4.03Å |
| 22 | M | 85.3 | Confident | 77.1 | Confident | 90 Ų | 90 | 103.1 Ų | 103.1 | 44% | 0.443 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -45.2 | 176.8 | -69.4 | 176.5 | 160 | 0 | 0 | 110.3 | K20 V80 E82 | K20-M22 PolarHBondContact O-N 2.8Å; M22-V80 HydrophobicContact CB-CG1 4.42Å; M22-V80 PolarHBondContact N-O 2.97Å; M22-E82 HydrophobicContact CE-CB 3.63Å; M22-E82 HydrophobicContact CE-CG 3.67Å; M22-E82 HydrophobicContact SD-CB 4.29Å |
| 23 | E | 87.8 | Confident | 79.3 | Confident | 74 Ų | 74 | 95.1 Ų | 95.1 | 35% | 0.346 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 141.5 | -178.4 | -61.8 | 174.7 | -148.1 | 0 | 0 | 111.1 | V26 R44 Y79 V80 | E23-V26 HydrophobicContact CB-CG2 3.61Å; E23-V26 WeakPolarHBondContact OE2-CG2 3.36Å; E23-R44 IonicContact OE1-CZ 3.31Å; E23-R44 IonicContact OE1-NH1 3.89Å; E23-R44 PolarHBondContact OE1-NH1 3.31Å; E23-R44 IonicContact OE2-CZ 3.29Å; E23-R44 IonicContact OE2-NH1 3.99Å; E23-R44 PolarHBondContact OE2-NH1 3.32Å; E23-Y79 CarbonylContact O-C 3.55Å; E23-Y79 WeakPolarHBondContact O-CA 3.28Å; E23-V80 HydrophobicContact CB-CB 4.05Å; E23-V80 HydrophobicContact CB-CG2 4.14Å; E23-V80 PolarHBondContact N-O 3.1Å; E23-V80 PolarHBondContact O-N 3.12Å |
| 24 | E | 88.7 | Confident | 81.4 | Confident | 127 Ų | 127 | 90.4 Ų | 90.4 | 59% | 0.593 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 134.6 | -178.4 | 165.8 | 162 | -163.1 | 0 | 0 | 111.3 | V26 Y79 | E24-V26 PolarHBondContact O-N 3.27Å; E24-Y79 HydrophobicContact CB-CD1 3.88Å; E24-Y79 HydrophobicContact CB-CE1 3.87Å; E24-Y79 HydrophobicContact CG-CD1 3.89Å; E24-Y79 HydrophobicContact CG-CE1 3.36Å |
| 25 | R | 88.4 | Confident | 83.4 | Confident | 159 Ų | 159 | 81.9 Ų | 81.9 | 60% | 0.6 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51 | 49.5 | 172.1 | -65.9 | 179.5 | -171.5 | -158.1 | 1.3 | 114.7 | F78 Y79 | R25-F78 CarbonylContact C-O 3.57Å; R25-F78 WeakPolarHBondContact CA-O 3.41Å; R25-F78 PolarHBondContact N-O 3.49Å; R25-Y79 HydrophobicContact CG-CE1 4.4Å; R25-Y79 HydrophobicContact CG-CE2 4.36Å; R25-Y79 PolarHBondContact NE-OH 3.14Å |
| 26 | V | 93.6 | Very high | 85.2 | Confident | 17 Ų | 17 | 84.8 Ų | 84.8 | 10% | 0.103 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 139 | 172.8 | 179.2 | 0 | 0 | 0 | 0 | 110 | E23 E24 R44 E77 F78 V80 | E23-V26 HydrophobicContact CB-CG2 3.61Å; E23-V26 WeakPolarHBondContact OE2-CG2 3.36Å; E24-V26 PolarHBondContact O-N 3.27Å; V26-R44 HydrophobicContact CG1-CG 3.62Å; V26-E77 WeakPolarHBondContact O-CA 3.38Å; V26-F78 HydrophobicContact CB-CE2 4.33Å; V26-F78 HydrophobicContact CB-CZ 4.29Å; V26-F78 HydrophobicContact CG1-CE1 4.42Å; V26-F78 HydrophobicContact CG1-CE2 4.39Å; V26-F78 HydrophobicContact CG1-CZ 3.99Å; V26-F78 PolarHBondContact N-O 2.99Å; V26-F78 WeakPolarHBondContact O-CD1 3.38Å; V26-F78 PolarHBondContact O-N 3.09Å; V26-V80 HydrophobicContact CB-CG2 4.29Å; V26-V80 HydrophobicContact CG2-CG2 3.87Å |
| 27 | K | 94 | Very high | 87.2 | Confident | 99 Ų | 99 | 79.4 Ų | 79.4 | 43% | 0.43 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 139.3 | 173.8 | -66.9 | -174 | 176 | -159.6 | 0 | 111.5 | Q45 V76 E77 | K27-Q45 PolarHBondContact O-N 3.44Å; K27-V76 WeakPolarHBondContact CA-O 3.38Å; K27-E77 VanDerWaalsContact CE-OE1 3.28Å; K27-E77 WeakPolarHBondContact CE-OE1 3.46Å; K27-E77 HydrophobicContact CG-CG 3.94Å; K27-E77 IonicContact NZ-OE1 2.7Å |
| 28 | G | 95.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 169.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | N43 E75 V76 | G28-N43 CarbonylContact C-O 3.54Å; G28-N43 WeakPolarHBondContact CA-O 3.02Å; G28-E75 WeakPolarHBondContact O-CA 3.38Å; G28-V76 PolarHBondContact N-O 3.39Å; G28-V76 PolarHBondContact O-N 2.71Å |
| 29 | V | 95.5 | Very high | 90.4 | Very high | 47 Ų | 47 | 74.5 Ų | 74.5 | 29% | 0.285 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 129.3 | 177.7 | -177.4 | 0 | 0 | 0 | 0 | 108.7 | K31 N43 Q45 E74 | V29-K31 PolarHBondContact O-N 2.85Å; V29-K31 VanDerWaalsContact O-N 3.13Å; V29-N43 PolarHBondContact N-O 2.88Å; V29-N43 PolarHBondContact O-N 2.78Å; V29-Q45 HydrophobicContact CG2-CG 4.23Å; V29-E74 WeakPolarHBondContact CA-O 3.24Å |
| 30 | V | 95.7 | Very high | 91.8 | Very high | 2 Ų | 2 | 70.8 Ų | 70.8 | 1% | 0.012 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 114.7 | 178.5 | -179.8 | 0 | 0 | 0 | 0 | 109.3 | F33 I42 L70 Q71 G73 E74 V76 | V30-F33 HydrophobicContact CG1-CB 4.43Å; V30-I42 HydrophobicContact CG2-CG1 4.25Å; V30-L70 HydrophobicContact CG1-CB 3.96Å; V30-L70 HydrophobicContact CG1-CD1 4.5Å; V30-L70 HydrophobicContact CG2-CB 3.99Å; V30-L70 HydrophobicContact CG2-CD1 4Å; V30-L70 HydrophobicContact CG2-CG 4.47Å; V30-Q71 VanDerWaalsContact CB-O 3.26Å; V30-Q71 WeakPolarHBondContact CB-O 3.45Å; V30-Q71 WeakPolarHBondContact CG1-O 3.14Å; V30-G73 PolarHBondContact O-N 2.97Å; V30-E74 HydrophobicContact CG2-CB 4.26Å; V30-E74 WeakPolarHBondContact CG2-O 3.14Å; V30-E74 PolarHBondContact N-O 3.11Å; V30-V76 HydrophobicContact CG2-CG1 3.88Å; V30-V76 HydrophobicContact CG2-CG2 3.92Å |
| 31 | K | 94.9 | Very high | 92.6 | Very high | 101 Ų | 101 | 66.4 Ų | 66.4 | 44% | 0.439 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | -44.8 | 179.7 | -169.7 | -179.9 | 179.7 | 162 | 0 | 111 | V29 F41 D50 E72 | V29-K31 PolarHBondContact O-N 2.85Å; V29-K31 VanDerWaalsContact O-N 3.13Å; K31-F41 WeakPolarHBondContact CB-O 3.37Å; K31-F41 PolarHBondContact N-O 2.97Å; K31-D50 IonicContact NZ-OD1 3.55Å; K31-D50 IonicContact NZ-OD2 2.68Å; K31-D50 PolarHBondContact NZ-OD2 2.83Å; K31-E72 WeakPolarHBondContact O-CG 3.44Å |
| 32 | W | 95.2 | Very high | 93.2 | Very high | 90 Ų | 90 | 62.7 Ų | 62.7 | 34% | 0.341 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.7 | 157.7 | 172.6 | 57.3 | -95.2 | 0 | 0 | 0 | 110.1 | N34 Y39 G40 F41 | W32-N34 HydrophobicContact CZ3-CB 4.14Å; W32-Y39 AromaticContact CH2-CD2 3.9Å; W32-Y39 HydrophobicContact CH2-CD2 3.9Å; W32-Y39 AromaticContact CH2-CE2 3.6Å; W32-Y39 HydrophobicContact CH2-CE2 3.6Å; W32-Y39 HydrophobicContact CZ3-CD2 4.08Å; W32-Y39 HydrophobicContact CZ3-CE2 4.01Å; W32-G40 VanDerWaalsContact O-CA 3.22Å; W32-G40 WeakPolarHBondContact O-CA 3.38Å; W32-F41 AromaticContact CE2-CD2 3.6Å; W32-F41 AromaticContact CH2-CD2 3.7Å; W32-F41 HydrophobicContact CH2-CD2 3.7Å; W32-F41 AromaticContact CH2-CE2 3.83Å; W32-F41 HydrophobicContact CH2-CE2 3.83Å; W32-F41 AromaticContact CZ2-CD2 3.15Å; W32-F41 HydrophobicContact CZ2-CD2 3.15Å; W32-F41 AromaticContact CZ2-CE2 3.47Å; W32-F41 HydrophobicContact CZ2-CE2 3.47Å; W32-F41 VanDerWaalsContact CZ2-CE2 3.47Å; W32-F41 HydrophobicContact CZ2-CG 4.31Å; W32-F41 PolarHBondContact N-O 2.84Å; W32-F41 AromaticContact NE1-CD2 4Å; W32-F41 PolarHBondContact O-N 2.83Å |
| 33 | F | 95.4 | Very high | 93.7 | Very high | 21 Ų | 21 | 60.6 Ų | 60.6 | 9% | 0.092 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 125.9 | 174.7 | -171.3 | -90 | 0 | 0 | 0 | 111.1 | V30 V35 V53 Q55 I58 S69 L70 | V30-F33 HydrophobicContact CG1-CB 4.43Å; F33-V35 HydrophobicContact CD1-CG2 4.08Å; F33-V35 HydrophobicContact CE1-CG2 4.36Å; F33-V53 HydrophobicContact CD2-CG1 4.47Å; F33-Q55 HydrophobicContact CZ-CB 4.22Å; F33-I58 HydrophobicContact CE2-CD1 4.23Å; F33-I58 HydrophobicContact CZ-CD1 4.26Å; F33-S69 VanDerWaalsContact CE1-CA 3.48Å; F33-L70 HydrophobicContact CB-CB 4.14Å; F33-L70 HydrophobicContact CD2-CB 4.09Å; F33-L70 HydrophobicContact CD2-CD1 4.14Å; F33-L70 HydrophobicContact CD2-CG 4.16Å; F33-L70 HydrophobicContact CE2-CG 4.46Å; F33-L70 HydrophobicContact CG-CB 4.11Å |
| 34 | N | 94.9 | Very high | 94 | Very high | 68 Ų | 68 | 58 Ų | 58 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 102.5 | 176.4 | -173.4 | -25.7 | 0 | 0 | 0 | 110.1 | W32 K36 A37 G38 Y39 | W32-N34 HydrophobicContact CZ3-CB 4.14Å; N34-K36 VanDerWaalsContact C-N 3.26Å; N34-K36 PolarHBondContact O-N 2.68Å; N34-K36 WeakPolarHBondContact OD1-CB 3.48Å; N34-K36 PolarHBondContact OD1-N 2.64Å; N34-A37 HydrophobicContact CB-CB 4.17Å; N34-A37 PolarHBondContact O-N 2.79Å; N34-A37 PolarHBondContact OD1-N 3.32Å; N34-A37 VanDerWaalsContact OD1-N 3.16Å; N34-G38 PolarHBondContact O-N 3.41Å; N34-Y39 PolarHBondContact N-O 3.31Å |
| 35 | V | 92.4 | Very high | 93.8 | Very high | 18 Ų | 18 | 57 Ų | 57 | 11% | 0.109 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -33.8 | -179.5 | -175.8 | 0 | 0 | 0 | 0 | 112.9 | F33 S103 A106 | F33-V35 HydrophobicContact CD1-CG2 4.08Å; F33-V35 HydrophobicContact CE1-CG2 4.36Å; V35-S103 WeakPolarHBondContact CG2-OG 3.18Å; V35-A106 HydrophobicContact CG1-CB 4.04Å |
| 36 | K | 91.9 | Very high | 93.7 | Very high | 201 Ų | 201 | 56 Ų | 56 | 87% | 0.874 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -40.2 | -179.4 | -176 | 178.6 | 179.3 | -178.4 | 0 | 111.4 | N34 | N34-K36 VanDerWaalsContact C-N 3.26Å; N34-K36 PolarHBondContact O-N 2.68Å; N34-K36 WeakPolarHBondContact OD1-CB 3.48Å; N34-K36 PolarHBondContact OD1-N 2.64Å |
| 37 | A | 93.9 | Very high | 93.4 | Very high | 44 Ų | 44 | 58.1 Ų | 58.1 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -20 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | N34 Y39 | N34-A37 HydrophobicContact CB-CB 4.17Å; N34-A37 PolarHBondContact O-N 2.79Å; N34-A37 PolarHBondContact OD1-N 3.32Å; N34-A37 VanDerWaalsContact OD1-N 3.16Å; A37-Y39 HydrophobicContact CB-CD1 3.51Å; A37-Y39 HydrophobicContact CB-CE1 3.25Å |
| 38 | G | 93.5 | Very high | 93.1 | Very high | 2 Ų | 2 | 57.6 Ų | 57.6 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 23.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | N34 H54 Q55 | N34-G38 PolarHBondContact O-N 3.41Å; G38-H54 PolarHBondContact O-CD2 2.81Å; G38-Q55 VanDerWaalsContact O-CB 3.31Å; G38-Q55 WeakPolarHBondContact O-CB 3.34Å; G38-Q55 WeakPolarHBondContact O-CG 3.3Å; G38-Q55 PolarHBondContact O-N 2.78Å |
| 39 | Y | 94.9 | Very high | 92.9 | Very high | 96 Ų | 96 | 60.2 Ų | 60.2 | 38% | 0.376 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 162.5 | 177.5 | 69.7 | -93.8 | 0 | 0 | 0 | 112.3 | W32 N34 A37 F52 V53 | W32-Y39 AromaticContact CH2-CD2 3.9Å; W32-Y39 HydrophobicContact CH2-CD2 3.9Å; W32-Y39 AromaticContact CH2-CE2 3.6Å; W32-Y39 HydrophobicContact CH2-CE2 3.6Å; W32-Y39 HydrophobicContact CZ3-CD2 4.08Å; W32-Y39 HydrophobicContact CZ3-CE2 4.01Å; N34-Y39 PolarHBondContact N-O 3.31Å; A37-Y39 HydrophobicContact CB-CD1 3.51Å; A37-Y39 HydrophobicContact CB-CE1 3.25Å; Y39-F52 HydrophobicContact CD2-CE2 4.05Å; Y39-F52 HydrophobicContact CG-CE2 4.2Å; Y39-V53 CarbonylContact C-O 3.5Å; Y39-V53 VanDerWaalsContact CA-O 3.25Å; Y39-V53 WeakPolarHBondContact CA-O 3.44Å; Y39-V53 WeakPolarHBondContact CB-O 3.47Å |
| 40 | G | 95.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.5 | -168.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | W32 V53 | W32-G40 VanDerWaalsContact O-CA 3.22Å; W32-G40 WeakPolarHBondContact O-CA 3.38Å; G40-V53 PolarHBondContact N-O 3.34Å; G40-V53 WeakPolarHBondContact O-CG1 3.26Å; G40-V53 PolarHBondContact O-N 3.09Å |
| 41 | F | 96.1 | Very high | 92.8 | Very high | 60 Ų | 60 | 61.1 Ų | 61.1 | 26% | 0.263 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 142.2 | 174.6 | -73.6 | -98.7 | 0 | 0 | 0 | 110.7 | K31 W32 D50 I51 F52 | K31-F41 WeakPolarHBondContact CB-O 3.37Å; K31-F41 PolarHBondContact N-O 2.97Å; W32-F41 AromaticContact CE2-CD2 3.6Å; W32-F41 AromaticContact CH2-CD2 3.7Å; W32-F41 HydrophobicContact CH2-CD2 3.7Å; W32-F41 AromaticContact CH2-CE2 3.83Å; W32-F41 HydrophobicContact CH2-CE2 3.83Å; W32-F41 AromaticContact CZ2-CD2 3.15Å; W32-F41 HydrophobicContact CZ2-CD2 3.15Å; W32-F41 AromaticContact CZ2-CE2 3.47Å; W32-F41 HydrophobicContact CZ2-CE2 3.47Å; W32-F41 VanDerWaalsContact CZ2-CE2 3.47Å; W32-F41 HydrophobicContact CZ2-CG 4.31Å; W32-F41 PolarHBondContact N-O 2.84Å; W32-F41 AromaticContact NE1-CD2 4Å; W32-F41 PolarHBondContact O-N 2.83Å; F41-D50 HydrophobicContact CD1-CB 4.08Å; F41-I51 VanDerWaalsContact CA-O 3.31Å; F41-I51 WeakPolarHBondContact CA-O 3.33Å; F41-F52 HydrophobicContact CE1-CB 4.26Å; F41-F52 HydrophobicContact CE1-CD2 4.43Å; F41-F52 HydrophobicContact CE2-CD2 4.39Å; F41-F52 HydrophobicContact CZ-CD2 4.11Å |
| 42 | I | 95.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 129.2 | 175.3 | -59.4 | 163.7 | 0 | 0 | 0 | 107.4 | V30 I51 V53 L70 V76 F78 A89 V92 | V30-I42 HydrophobicContact CG2-CG1 4.25Å; I42-I51 PolarHBondContact N-O 2.7Å; I42-I51 PolarHBondContact O-N 3.16Å; I42-V53 HydrophobicContact CD1-CB 3.89Å; I42-V53 HydrophobicContact CD1-CG1 3.98Å; I42-V53 HydrophobicContact CD1-CG2 4.14Å; I42-V53 HydrophobicContact CG1-CB 4.29Å; I42-V53 HydrophobicContact CG1-CG1 3.88Å; I42-L70 HydrophobicContact CD1-CD1 4.29Å; I42-V76 HydrophobicContact CD1-CG2 3.83Å; I42-V76 HydrophobicContact CG1-CG2 4.19Å; I42-V76 HydrophobicContact CG2-CG2 3.86Å; I42-F78 HydrophobicContact CB-CE1 4.38Å; I42-F78 HydrophobicContact CD1-CD1 4.19Å; I42-F78 HydrophobicContact CD1-CE1 4.43Å; I42-F78 HydrophobicContact CG2-CD1 4.27Å; I42-F78 HydrophobicContact CG2-CE1 3.56Å; I42-F78 HydrophobicContact CG2-CZ 4.04Å; I42-A89 HydrophobicContact CD1-CB 4.19Å; I42-V92 HydrophobicContact CD1-CG1 4.27Å; I42-V92 HydrophobicContact CD1-CG2 4.43Å |
| 43 | N | 95.3 | Very high | 92.8 | Very high | 46 Ų | 46 | 54.3 Ų | 54.3 | 25% | 0.246 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 120.1 | 173.1 | -169.2 | -93.1 | 0 | 0 | 0 | 109.3 | G28 V29 S48 D50 | G28-N43 CarbonylContact C-O 3.54Å; G28-N43 WeakPolarHBondContact CA-O 3.02Å; V29-N43 PolarHBondContact N-O 2.88Å; V29-N43 PolarHBondContact O-N 2.78Å; N43-S48 PolarHBondContact ND2-O 3.37Å; N43-D50 PolarHBondContact ND2-OD1 2.88Å |
| 44 | R | 92.5 | Very high | 92.8 | Very high | 19 Ų | 19 | 55.9 Ų | 55.9 | 7% | 0.072 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 127.5 | 176.3 | 179.2 | 166.7 | 69.1 | 176.1 | -6.1 | 109.7 | E23 V26 D46 T47 S48 T49 | E23-R44 IonicContact OE1-CZ 3.31Å; E23-R44 IonicContact OE1-NH1 3.89Å; E23-R44 PolarHBondContact OE1-NH1 3.31Å; E23-R44 IonicContact OE2-CZ 3.29Å; E23-R44 IonicContact OE2-NH1 3.99Å; E23-R44 PolarHBondContact OE2-NH1 3.32Å; V26-R44 HydrophobicContact CG1-CG 3.62Å; R44-D46 VanDerWaalsContact C-N 3.28Å; R44-D46 HydrophobicContact CG-CB 4.08Å; R44-D46 PolarHBondContact O-N 3.49Å; R44-T47 VanDerWaalsContact CZ-CG2 3.45Å; R44-T47 PolarHBondContact NE-OG1 3.45Å; R44-T47 PolarHBondContact NH2-OG1 3.47Å; R44-S48 WeakPolarHBondContact O-CA 3.38Å; R44-S48 PolarHBondContact O-N 2.72Å; R44-T49 PolarHBondContact N-O 3.3Å; R44-T49 PolarHBondContact NE-OG1 2.78Å; R44-T49 PolarHBondContact NH2-OG1 2.8Å |
| 45 | Q | 86.3 | Confident | 92.7 | Very high | 107 Ų | 107 | 56 Ų | 56 | 50% | 0.5 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -27.4 | -179.5 | -72.5 | -173.3 | -11.8 | 0 | 0 | 113.2 | K27 V29 | K27-Q45 PolarHBondContact O-N 3.44Å; V29-Q45 HydrophobicContact CG2-CG 4.23Å |
| 46 | D | 86.5 | Confident | 92.7 | Very high | 137 Ų | 137 | 58.5 Ų | 58.5 | 73% | 0.733 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -54.5 | -175.8 | -166.7 | 39.6 | 0 | 0 | 0 | 112.8 | R44 | R44-D46 VanDerWaalsContact C-N 3.28Å; R44-D46 HydrophobicContact CG-CB 4.08Å; R44-D46 PolarHBondContact O-N 3.49Å |
| 47 | T | 86.3 | Confident | 92.7 | Very high | 63 Ų | 63 | 49.5 Ų | 49.5 | 39% | 0.387 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 2.8 | -177.4 | 72.6 | 0 | 0 | 0 | 0 | 114.3 | R44 T49 | R44-T47 VanDerWaalsContact CZ-CG2 3.45Å; R44-T47 PolarHBondContact NE-OG1 3.45Å; R44-T47 PolarHBondContact NH2-OG1 3.47Å; T47-T49 PolarHBondContact O-N 2.83Å; T47-T49 VanDerWaalsContact O-N 3.1Å; T47-T49 WeakPolarHBondContact OG1-CG2 3.38Å; T47-T49 PolarHBondContact OG1-N 2.98Å; T47-T49 PolarHBondContact OG1-OG1 3.39Å |
| 48 | S | 87.8 | Confident | 92.7 | Very high | 88 Ų | 88 | 47.4 Ų | 47.4 | 62% | 0.615 | 25% | 0.252 | S | S | * | . | trans | 55.6 | 23.7 | -175 | -59.8 | 0 | 0 | 0 | 0 | 114.8 | N43 R44 | N43-S48 PolarHBondContact ND2-O 3.37Å; R44-S48 WeakPolarHBondContact O-CA 3.38Å; R44-S48 PolarHBondContact O-N 2.72Å | ||
| 49 | T | 91.7 | Very high | 92.5 | Very high | 54 Ų | 54 | 50 Ų | 50 | 33% | 0.331 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 147 | 175.5 | 48.5 | 0 | 0 | 0 | 0 | 111.1 | R44 T47 | R44-T49 PolarHBondContact N-O 3.3Å; R44-T49 PolarHBondContact NE-OG1 2.78Å; R44-T49 PolarHBondContact NH2-OG1 2.8Å; T47-T49 PolarHBondContact O-N 2.83Å; T47-T49 VanDerWaalsContact O-N 3.1Å; T47-T49 WeakPolarHBondContact OG1-CG2 3.38Å; T47-T49 PolarHBondContact OG1-N 2.98Å; T47-T49 PolarHBondContact OG1-OG1 3.39Å |
| 50 | D | 94.1 | Very high | 92.1 | Very high | 68 Ų | 68 | 52.2 Ų | 52.2 | 36% | 0.364 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 119.3 | 175.8 | -72.6 | -16.7 | 0 | 0 | 0 | 109.4 | K31 F41 N43 | K31-D50 IonicContact NZ-OD1 3.55Å; K31-D50 IonicContact NZ-OD2 2.68Å; K31-D50 PolarHBondContact NZ-OD2 2.83Å; F41-D50 HydrophobicContact CD1-CB 4.08Å; N43-D50 PolarHBondContact ND2-OD1 2.88Å |
| 51 | I | 94.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 133 | 179.8 | -53 | -61.9 | 0 | 0 | 0 | 109.1 | F41 I42 F78 D87 A89 | F41-I51 VanDerWaalsContact CA-O 3.31Å; F41-I51 WeakPolarHBondContact CA-O 3.33Å; I42-I51 PolarHBondContact N-O 2.7Å; I42-I51 PolarHBondContact O-N 3.16Å; I51-F78 HydrophobicContact CB-CE2 4.17Å; I51-F78 HydrophobicContact CB-CZ 4.43Å; I51-F78 HydrophobicContact CG1-CE2 3.99Å; I51-F78 HydrophobicContact CG1-CZ 4.11Å; I51-F78 HydrophobicContact CG2-CE2 3.94Å; I51-D87 HydrophobicContact CD1-CB 3.61Å; I51-A89 HydrophobicContact CG2-CB 3.89Å |
| 52 | F | 95.3 | Very high | 91.4 | Very high | 48 Ų | 48 | 52.1 Ų | 52.1 | 21% | 0.211 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 134.7 | 177.1 | 175 | -108.3 | 0 | 0 | 0 | 110.6 | Y39 F41 H54 D87 E88 A89 | Y39-F52 HydrophobicContact CD2-CE2 4.05Å; Y39-F52 HydrophobicContact CG-CE2 4.2Å; F41-F52 HydrophobicContact CE1-CB 4.26Å; F41-F52 HydrophobicContact CE1-CD2 4.43Å; F41-F52 HydrophobicContact CE2-CD2 4.39Å; F41-F52 HydrophobicContact CZ-CD2 4.11Å; F52-H54 HydrophobicContact CE1-CB 4.09Å; F52-H54 HydrophobicContact CZ-CB 4.27Å; F52-D87 PolarHBondContact N-O 3.21Å; F52-E88 HydrophobicContact CD1-CB 4.31Å; F52-E88 HydrophobicContact CD1-CG 3.82Å; F52-E88 HydrophobicContact CE1-CG 4.47Å; F52-E88 CarbonylContact O-C 3.47Å; F52-E88 WeakPolarHBondContact O-CA 3.49Å; F52-A89 PolarHBondContact O-N 3.47Å |
| 53 | V | 94.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 131.7 | 174.2 | 58.2 | 0 | 0 | 0 | 0 | 111.1 | F33 Y39 G40 I42 L70 A89 V92 | F33-V53 HydrophobicContact CD2-CG1 4.47Å; Y39-V53 CarbonylContact C-O 3.5Å; Y39-V53 VanDerWaalsContact CA-O 3.25Å; Y39-V53 WeakPolarHBondContact CA-O 3.44Å; Y39-V53 WeakPolarHBondContact CB-O 3.47Å; G40-V53 PolarHBondContact N-O 3.34Å; G40-V53 WeakPolarHBondContact O-CG1 3.26Å; G40-V53 PolarHBondContact O-N 3.09Å; I42-V53 HydrophobicContact CD1-CB 3.89Å; I42-V53 HydrophobicContact CD1-CG1 3.98Å; I42-V53 HydrophobicContact CD1-CG2 4.14Å; I42-V53 HydrophobicContact CG1-CB 4.29Å; I42-V53 HydrophobicContact CG1-CG1 3.88Å; V53-L70 HydrophobicContact CG1-CD1 4.06Å; V53-L70 HydrophobicContact CG2-CD1 4Å; V53-A89 HydrophobicContact CB-CB 4.14Å; V53-A89 HydrophobicContact CG2-CB 4.35Å; V53-V92 HydrophobicContact CG2-CG2 3.85Å |
| 54 | H | 94.8 | Very high | 90.3 | Very high | 54 Ų | 54 | 60.4 Ų | 60.4 | 25% | 0.25 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 151.1 | 171.7 | -172.5 | -118.3 | 0 | 0 | 0 | 110.9 | G38 F52 S56 A57 | G38-H54 PolarHBondContact O-CD2 2.81Å; F52-H54 HydrophobicContact CE1-CB 4.09Å; F52-H54 HydrophobicContact CZ-CB 4.27Å; H54-S56 WeakPolarHBondContact ND1-CB 3.04Å; H54-S56 PolarHBondContact ND1-N 3.23Å; H54-S56 PolarHBondContact ND1-OG 2.74Å; H54-S56 PolarHBondContact O-N 3.02Å; H54-S56 VanDerWaalsContact O-N 3.09Å; H54-A57 WeakPolarHBondContact O-CB 3.41Å; H54-A57 PolarHBondContact O-N 2.89Å |
| 55 | Q | 93.2 | Very high | 90 | Very high | 70 Ų | 70 | 60.6 Ų | 60.6 | 33% | 0.327 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -56.9 | -27.5 | 179.1 | 62.6 | 175.7 | -16.5 | 0 | 0 | 113.1 | F33 G38 A57 I58 R68 | F33-Q55 HydrophobicContact CZ-CB 4.22Å; G38-Q55 VanDerWaalsContact O-CB 3.31Å; G38-Q55 WeakPolarHBondContact O-CB 3.34Å; G38-Q55 WeakPolarHBondContact O-CG 3.3Å; G38-Q55 PolarHBondContact O-N 2.78Å; Q55-A57 VanDerWaalsContact C-N 3.29Å; Q55-A57 PolarHBondContact O-N 2.78Å; Q55-I58 PolarHBondContact O-N 2.93Å; Q55-R68 HydrophobicContact CB-CB 4.24Å; Q55-R68 WeakPolarHBondContact O-CD 3.46Å |
| 56 | S | 92.2 | Very high | 89.8 | Confident | 72 Ų | 72 | 60.6 Ų | 60.6 | 50% | 0.503 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -68.6 | -28.4 | 176.7 | 62.3 | 0 | 0 | 0 | 0 | 112.7 | H54 I58 | H54-S56 WeakPolarHBondContact ND1-CB 3.04Å; H54-S56 PolarHBondContact ND1-N 3.23Å; H54-S56 PolarHBondContact ND1-OG 2.74Å; H54-S56 PolarHBondContact O-N 3.02Å; H54-S56 VanDerWaalsContact O-N 3.09Å; S56-I58 VanDerWaalsContact C-N 3.25Å; S56-I58 PolarHBondContact O-N 3.47Å |
| 57 | A | 92.8 | Very high | 89.8 | Confident | 11 Ų | 11 | 57.6 Ų | 57.6 | 9% | 0.091 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -74.8 | -14.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | H54 Q55 S59 A89 E91 V92 | H54-A57 WeakPolarHBondContact O-CB 3.41Å; H54-A57 PolarHBondContact O-N 2.89Å; Q55-A57 VanDerWaalsContact C-N 3.29Å; Q55-A57 PolarHBondContact O-N 2.78Å; A57-S59 PolarHBondContact O-N 3.13Å; A57-S59 VanDerWaalsContact O-N 3.09Å; A57-A89 WeakPolarHBondContact CB-O 3.32Å; A57-E91 CarbonylContact O-C 3.54Å; A57-E91 VanDerWaalsContact O-CA 3.3Å; A57-E91 WeakPolarHBondContact O-CA 3.43Å; A57-E91 PolarHBondContact O-N 2.68Å; A57-V92 HydrophobicContact CB-CG2 4.28Å; A57-V92 PolarHBondContact O-N 2.85Å |
| 58 | I | 93 | Very high | 90 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -74.9 | 101.1 | 178.9 | -56.8 | 171.5 | 0 | 0 | 0 | 108.8 | F33 Q55 S56 R68 L70 V92 V100 | F33-I58 HydrophobicContact CE2-CD1 4.23Å; F33-I58 HydrophobicContact CZ-CD1 4.26Å; Q55-I58 PolarHBondContact O-N 2.93Å; S56-I58 VanDerWaalsContact C-N 3.25Å; S56-I58 PolarHBondContact O-N 3.47Å; I58-R68 HydrophobicContact CB-CB 4.22Å; I58-R68 HydrophobicContact CD1-CB 4.02Å; I58-R68 HydrophobicContact CG2-CB 4.48Å; I58-R68 PolarHBondContact O-NH1 3.43Å; I58-L70 HydrophobicContact CD1-CD1 4.43Å; I58-L70 HydrophobicContact CD1-CD2 4Å; I58-L70 HydrophobicContact CD1-CG 3.82Å; I58-L70 HydrophobicContact CG1-CD2 4.26Å; I58-L70 HydrophobicContact CG1-CG 4.39Å; I58-V92 HydrophobicContact CG1-CB 4.45Å; I58-V100 HydrophobicContact CG2-CG2 3.99Å |
| 59 | S | 89 | Confident | 90.3 | Very high | 58 Ų | 58 | 55.8 Ų | 55.8 | 41% | 0.406 | 28% | 0.284 | S | S | . | . | trans | -73.2 | -46 | -178.6 | -73.5 | 0 | 0 | 0 | 0 | 112.2 | A57 E91 V92 | A57-S59 PolarHBondContact O-N 3.13Å; A57-S59 VanDerWaalsContact O-N 3.09Å; S59-E91 WeakPolarHBondContact OG-CA 3.44Å; S59-V92 PolarHBondContact N-O 2.79Å; S59-V92 VanDerWaalsContact N-O 3.16Å | ||
| 60 | R | 86.9 | Confident | 90.4 | Very high | 141 Ų | 141 | 53.2 Ų | 53.2 | 53% | 0.532 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -110.8 | 84.7 | -175.3 | -64.7 | -175.6 | -177.8 | -160.9 | 1.6 | 111.6 | T93 G97 P99 V100 | R60-T93 HydrophobicContact CB-CG2 4.08Å; R60-T93 HydrophobicContact CG-CG2 3.83Å; R60-G97 WeakPolarHBondContact CD-O 3.31Å; R60-G97 PolarHBondContact NE-O 2.93Å; R60-G97 PolarHBondContact NH1-O 3.07Å; R60-P99 WeakPolarHBondContact O-CA 3.25Å; R60-V100 PolarHBondContact O-N 2.87Å |
| 61 | N | 89.3 | Confident | 90.4 | Very high | 31 Ų | 31 | 53.4 Ų | 53.4 | 17% | 0.166 | 27% | 0.266 | C | S | . | . | trans | -75.7 | 149.9 | 175.7 | 177.3 | 60.4 | 0 | 0 | 0 | 112.8 | K65 Q67 R68 | N61-K65 PolarHBondContact ND2-O 3.29Å; N61-K65 VanDerWaalsContact ND2-O 3.12Å; N61-Q67 PolarHBondContact OD1-O 2.94Å; N61-R68 HydrophobicContact CB-CG 4.07Å; N61-R68 WeakPolarHBondContact OD1-CA 3.46Å | ||
| 62 | N | 88.4 | Confident | 90.4 | Very high | 27 Ų | 27 | 60.1 Ų | 60.1 | 14% | 0.144 | 30% | 0.298 | C | S | . | . | trans | -56.6 | 121.4 | 170.8 | -167 | -27.8 | 0 | 0 | 0 | 110.9 | E64 K65 V100 K101 | N62-E64 PolarHBondContact O-N 3.1Å; N62-E64 VanDerWaalsContact O-N 3.1Å; N62-E64 WeakPolarHBondContact OD1-CB 3.26Å; N62-E64 PolarHBondContact OD1-N 3.38Å; N62-K65 HydrophobicContact CB-CB 4.08Å; N62-K65 HydrophobicContact CB-CG 3.85Å; N62-K65 PolarHBondContact O-N 3.5Å; N62-V100 VanDerWaalsContact CB-O 3.26Å; N62-V100 WeakPolarHBondContact CB-O 3.22Å; N62-K101 PolarHBondContact ND2-O 2.79Å | ||
| 63 | P | 85.1 | Confident | 90.3 | Very high | 92 Ų | 92 | 60.4 Ų | 60.4 | 60% | 0.597 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -19.9 | 177.7 | 25.8 | -35.9 | 0 | 0 | 0 | 113.4 | R109 | P63-R109 WeakPolarHBondContact O-CD 3.11Š|
| 64 | E | 82.1 | Confident | 90.3 | Very high | 128 Ų | 128 | 60.9 Ų | 60.9 | 60% | 0.598 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -11.5 | 176.4 | -56.9 | -166 | 143.6 | 0 | 0 | 113.3 | N62 L108 R109 | N62-E64 PolarHBondContact O-N 3.1Å; N62-E64 VanDerWaalsContact O-N 3.1Å; N62-E64 WeakPolarHBondContact OD1-CB 3.26Å; N62-E64 PolarHBondContact OD1-N 3.38Å; E64-L108 CarbonylContact O-C 3.41Å; E64-L108 VanDerWaalsContact O-CA 3.22Å; E64-L108 WeakPolarHBondContact O-CA 3.43Å; E64-R109 PolarHBondContact O-N 3.14Å |
| 65 | K | 85.1 | Confident | 90.3 | Very high | 23 Ų | 23 | 61.9 Ų | 61.9 | 10% | 0.1 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -108.3 | 134.6 | -176.9 | -63.4 | -76.8 | 178.5 | 161 | 0 | 110.8 | N61 N62 S103 A106 A107 L108 R109 | N61-K65 PolarHBondContact ND2-O 3.29Å; N61-K65 VanDerWaalsContact ND2-O 3.12Å; N62-K65 HydrophobicContact CB-CB 4.08Å; N62-K65 HydrophobicContact CB-CG 3.85Å; N62-K65 PolarHBondContact O-N 3.5Å; K65-S103 PolarHBondContact NZ-O 2.94Å; K65-A106 HydrophobicContact CD-CB 3.99Å; K65-A106 WeakPolarHBondContact CD-O 3.38Å; K65-A106 PolarHBondContact NZ-O 3.22Å; K65-A107 WeakPolarHBondContact CA-O 3.49Å; K65-L108 HydrophobicContact CD-CD2 3.87Å; K65-R109 WeakPolarHBondContact O-CG 3.35Å; K65-R109 PolarHBondContact O-NE 3.3Å; K65-R109 VanDerWaalsContact O-NE 3.14Å |
| 66 | L | 82.4 | Confident | 90.4 | Very high | 107 Ų | 107 | 58.6 Ų | 58.6 | 56% | 0.56 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -71.9 | -37.1 | -179.5 | -171.2 | 69.5 | 0 | 0 | 0 | 110.8 | A107 R109 | L66-A107 HydrophobicContact CB-CB 4.43Å; L66-A107 PolarHBondContact N-O 2.95Å; L66-R109 HydrophobicContact CB-CG 4.05Å; L66-R109 HydrophobicContact CD1-CG 4Å |
| 67 | Q | 86.5 | Confident | 90.5 | Very high | 75 Ų | 75 | 56.4 Ų | 56.4 | 35% | 0.35 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -106.6 | 141.3 | -175 | -61.3 | 175.6 | -74.7 | 0 | 0 | 111 | N61 S69 A106 | N61-Q67 PolarHBondContact OD1-O 2.94Å; Q67-S69 PolarHBondContact O-N 2.76Å; Q67-A106 HydrophobicContact CB-CB 4.47Å |
| 68 | R | 92.2 | Very high | 90.6 | Very high | 112 Ų | 112 | 55.9 Ų | 55.9 | 42% | 0.423 | 28% | 0.284 | S | S | . | . | trans | -69.6 | 117.4 | 171.3 | -57.1 | -172.9 | -177.8 | -158.9 | 6.2 | 108.5 | Q55 I58 N61 | Q55-R68 HydrophobicContact CB-CB 4.24Å; Q55-R68 WeakPolarHBondContact O-CD 3.46Å; I58-R68 HydrophobicContact CB-CB 4.22Å; I58-R68 HydrophobicContact CD1-CB 4.02Å; I58-R68 HydrophobicContact CG2-CB 4.48Å; I58-R68 PolarHBondContact O-NH1 3.43Å; N61-R68 HydrophobicContact CB-CG 4.07Å; N61-R68 WeakPolarHBondContact OD1-CA 3.46Å | ||
| 69 | S | 93 | Very high | 90.6 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -151.4 | 164.2 | -177.9 | 58.9 | 0 | 0 | 0 | 0 | 110.1 | F33 Q67 V100 G102 S103 A106 | F33-S69 VanDerWaalsContact CE1-CA 3.48Å; Q67-S69 PolarHBondContact O-N 2.76Å; S69-V100 WeakPolarHBondContact O-CG2 3.22Å; S69-G102 VanDerWaalsContact O-CA 3.28Å; S69-G102 WeakPolarHBondContact O-CA 3.45Å; S69-S103 PolarHBondContact OG-N 3.5Å; S69-A106 WeakPolarHBondContact OG-CB 3.41Å | ||
| 70 | L | 94.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -119.3 | 148.4 | 176 | -60.9 | 175.4 | 0 | 0 | 0 | 109.5 | V30 F33 I42 V53 I58 V76 V92 V100 S103 | V30-L70 HydrophobicContact CG1-CB 3.96Å; V30-L70 HydrophobicContact CG1-CD1 4.5Å; V30-L70 HydrophobicContact CG2-CB 3.99Å; V30-L70 HydrophobicContact CG2-CD1 4Å; V30-L70 HydrophobicContact CG2-CG 4.47Å; F33-L70 HydrophobicContact CB-CB 4.14Å; F33-L70 HydrophobicContact CD2-CB 4.09Å; F33-L70 HydrophobicContact CD2-CD1 4.14Å; F33-L70 HydrophobicContact CD2-CG 4.16Å; F33-L70 HydrophobicContact CE2-CG 4.46Å; F33-L70 HydrophobicContact CG-CB 4.11Å; I42-L70 HydrophobicContact CD1-CD1 4.29Å; V53-L70 HydrophobicContact CG1-CD1 4.06Å; V53-L70 HydrophobicContact CG2-CD1 4Å; I58-L70 HydrophobicContact CD1-CD1 4.43Å; I58-L70 HydrophobicContact CD1-CD2 4Å; I58-L70 HydrophobicContact CD1-CG 3.82Å; I58-L70 HydrophobicContact CG1-CD2 4.26Å; I58-L70 HydrophobicContact CG1-CG 4.39Å; L70-V76 HydrophobicContact CD2-CG1 4.37Å; L70-V92 HydrophobicContact CD1-CG1 4.34Å; L70-V92 HydrophobicContact CD2-CG1 4.19Å; L70-V100 HydrophobicContact CD2-CB 3.98Å; L70-V100 HydrophobicContact CD2-CG1 3.73Å; L70-V100 HydrophobicContact CD2-CG2 4.09Å; L70-S103 WeakPolarHBondContact O-CB 3.36Å | ||
| 71 | Q | 93.7 | Very high | 91.1 | Very high | 72 Ų | 72 | 48.8 Ų | 48.8 | 34% | 0.336 | 25% | 0.249 | S | C | . | . | trans | -84.8 | 139 | 171.5 | 179.3 | 177.4 | -17.6 | 0 | 0 | 109.7 | V30 G73 E74 | V30-Q71 VanDerWaalsContact CB-O 3.26Å; V30-Q71 WeakPolarHBondContact CB-O 3.45Å; V30-Q71 WeakPolarHBondContact CG1-O 3.14Å; Q71-G73 PolarHBondContact O-N 2.8Å; Q71-E74 HydrophobicContact CB-CB 4.03Å; Q71-E74 VanDerWaalsContact CB-OE2 3.32Å; Q71-E74 WeakPolarHBondContact CB-OE2 3.33Å; Q71-E74 PolarHBondContact N-OE2 3.22Å; Q71-E74 WeakPolarHBondContact O-CB 3.15Å; Q71-E74 PolarHBondContact O-N 2.85Å | ||
| 72 | E | 94.2 | Very high | 91.1 | Very high | 142 Ų | 142 | 52.6 Ų | 52.6 | 66% | 0.664 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 134.1 | 172.6 | -175 | 178.3 | 162.7 | 0 | 0 | 110.5 | K31 E74 | K31-E72 WeakPolarHBondContact O-CG 3.44Å; E72-E74 VanDerWaalsContact C-N 3.25Å; E72-E74 PolarHBondContact O-N 3.34Å |
| 73 | G | 94.1 | Very high | 91.1 | Very high | 54 Ų | 54 | 51.9 Ų | 51.9 | 56% | 0.557 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | 7.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | V30 Q71 | V30-G73 PolarHBondContact O-N 2.97Å; Q71-G73 PolarHBondContact O-N 2.8Å |
| 74 | E | 94.1 | Very high | 91.1 | Very high | 10 Ų | 10 | 54.5 Ų | 54.5 | 5% | 0.047 | 27% | 0.274 | C | S | . | . | trans | -75.3 | 135.6 | 175 | -170.8 | 177.1 | 178.5 | 0 | 0 | 111 | V29 V30 Q71 E72 V76 V100 K101 | V29-E74 WeakPolarHBondContact CA-O 3.24Å; V30-E74 HydrophobicContact CG2-CB 4.26Å; V30-E74 WeakPolarHBondContact CG2-O 3.14Å; V30-E74 PolarHBondContact N-O 3.11Å; Q71-E74 HydrophobicContact CB-CB 4.03Å; Q71-E74 VanDerWaalsContact CB-OE2 3.32Å; Q71-E74 WeakPolarHBondContact CB-OE2 3.33Å; Q71-E74 PolarHBondContact N-OE2 3.22Å; Q71-E74 WeakPolarHBondContact O-CB 3.15Å; Q71-E74 PolarHBondContact O-N 2.85Å; E72-E74 VanDerWaalsContact C-N 3.25Å; E72-E74 PolarHBondContact O-N 3.34Å; E74-V76 HydrophobicContact CG-CG1 4.2Å; E74-V100 WeakPolarHBondContact OE1-CA 3.5Å; E74-K101 HydrophobicContact CG-CD 4.45Å; E74-K101 PolarHBondContact OE1-N 3.06Å | ||
| 75 | E | 94.9 | Very high | 91.2 | Very high | 75 Ų | 75 | 57.7 Ų | 57.7 | 35% | 0.35 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 130.5 | 169.2 | -173.2 | 174.5 | 127 | 0 | 0 | 109.4 | G28 P95 | G28-E75 WeakPolarHBondContact O-CA 3.38Å; E75-P95 WeakPolarHBondContact O-CD 3.43Å |
| 76 | V | 95.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 151.9 | -176.6 | -66 | 0 | 0 | 0 | 0 | 111.3 | K27 G28 V30 I42 L70 E74 F78 V92 T93 | K27-V76 WeakPolarHBondContact CA-O 3.38Å; G28-V76 PolarHBondContact N-O 3.39Å; G28-V76 PolarHBondContact O-N 2.71Å; V30-V76 HydrophobicContact CG2-CG1 3.88Å; V30-V76 HydrophobicContact CG2-CG2 3.92Å; I42-V76 HydrophobicContact CD1-CG2 3.83Å; I42-V76 HydrophobicContact CG1-CG2 4.19Å; I42-V76 HydrophobicContact CG2-CG2 3.86Å; L70-V76 HydrophobicContact CD2-CG1 4.37Å; E74-V76 HydrophobicContact CG-CG1 4.2Å; V76-F78 HydrophobicContact CG2-CD1 4.22Å; V76-V92 HydrophobicContact CB-CG1 4.05Å; V76-V92 HydrophobicContact CG1-CG1 4.35Å; V76-V92 HydrophobicContact CG2-CG1 4.32Å; V76-T93 CarbonylContact C-O 3.49Å; V76-T93 WeakPolarHBondContact CA-O 3.26Å; V76-T93 WeakPolarHBondContact CB-O 3.15Å |
| 77 | E | 95.1 | Very high | 91.8 | Very high | 26 Ų | 26 | 56.3 Ų | 56.3 | 12% | 0.121 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 130.7 | 173.4 | -73.5 | 175.6 | -172.8 | 0 | 0 | 109.5 | V26 K27 T93 G96 | V26-E77 WeakPolarHBondContact O-CA 3.38Å; K27-E77 VanDerWaalsContact CE-OE1 3.28Å; K27-E77 WeakPolarHBondContact CE-OE1 3.46Å; K27-E77 HydrophobicContact CG-CG 3.94Å; K27-E77 IonicContact NZ-OE1 2.7Å; E77-T93 PolarHBondContact N-O 3.42Å; E77-T93 PolarHBondContact O-N 3.49Å; E77-T93 PolarHBondContact O-OG1 2.77Å; E77-G96 VanDerWaalsContact CD-N 3.32Å; E77-G96 PolarHBondContact OE1-N 2.88Å; E77-G96 VanDerWaalsContact OE1-N 3.07Å; E77-G96 PolarHBondContact OE2-N 2.94Å |
| 78 | F | 94.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 0% | 0.004 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 166 | -175.8 | 61.2 | -83.5 | 0 | 0 | 0 | 112 | R25 V26 I42 I51 V76 V80 A89 V92 | R25-F78 CarbonylContact C-O 3.57Å; R25-F78 WeakPolarHBondContact CA-O 3.41Å; R25-F78 PolarHBondContact N-O 3.49Å; V26-F78 HydrophobicContact CB-CE2 4.33Å; V26-F78 HydrophobicContact CB-CZ 4.29Å; V26-F78 HydrophobicContact CG1-CE1 4.42Å; V26-F78 HydrophobicContact CG1-CE2 4.39Å; V26-F78 HydrophobicContact CG1-CZ 3.99Å; V26-F78 PolarHBondContact N-O 2.99Å; V26-F78 WeakPolarHBondContact O-CD1 3.38Å; V26-F78 PolarHBondContact O-N 3.09Å; I42-F78 HydrophobicContact CB-CE1 4.38Å; I42-F78 HydrophobicContact CD1-CD1 4.19Å; I42-F78 HydrophobicContact CD1-CE1 4.43Å; I42-F78 HydrophobicContact CG2-CD1 4.27Å; I42-F78 HydrophobicContact CG2-CE1 3.56Å; I42-F78 HydrophobicContact CG2-CZ 4.04Å; I51-F78 HydrophobicContact CB-CE2 4.17Å; I51-F78 HydrophobicContact CB-CZ 4.43Å; I51-F78 HydrophobicContact CG1-CE2 3.99Å; I51-F78 HydrophobicContact CG1-CZ 4.11Å; I51-F78 HydrophobicContact CG2-CE2 3.94Å; V76-F78 HydrophobicContact CG2-CD1 4.22Å; F78-V80 HydrophobicContact CD2-CG2 4.28Å; F78-V80 HydrophobicContact CE2-CG2 3.79Å; F78-A89 HydrophobicContact CB-CB 4.15Å; F78-A89 HydrophobicContact CD2-CB 3.61Å; F78-A89 HydrophobicContact CE2-CB 4.27Å; F78-A89 HydrophobicContact CG-CB 4.02Å; F78-V92 HydrophobicContact CB-CB 4.38Å; F78-V92 HydrophobicContact CB-CG1 4.47Å; F78-V92 HydrophobicContact CB-CG2 3.89Å |
| 79 | Y | 93.6 | Very high | 92.3 | Very high | 45 Ų | 45 | 48.2 Ų | 48.2 | 18% | 0.176 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 136.8 | 172.4 | -62.4 | -107.3 | 0 | 0 | 0 | 108.6 | V21 E23 E24 R25 A89 S90 E91 | V21-Y79 HydrophobicContact CG1-CD1 4.09Å; E23-Y79 CarbonylContact O-C 3.55Å; E23-Y79 WeakPolarHBondContact O-CA 3.28Å; E24-Y79 HydrophobicContact CB-CD1 3.88Å; E24-Y79 HydrophobicContact CB-CE1 3.87Å; E24-Y79 HydrophobicContact CG-CD1 3.89Å; E24-Y79 HydrophobicContact CG-CE1 3.36Å; R25-Y79 HydrophobicContact CG-CE1 4.4Å; R25-Y79 HydrophobicContact CG-CE2 4.36Å; R25-Y79 PolarHBondContact NE-OH 3.14Å; Y79-A89 CarbonylContact O-C 3.5Å; Y79-A89 WeakPolarHBondContact O-CA 3.37Å; Y79-S90 PolarHBondContact N-O 3.07Å; Y79-S90 PolarHBondContact O-N 2.88Å; Y79-E91 HydrophobicContact CD2-CB 3.69Å; Y79-E91 HydrophobicContact CE2-CB 3.89Å |
| 80 | V | 93.5 | Very high | 92.3 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 121.5 | 173.9 | -176.3 | 0 | 0 | 0 | 0 | 107.7 | M22 E23 V26 F78 D87 | M22-V80 HydrophobicContact CB-CG1 4.42Å; M22-V80 PolarHBondContact N-O 2.97Å; E23-V80 HydrophobicContact CB-CB 4.05Å; E23-V80 HydrophobicContact CB-CG2 4.14Å; E23-V80 PolarHBondContact N-O 3.1Å; E23-V80 PolarHBondContact O-N 3.12Å; V26-V80 HydrophobicContact CB-CG2 4.29Å; V26-V80 HydrophobicContact CG2-CG2 3.87Å; F78-V80 HydrophobicContact CD2-CG2 4.28Å; F78-V80 HydrophobicContact CE2-CG2 3.79Å; V80-D87 HydrophobicContact CG1-CB 4.02Å |
| 81 | V | 92.3 | Very high | 92.2 | Very high | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.024 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 149.6 | 175.7 | -60.4 | 0 | 0 | 0 | 0 | 110.3 | R19 K20 V21 G83 E88 | R19-V81 HydrophobicContact CB-CB 4.04Å; R19-V81 HydrophobicContact CB-CG1 4.5Å; R19-V81 HydrophobicContact CB-CG2 4.37Å; K20-V81 WeakPolarHBondContact O-CA 3.49Å; V21-V81 HydrophobicContact CG2-CG1 4.03Å; V81-G83 PolarHBondContact O-N 3.24Å; V81-E88 HydrophobicContact CG2-CB 4.07Å; V81-E88 HydrophobicContact CG2-CG 4.42Å; V81-E88 VanDerWaalsContact CG2-O 3.26Å; V81-E88 WeakPolarHBondContact CG2-O 3.35Å; V81-E88 PolarHBondContact N-O 2.92Å; V81-E88 PolarHBondContact O-N 3.3Å |
| 82 | E | 90.2 | Very high | 92.3 | Very high | 110 Ų | 110 | 51.6 Ų | 51.6 | 51% | 0.514 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 116.9 | 172 | -162 | 174.2 | 171 | 0 | 0 | 109.9 | K20 M22 | K20-E82 PolarHBondContact O-N 3.16Å; M22-E82 HydrophobicContact CE-CB 3.63Å; M22-E82 HydrophobicContact CE-CG 3.67Å; M22-E82 HydrophobicContact SD-CB 4.29Å |
| 83 | G | 86.9 | Confident | 92.3 | Very high | 13 Ų | 13 | 45.8 Ų | 45.8 | 13% | 0.134 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 168.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V81 K85 G86 | V81-G83 PolarHBondContact O-N 3.24Å; G83-K85 PolarHBondContact O-N 2.94Å; G83-K85 VanDerWaalsContact O-N 3.11Å; G83-G86 CarbonylContact C-O 3.56Å; G83-G86 VanDerWaalsContact CA-O 3.24Å; G83-G86 WeakPolarHBondContact CA-O 3.31Å; G83-G86 PolarHBondContact N-O 2.86Å; G83-G86 PolarHBondContact O-N 2.8Å |
| 84 | D | 84.8 | Confident | 92.2 | Very high | 147 Ų | 147 | 43.2 Ų | 43.2 | 79% | 0.786 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -22.3 | -178.8 | -56.6 | -67.2 | 0 | 0 | 0 | 113.4 | R19 | R19-D84 IonicContact NH2-OD2 3.91Š|
| 85 | K | 84.8 | Confident | 92.1 | Very high | 195 Ų | 195 | 45.2 Ų | 45.2 | 85% | 0.848 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113 | 17.9 | -176.3 | -62.6 | -178.4 | -178.8 | 179 | 0 | 112.8 | G83 | G83-K85 PolarHBondContact O-N 2.94Å; G83-K85 VanDerWaalsContact O-N 3.11Å |
| 86 | G | 88.7 | Confident | 91.9 | Very high | 38 Ų | 38 | 45 Ų | 45 | 39% | 0.392 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 103.1 | -159.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112 | G83 E88 | G83-G86 CarbonylContact C-O 3.56Å; G83-G86 VanDerWaalsContact CA-O 3.24Å; G83-G86 WeakPolarHBondContact CA-O 3.31Å; G83-G86 PolarHBondContact N-O 2.86Å; G83-G86 PolarHBondContact O-N 2.8Å; G86-E88 PolarHBondContact O-N 3.01Å |
| 87 | D | 92.3 | Very high | 91.6 | Very high | 63 Ų | 63 | 45.6 Ų | 45.6 | 34% | 0.337 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 124.7 | -172.9 | -57.3 | -17.5 | 0 | 0 | 0 | 111.9 | I51 F52 V80 | I51-D87 HydrophobicContact CD1-CB 3.61Å; F52-D87 PolarHBondContact N-O 3.21Å; V80-D87 HydrophobicContact CG1-CB 4.02Å |
| 88 | E | 94.1 | Very high | 91.4 | Very high | 17 Ų | 17 | 50.4 Ų | 50.4 | 8% | 0.079 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 142.1 | 179.7 | -179.9 | 171 | 167.1 | 0 | 0 | 110.3 | R19 F52 V81 G86 | R19-E88 IonicContact CZ-OE1 3.83Å; R19-E88 IonicContact CZ-OE2 3.8Å; R19-E88 VanDerWaalsContact CZ-OE2 3.31Å; R19-E88 IonicContact NH1-OE1 2.85Å; R19-E88 PolarHBondContact NH1-OE1 3.5Å; R19-E88 IonicContact NH1-OE2 2.8Å; R19-E88 PolarHBondContact NH1-OE2 2.88Å; R19-E88 IonicContact NH2-OE2 2.68Å; R19-E88 PolarHBondContact NH2-OE2 3.07Å; F52-E88 HydrophobicContact CD1-CB 4.31Å; F52-E88 HydrophobicContact CD1-CG 3.82Å; F52-E88 HydrophobicContact CE1-CG 4.47Å; F52-E88 CarbonylContact O-C 3.47Å; F52-E88 WeakPolarHBondContact O-CA 3.49Å; V81-E88 HydrophobicContact CG2-CB 4.07Å; V81-E88 HydrophobicContact CG2-CG 4.42Å; V81-E88 VanDerWaalsContact CG2-O 3.26Å; V81-E88 WeakPolarHBondContact CG2-O 3.35Å; V81-E88 PolarHBondContact N-O 2.92Å; V81-E88 PolarHBondContact O-N 3.3Å; G86-E88 PolarHBondContact O-N 3.01Å |
| 89 | A | 93.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 131 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | I42 I51 F52 V53 A57 F78 Y79 V92 | I42-A89 HydrophobicContact CD1-CB 4.19Å; I51-A89 HydrophobicContact CG2-CB 3.89Å; F52-A89 PolarHBondContact O-N 3.47Å; V53-A89 HydrophobicContact CB-CB 4.14Å; V53-A89 HydrophobicContact CG2-CB 4.35Å; A57-A89 WeakPolarHBondContact CB-O 3.32Å; F78-A89 HydrophobicContact CB-CB 4.15Å; F78-A89 HydrophobicContact CD2-CB 3.61Å; F78-A89 HydrophobicContact CE2-CB 4.27Å; F78-A89 HydrophobicContact CG-CB 4.02Å; Y79-A89 CarbonylContact O-C 3.5Å; Y79-A89 WeakPolarHBondContact O-CA 3.37Å; A89-V92 HydrophobicContact CB-CG2 3.85Å |
| 90 | S | 93.4 | Very high | 91.3 | Very high | 41 Ų | 41 | 51.7 Ų | 51.7 | 29% | 0.287 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 152.9 | 171.4 | -170.1 | 0 | 0 | 0 | 0 | 110.5 | Y79 V92 | Y79-S90 PolarHBondContact N-O 3.07Å; Y79-S90 PolarHBondContact O-N 2.88Å; S90-V92 PolarHBondContact O-N 3.44Å |
| 91 | E | 92.8 | Very high | 91.2 | Very high | 102 Ų | 102 | 57.9 Ų | 57.9 | 48% | 0.477 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 45 | 55 | -179.7 | -63.6 | -158.5 | -130.4 | 0 | 0 | 115 | A57 S59 Y79 T93 | A57-E91 CarbonylContact O-C 3.54Å; A57-E91 VanDerWaalsContact O-CA 3.3Å; A57-E91 WeakPolarHBondContact O-CA 3.43Å; A57-E91 PolarHBondContact O-N 2.68Å; S59-E91 WeakPolarHBondContact OG-CA 3.44Å; Y79-E91 HydrophobicContact CD2-CB 3.69Å; Y79-E91 HydrophobicContact CE2-CB 3.89Å; E91-T93 PolarHBondContact O-N 3.43Å |
| 92 | V | 94.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 128.1 | -179.3 | -171.8 | 0 | 0 | 0 | 0 | 110.7 | I42 V53 A57 I58 S59 L70 V76 F78 A89 S90 | I42-V92 HydrophobicContact CD1-CG1 4.27Å; I42-V92 HydrophobicContact CD1-CG2 4.43Å; V53-V92 HydrophobicContact CG2-CG2 3.85Å; A57-V92 HydrophobicContact CB-CG2 4.28Å; A57-V92 PolarHBondContact O-N 2.85Å; I58-V92 HydrophobicContact CG1-CB 4.45Å; S59-V92 PolarHBondContact N-O 2.79Å; S59-V92 VanDerWaalsContact N-O 3.16Å; L70-V92 HydrophobicContact CD1-CG1 4.34Å; L70-V92 HydrophobicContact CD2-CG1 4.19Å; V76-V92 HydrophobicContact CB-CG1 4.05Å; V76-V92 HydrophobicContact CG1-CG1 4.35Å; V76-V92 HydrophobicContact CG2-CG1 4.32Å; F78-V92 HydrophobicContact CB-CB 4.38Å; F78-V92 HydrophobicContact CB-CG1 4.47Å; F78-V92 HydrophobicContact CB-CG2 3.89Å; A89-V92 HydrophobicContact CB-CG2 3.85Å; S90-V92 PolarHBondContact O-N 3.44Å |
| 93 | T | 94.7 | Very high | 91.1 | Very high | 19 Ų | 19 | 53 Ų | 53 | 12% | 0.117 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 165.6 | 178.3 | 59.9 | 0 | 0 | 0 | 0 | 111 | R60 V76 E77 E91 | R60-T93 HydrophobicContact CB-CG2 4.08Å; R60-T93 HydrophobicContact CG-CG2 3.83Å; V76-T93 CarbonylContact C-O 3.49Å; V76-T93 WeakPolarHBondContact CA-O 3.26Å; V76-T93 WeakPolarHBondContact CB-O 3.15Å; E77-T93 PolarHBondContact N-O 3.42Å; E77-T93 PolarHBondContact O-N 3.49Å; E77-T93 PolarHBondContact O-OG1 2.77Å; E91-T93 PolarHBondContact O-N 3.43Å |
| 94 | G | 93.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 33% | 0.328 | C | S | . | . | trans | -71.5 | 176.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112 | G96 G97 E98 | G94-G96 PolarHBondContact O-N 3.17Å; G94-G97 WeakPolarHBondContact O-CA 3.42Å; G94-G97 PolarHBondContact O-N 2.84Å; G94-E98 WeakPolarHBondContact CA-O 3.48Å; G94-E98 PolarHBondContact N-O 2.81Å | ||
| 95 | P | 91.7 | Very high | 91.3 | Very high | 53 Ų | 53 | 59.7 Ų | 59.7 | 34% | 0.344 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -58.7 | 134.4 | 179.8 | 26.6 | -34.4 | 0 | 0 | 0 | 110.6 | E75 G97 E98 | E75-P95 WeakPolarHBondContact O-CD 3.43Å; P95-G97 PolarHBondContact O-N 2.75Å; P95-E98 PolarHBondContact O-N 2.72Å |
| 96 | G | 89.6 | Confident | 91.4 | Very high | 70 Ų | 70 | 50.6 Ų | 50.6 | 72% | 0.722 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | 66.3 | 17.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | E77 G94 | E77-G96 VanDerWaalsContact CD-N 3.32Å; E77-G96 PolarHBondContact OE1-N 2.88Å; E77-G96 VanDerWaalsContact OE1-N 3.07Å; E77-G96 PolarHBondContact OE2-N 2.94Å; G94-G96 PolarHBondContact O-N 3.17Å |
| 97 | G | 89.2 | Confident | 91.3 | Very high | 13 Ų | 13 | 51 Ų | 51 | 13% | 0.134 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | 79.3 | 15.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | R60 G94 P95 | R60-G97 WeakPolarHBondContact CD-O 3.31Å; R60-G97 PolarHBondContact NE-O 2.93Å; R60-G97 PolarHBondContact NH1-O 3.07Å; G94-G97 WeakPolarHBondContact O-CA 3.42Å; G94-G97 PolarHBondContact O-N 2.84Å; P95-G97 PolarHBondContact O-N 2.75Å |
| 98 | E | 91.5 | Very high | 90.8 | Very high | 126 Ų | 126 | 53.6 Ų | 53.6 | 59% | 0.589 | 30% | 0.301 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 156.6 | 173.6 | -72.6 | -164.7 | 154.4 | 0 | 0 | 112.1 | G94 P95 | G94-E98 WeakPolarHBondContact CA-O 3.48Å; G94-E98 PolarHBondContact N-O 2.81Å; P95-E98 PolarHBondContact O-N 2.72Å |
| 99 | P | 92 | Very high | 89.9 | Confident | 73 Ų | 73 | 59 Ų | 59 | 47% | 0.474 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 138.4 | 168.2 | 27.4 | -33.8 | 0 | 0 | 0 | 110.1 | R60 | R60-P99 WeakPolarHBondContact O-CA 3.25Š|
| 100 | V | 93.6 | Very high | 88.6 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.006 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 147.5 | 176.7 | -58.1 | 0 | 0 | 0 | 0 | 110.2 | I58 R60 N62 S69 L70 E74 G102 | I58-V100 HydrophobicContact CG2-CG2 3.99Å; R60-V100 PolarHBondContact O-N 2.87Å; N62-V100 VanDerWaalsContact CB-O 3.26Å; N62-V100 WeakPolarHBondContact CB-O 3.22Å; S69-V100 WeakPolarHBondContact O-CG2 3.22Å; L70-V100 HydrophobicContact CD2-CB 3.98Å; L70-V100 HydrophobicContact CD2-CG1 3.73Å; L70-V100 HydrophobicContact CD2-CG2 4.09Å; E74-V100 WeakPolarHBondContact OE1-CA 3.5Å; V100-G102 VanDerWaalsContact C-N 3.29Å; V100-G102 PolarHBondContact O-N 2.86Å |
| 101 | K | 90.6 | Very high | 87 | Confident | 130 Ų | 130 | 72.3 Ų | 72.3 | 57% | 0.565 | 39% | 0.39 | S | S | * | . | trans | -63.4 | -40.5 | 176.9 | -65.4 | 175.4 | -177.7 | 172.7 | 0 | 110.8 | N62 E74 | N62-K101 PolarHBondContact ND2-O 2.79Å; E74-K101 HydrophobicContact CG-CD 4.45Å; E74-K101 PolarHBondContact OE1-N 3.06Å | ||
| 102 | G | 89.8 | Confident | 85 | Confident | 4 Ų | 4 | 71 Ų | 71 | 4% | 0.041 | 40% | 0.404 | C | S | . | . | trans | 78.3 | 160.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S69 V100 | S69-G102 VanDerWaalsContact O-CA 3.28Å; S69-G102 WeakPolarHBondContact O-CA 3.45Å; V100-G102 VanDerWaalsContact C-N 3.29Å; V100-G102 PolarHBondContact O-N 2.86Å | ||
| 103 | S | 90.6 | Very high | 83.1 | Confident | 8 Ų | 8 | 82.3 Ų | 82.3 | 6% | 0.056 | 45% | 0.446 | C | S | . | . | trans | -65.2 | 144.3 | -172.8 | -173.5 | 0 | 0 | 0 | 0 | 112.2 | V35 K65 S69 L70 Y105 A106 | V35-S103 WeakPolarHBondContact CG2-OG 3.18Å; K65-S103 PolarHBondContact NZ-O 2.94Å; S69-S103 PolarHBondContact OG-N 3.5Å; L70-S103 WeakPolarHBondContact O-CB 3.36Å; S103-Y105 PolarHBondContact O-N 3.11Å; S103-Y105 PolarHBondContact OG-N 2.93Å; S103-A106 PolarHBondContact O-N 3.21Å; S103-A106 VanDerWaalsContact O-N 3.11Å | ||
| 104 | V | 87.5 | Confident | 80.9 | Confident | 105 Ų | 105 | 86.8 Ų | 86.8 | 64% | 0.636 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -27.2 | 168.5 | -63.6 | 0 | 0 | 0 | 0 | 111.9 | ||
| 105 | Y | 88.6 | Confident | 78.6 | Confident | 195 Ų | 195 | 92.2 Ų | 92.2 | 77% | 0.765 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -11.5 | 179.6 | -57.6 | -69.2 | 0 | 0 | 0 | 114 | S103 | S103-Y105 PolarHBondContact O-N 3.11Å; S103-Y105 PolarHBondContact OG-N 2.93Å |
| 106 | A | 88 | Confident | 76.4 | Confident | 4 Ų | 4 | 99.5 Ų | 99.5 | 3% | 0.033 | 53% | 0.534 | C | S | . | . | S | Bend | trans | -77.5 | 135.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V35 K65 Q67 S69 S103 L108 | V35-A106 HydrophobicContact CG1-CB 4.04Å; K65-A106 HydrophobicContact CD-CB 3.99Å; K65-A106 WeakPolarHBondContact CD-O 3.38Å; K65-A106 PolarHBondContact NZ-O 3.22Å; Q67-A106 HydrophobicContact CB-CB 4.47Å; S69-A106 WeakPolarHBondContact OG-CB 3.41Å; S103-A106 PolarHBondContact O-N 3.21Å; S103-A106 VanDerWaalsContact O-N 3.11Å; A106-L108 PolarHBondContact O-N 2.94Å |
| 107 | A | 86.1 | Confident | 74.3 | Confident | 48 Ų | 48 | 103.2 Ų | 103.2 | 40% | 0.397 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 136.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | K65 L66 | K65-A107 WeakPolarHBondContact CA-O 3.49Å; L66-A107 HydrophobicContact CB-CB 4.43Å; L66-A107 PolarHBondContact N-O 2.95Å |
| 108 | L | 82.4 | Confident | 71.9 | Confident | 116 Ų | 116 | 110.3 Ų | 110.3 | 61% | 0.607 | 57% | 0.57 | S | S | * | * | B | Isolated β-bridge | trans | -73.2 | 140.5 | 173.8 | -64.7 | 167.8 | 0 | 0 | 0 | 110 | E64 K65 A106 G110 | E64-L108 CarbonylContact O-C 3.41Å; E64-L108 VanDerWaalsContact O-CA 3.22Å; E64-L108 WeakPolarHBondContact O-CA 3.43Å; K65-L108 HydrophobicContact CD-CD2 3.87Å; A106-L108 PolarHBondContact O-N 2.94Å; L108-G110 PolarHBondContact O-N 2.79Å; L108-G110 VanDerWaalsContact O-N 3.07Å |
| 109 | R | 75.1 | Confident | 69.7 | Low | 132 Ų | 132 | 111.6 Ų | 111.6 | 50% | 0.498 | 58% | 0.581 | S | S | . | * | trans | -65.8 | 107.6 | 166.9 | -71.2 | -164.5 | -179.4 | -155 | -9 | 107.4 | P63 E64 K65 L66 R111 | P63-R109 WeakPolarHBondContact O-CD 3.11Å; E64-R109 PolarHBondContact O-N 3.14Å; K65-R109 WeakPolarHBondContact O-CG 3.35Å; K65-R109 PolarHBondContact O-NE 3.3Å; K65-R109 VanDerWaalsContact O-NE 3.14Å; L66-R109 HydrophobicContact CB-CG 4.05Å; L66-R109 HydrophobicContact CD1-CG 4Å; R109-R111 VanDerWaalsContact C-N 3.28Å; R109-R111 PolarHBondContact O-N 3.01Å | ||
| 110 | G | 65.9 | Low | 67.3 | Low | 79 Ų | 79 | 116 Ų | 116 | 81% | 0.814 | 60% | 0.597 | S | S | * | * | trans | -60.5 | 87.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L108 G112 | L108-G110 PolarHBondContact O-N 2.79Å; L108-G110 VanDerWaalsContact O-N 3.07Å; G110-G112 PolarHBondContact O-N 3.28Å | ||
| 111 | R | 59.6 | Low | 64.9 | Low | 240 Ų | 240 | 126.2 Ų | 126.2 | 91% | 0.906 | 64% | 0.636 | S | S | * | * | trans | -68.6 | 72.5 | 164.4 | -88.9 | -104.6 | -123.9 | -172.9 | -1.8 | 108.8 | R109 R113 | R109-R111 VanDerWaalsContact C-N 3.28Å; R109-R111 PolarHBondContact O-N 3.01Å; R111-R113 VanDerWaalsContact C-N 3.27Å; R111-R113 PolarHBondContact O-N 3.16Å | ||
| 112 | G | 51.5 | Low | 62.4 | Low | 75 Ų | 75 | 124.1 Ų | 124.1 | 77% | 0.773 | 65% | 0.65 | S | S | * | * | S | Bend | trans | 46.2 | 29.6 | 150.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | G110 | G110-G112 PolarHBondContact O-N 3.28Š|
| 113 | R | 54 | Low | 60.2 | Low | 238 Ų | 238 | 135.1 Ų | 135.1 | 90% | 0.898 | 69% | 0.691 | S | S | * | * | trans | -146.3 | 84.5 | 173.6 | -85.8 | -175.8 | 173.1 | 171.9 | -2.3 | 108.1 | R111 | R111-R113 VanDerWaalsContact C-N 3.27Å; R111-R113 PolarHBondContact O-N 3.16Å | ||
| 114 | S | 48.3 | Very low | 57.9 | Low | 113 Ų | 113 | 137.6 Ų | 137.6 | 79% | 0.79 | 72% | 0.717 | S | S | * | * | S | Bend | -122.4 | 147 | 80 | -68.5 | 0 | 0 | 0 | 0 | 112.4 | R116 | S114-R116 PolarHBondContact O-N 3.25Š| |
| 115 | P | 46.3 | Very low | 55.8 | Low | 114 Ų | 114 | 144.6 Ų | 144.6 | 74% | 0.74 | 73% | 0.732 | S | S | * | * | trans | -59.4 | 139.6 | -162 | -17.1 | 29.8 | 0 | 0 | 0 | 109.9 | V117 | P115-V117 PolarHBondContact O-N 3.45Š| ||
| 116 | R | 44.1 | Very low | 53.4 | Low | 206 Ų | 206 | 138.7 Ų | 138.7 | 78% | 0.777 | 73% | 0.731 | S | S | * | * | trans | -41.4 | 115.2 | 153.9 | -63 | -174 | -165.1 | 150.6 | 2.7 | 107.6 | S114 F118 | S114-R116 PolarHBondContact O-N 3.25Å; R116-F118 HydrophobicContact CB-CB 3.88Å; R116-F118 HydrophobicContact CB-CD2 3.93Å; R116-F118 HydrophobicContact CB-CG 4.38Å; R116-F118 HydrophobicContact CG-CD2 4.32Å; R116-F118 PolarHBondContact O-N 3.49Å | ||
| 117 | V | 45.4 | Very low | 51.4 | Low | 147 Ų | 147 | 147.8 Ų | 147.8 | 89% | 0.891 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -72.6 | 56.4 | 149.9 | -157.6 | 0 | 0 | 0 | 0 | 106.5 | P115 | P115-V117 PolarHBondContact O-N 3.45Š|
| 118 | F | 40.1 | Very low | 49.3 | Very low | 163 Ų | 163 | 149 Ų | 149 | 72% | 0.715 | 79% | 0.793 | S | S | * | * | trans | -116 | 64.8 | 159.1 | -74.6 | -99.2 | 0 | 0 | 0 | 104.2 | R116 M120 | R116-F118 HydrophobicContact CB-CB 3.88Å; R116-F118 HydrophobicContact CB-CD2 3.93Å; R116-F118 HydrophobicContact CB-CG 4.38Å; R116-F118 HydrophobicContact CG-CD2 4.32Å; R116-F118 PolarHBondContact O-N 3.49Å; F118-M120 PolarHBondContact O-N 3.14Å | ||
| 119 | N | 44.3 | Very low | 47.5 | Very low | 152 Ų | 152 | 150 Ų | 150 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -62.5 | 93.1 | 139.5 | -86.3 | 15 | 0 | 0 | 0 | 103.7 | ||||
| 120 | M | 42.1 | Very low | 45.7 | Very low | 165 Ų | 165 | 147.6 Ų | 147.6 | 81% | 0.813 | 82% | 0.822 | S | S | * | * | S | Bend | 52.8 | 115.9 | 94.1 | -70.4 | -67.3 | -177.6 | 0 | 0 | 109.6 | F118 | F118-M120 PolarHBondContact O-N 3.14Š| |
| 121 | R | 42 | Very low | 44.5 | Very low | 217 Ų | 217 | 147.6 Ų | 147.6 | 82% | 0.819 | 82% | 0.822 | S | S | * | * | trans | 104.4 | 35.3 | 153.5 | -134.3 | 174.2 | -153.1 | 174.4 | 3.6 | 118 | R123 | R121-R123 PolarHBondContact O-N 2.99Š| ||
| 122 | G | 38.8 | Very low | 43.6 | Very low | 85 Ų | 85 | 145.2 Ų | 145.2 | 88% | 0.876 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -71.5 | 72.1 | 135.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 123 | R | 43.8 | Very low | 43.3 | Very low | 235 Ų | 235 | 147 Ų | 147 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | S | Bend | trans | 168.2 | 92.3 | 169.1 | -93.6 | -91.7 | -151.4 | -131.9 | 2.9 | 107.5 | R121 | R121-R123 PolarHBondContact O-N 2.99Š|
| 124 | G | 42.2 | Very low | 43.1 | Very low | 60 Ų | 60 | 140.8 Ų | 140.8 | 62% | 0.619 | 81% | 0.812 | S | S | * | * | trans | 158.1 | 87.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 125 | R | 44.4 | Very low | 42.8 | Very low | 252 Ų | 252 | 143.1 Ų | 143.1 | 95% | 0.951 | 82% | 0.816 | S | S | * | * | trans | 26.5 | 106.6 | 143.5 | -80.2 | 178.5 | 175.2 | 175.7 | -1.6 | 116.7 | ||||
| 126 | G | 37.1 | Very low | 42.7 | Very low | 71 Ų | 71 | 146.9 Ų | 146.9 | 73% | 0.732 | 82% | 0.823 | S | S | * | * | trans | 46.7 | 108.3 | 132.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 127 | M | 47 | Very low | 42.4 | Very low | 195 Ų | 195 | 144.1 Ų | 144.1 | 96% | 0.961 | 82% | 0.824 | S | S | * | * | trans | -159.5 | 103.6 | 138.4 | -139.6 | 77.9 | 163.2 | 0 | 0 | 109.4 | ||||
| 128 | G | 42 | Very low | 42 | Very low | 74 Ų | 74 | 145.9 Ų | 145.9 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | trans | 62.5 | 124.7 | 147.2 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 129 | P | 42.9 | Very low | 42.3 | Very low | 138 Ų | 138 | 143 Ų | 143 | 90% | 0.896 | 82% | 0.816 | S | S | * | * | trans | -85.2 | 143.7 | 166 | 35.3 | -28.6 | 0 | 0 | 0 | 110.9 | ||||
| 130 | G | 38 | Very low | 42.4 | Very low | 80 Ų | 80 | 140.1 Ų | 140.1 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | 128.7 | 92.1 | 158 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 131 | G | 40.1 | Very low | 42.4 | Very low | 79 Ų | 79 | 143 Ų | 143 | 81% | 0.814 | 81% | 0.808 | S | S | * | * | trans | 176 | 65.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 132 | F | 41.9 | Very low | 42.1 | Very low | 190 Ų | 190 | 143.3 Ų | 143.3 | 83% | 0.833 | 81% | 0.812 | S | S | * | * | trans | -71.1 | 136.5 | 176.3 | 43.8 | -91.2 | 0 | 0 | 0 | 111.1 | ||||
| 133 | S | 44.8 | Very low | 42.5 | Very low | 112 Ų | 112 | 141.6 Ų | 141.6 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | 52.4 | 130.5 | 139.7 | -79.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 134 | S | 49.8 | Very low | 42.8 | Very low | 108 Ų | 108 | 136.6 Ų | 136.6 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | cis | -168.6 | 141.1 | 30.3 | 40.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 135 | N | 42.7 | Very low | 42.4 | Very low | 163 Ų | 163 | 146 Ų | 146 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | trans | 64.3 | 88.1 | 172.3 | -77.5 | -18.2 | 0 | 0 | 0 | 116.6 | ||||
| 136 | Q | 44.1 | Very low | 42.2 | Very low | 192 Ų | 192 | 137.4 Ų | 137.4 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | trans | -70.2 | 122.9 | 175.9 | -67.9 | 161.1 | 16.4 | 0 | 0 | 110.8 | F138 | Q136-F138 PolarHBondContact O-N 2.83Š| ||
| 137 | D | 36.4 | Very low | 42.3 | Very low | 148 Ų | 148 | 146.6 Ų | 146.6 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | trans | -44 | 105.7 | 151.5 | -59.6 | -77.9 | 0 | 0 | 0 | 110.8 | V139 | D137-V139 HydrophobicContact CB-CG2 4.13Å; D137-V139 PolarHBondContact O-N 2.92Å | ||
| 138 | F | 36.6 | Very low | 41.9 | Very low | 184 Ų | 184 | 141 Ų | 141 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | trans | -77 | 104.2 | 150.1 | -179 | -99.5 | 0 | 0 | 0 | 106.3 | Q136 P140 | Q136-F138 PolarHBondContact O-N 2.83Å; F138-P140 HydrophobicContact CE1-CB 4.44Å; F138-P140 WeakPolarHBondContact O-CD 3.49Å | ||
| 139 | V | 47.3 | Very low | 41.7 | Very low | 104 Ų | 104 | 149.9 Ų | 149.9 | 63% | 0.63 | 81% | 0.814 | S | S | * | * | trans | -84.7 | 106.1 | 174.2 | -170.5 | 0 | 0 | 0 | 0 | 107.7 | D137 Y141 | D137-V139 HydrophobicContact CB-CG2 4.13Å; D137-V139 PolarHBondContact O-N 2.92Å; V139-Y141 PolarHBondContact O-N 3.42Å | ||
| 140 | P | 46.7 | Very low | 41.5 | Very low | 90 Ų | 90 | 146.7 Ų | 146.7 | 58% | 0.584 | 81% | 0.806 | S | S | * | * | trans | -67 | 134.7 | 163.3 | 29.9 | -31.9 | 0 | 0 | 0 | 107.8 | F138 Y142 | F138-P140 HydrophobicContact CE1-CB 4.44Å; F138-P140 WeakPolarHBondContact O-CD 3.49Å; P140-Y142 PolarHBondContact O-N 3.07Å; P140-Y142 VanDerWaalsContact O-N 3.14Å | ||
| 141 | Y | 41.5 | Very low | 41.6 | Very low | 225 Ų | 225 | 155.1 Ų | 155.1 | 88% | 0.882 | 81% | 0.813 | S | S | * | * | trans | -40.6 | 115.5 | 176.8 | -160 | -96.7 | 0 | 0 | 0 | 111.8 | V139 G143 | V139-Y141 PolarHBondContact O-N 3.42Å; Y141-G143 PolarHBondContact O-N 3.06Å | ||
| 142 | Y | 36.7 | Very low | 41.6 | Very low | 225 Ų | 225 | 155.2 Ų | 155.2 | 88% | 0.882 | 81% | 0.813 | S | S | * | * | trans | -66.2 | 93.7 | 169.1 | -103.5 | -95.8 | 0 | 0 | 0 | 108.6 | P140 | P140-Y142 PolarHBondContact O-N 3.07Å; P140-Y142 VanDerWaalsContact O-N 3.14Å | ||
| 143 | G | 46.2 | Very low | 41.4 | Very low | 49 Ų | 49 | 150.1 Ų | 150.1 | 51% | 0.505 | 82% | 0.815 | S | S | . | * | trans | -102.3 | 151.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y141 | Y141-G143 PolarHBondContact O-N 3.06Š| ||
| 144 | P | 50.9 | Low | 41.4 | Very low | 129 Ų | 129 | 150.7 Ų | 150.7 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | -83.6 | 147.6 | -127.5 | 29.6 | -35.3 | 0 | 0 | 0 | 115.7 | G146 | P144-G146 PolarHBondContact O-N 3.09Å; P144-G146 VanDerWaalsContact O-N 3.14Å | |||
| 145 | R | 34.5 | Very low | 41.1 | Very low | 259 Ų | 259 | 154.4 Ų | 154.4 | 98% | 0.977 | 82% | 0.824 | S | S | * | * | trans | -47.5 | 115.6 | 157.8 | -78.4 | -178.2 | -175 | 173.7 | 2.5 | 109.5 | ||||
| 146 | G | 39.4 | Very low | 41.3 | Very low | 71 Ų | 71 | 156.2 Ų | 156.2 | 73% | 0.732 | 83% | 0.83 | S | S | * | * | trans | -145.4 | 96.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | P144 | P144-G146 PolarHBondContact O-N 3.09Å; P144-G146 VanDerWaalsContact O-N 3.14Å | ||
| 147 | R | 39 | Very low | 41.3 | Very low | 263 Ų | 263 | 158.2 Ų | 158.2 | 99% | 0.992 | 83% | 0.831 | S | S | * | * | trans | -58.5 | 132.3 | 164.2 | -73.8 | -169.6 | -164 | -172.1 | 5.4 | 108.6 | ||||
| 148 | G | 38.3 | Very low | 41.7 | Very low | 78 Ų | 78 | 154.9 Ų | 154.9 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | trans | -171.8 | 99.2 | 170 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 149 | R | 37.9 | Very low | 42.1 | Very low | 260 Ų | 260 | 149.7 Ų | 149.7 | 98% | 0.981 | 83% | 0.829 | S | S | * | * | trans | -43.5 | 149.8 | 169.7 | -80.4 | 174.5 | 175.1 | -164.9 | 2.3 | 114 | ||||
| 150 | G | 38.1 | Very low | 41.9 | Very low | 71 Ų | 71 | 149.3 Ų | 149.3 | 73% | 0.732 | 84% | 0.837 | S | S | * | * | trans | 126.1 | 89.9 | 151.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 151 | R | 41.3 | Very low | 41.8 | Very low | 258 Ų | 258 | 155 Ų | 155 | 97% | 0.974 | 85% | 0.849 | S | S | * | * | 67 | 104.7 | 81.9 | -158.7 | -170.2 | -155.7 | -149.6 | 6.8 | 112.1 | |||||
| 152 | G | 39.7 | Very low | 41.7 | Very low | 80 Ų | 80 | 153.1 Ų | 153.1 | 83% | 0.825 | 85% | 0.848 | S | S | * | * | trans | 137.9 | 112.4 | 150.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 153 | G | 38.8 | Very low | 42 | Very low | 84 Ų | 84 | 151.5 Ų | 151.5 | 87% | 0.866 | 85% | 0.846 | S | S | * | * | trans | 99.3 | 80.4 | 145.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 154 | S | 44 | Very low | 42.1 | Very low | 124 Ų | 124 | 157 Ų | 157 | 87% | 0.867 | 86% | 0.86 | S | S | * | * | trans | -123 | 92.8 | 158.2 | 64.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 155 | E | 42.8 | Very low | 41.6 | Very low | 186 Ų | 186 | 157.9 Ų | 157.9 | 87% | 0.869 | 86% | 0.858 | S | S | * | * | trans | -120.7 | 97.4 | 160.7 | -73.2 | 169.5 | 141.8 | 0 | 0 | 105.4 | ||||
| 156 | M | 47.1 | Very low | 42.1 | Very low | 201 Ų | 201 | 157.6 Ų | 157.6 | 99% | 0.99 | 86% | 0.857 | S | S | * | * | trans | -145 | 129 | 150.5 | -77 | -147.7 | -176 | 0 | 0 | 109.9 | ||||
| 157 | Y | 45.1 | Very low | 42 | Very low | 234 Ų | 234 | 158.1 Ų | 158.1 | 92% | 0.918 | 86% | 0.862 | S | S | * | * | trans | -101.1 | 137.8 | -162.4 | -172.6 | -91.9 | 0 | 0 | 0 | 109.1 | ||||
| 158 | G | 44.3 | Very low | 42 | Very low | 77 Ų | 77 | 148.3 Ų | 148.3 | 79% | 0.794 | 84% | 0.843 | S | S | * | * | trans | 75.4 | 130.6 | 156.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 159 | G | 44.2 | Very low | 42.4 | Very low | 75 Ų | 75 | 156.9 Ų | 156.9 | 77% | 0.773 | 85% | 0.851 | S | S | * | * | cis | 171.8 | 102.8 | 6.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 160 | A | 43.2 | Very low | 42.4 | Very low | 96 Ų | 96 | 148 Ų | 148 | 79% | 0.793 | 84% | 0.841 | S | S | * | * | trans | -90.7 | 116.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | E162 | A160-E162 PolarHBondContact O-N 3.35Š| ||
| 161 | Y | 45.9 | Very low | 42.9 | Very low | 210 Ų | 210 | 156.1 Ų | 156.1 | 82% | 0.824 | 85% | 0.849 | S | S | * | * | trans | -67.2 | 114.9 | 176.4 | 41.9 | -85 | 0 | 0 | 0 | 109.6 | ||||
| 162 | E | 38.3 | Very low | 42.7 | Very low | 185 Ų | 185 | 147 Ų | 147 | 86% | 0.864 | 84% | 0.836 | S | S | * | * | trans | -71.7 | 125 | 172.4 | -68.2 | -173.9 | 130.2 | 0 | 0 | 110.6 | A160 | A160-E162 PolarHBondContact O-N 3.35Š| ||
| 163 | F | 44.3 | Very low | 42.8 | Very low | 191 Ų | 191 | 152.1 Ų | 152.1 | 84% | 0.838 | 84% | 0.836 | S | S | * | * | trans | -101.2 | 92.5 | 161.3 | -111.6 | -92.7 | 0 | 0 | 0 | 109.4 | ||||
| 164 | M | 47.7 | Very low | 43.1 | Very low | 164 Ų | 164 | 159.2 Ų | 159.2 | 81% | 0.808 | 84% | 0.837 | S | S | * | * | trans | 31.7 | 99.6 | 138.8 | -62.2 | 173.1 | -175.2 | 0 | 0 | 119 | ||||
| 165 | D | 40.2 | Very low | 42.7 | Very low | 149 Ų | 149 | 157 Ų | 157 | 80% | 0.797 | 83% | 0.834 | S | S | * | * | 39 | 97.4 | 115.1 | -137.1 | -58.1 | 0 | 0 | 0 | 118.3 | |||||
| 166 | R | 43.9 | Very low | 42.8 | Very low | 252 Ų | 252 | 159.9 Ų | 159.9 | 95% | 0.951 | 84% | 0.836 | S | S | * | * | trans | -149.7 | 81.2 | 145.7 | -167.2 | -172 | -89.3 | -173 | -4.7 | 109.2 | ||||
| 167 | G | 37.6 | Very low | 42.5 | Very low | 82 Ų | 82 | 153.7 Ų | 153.7 | 85% | 0.845 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -173.3 | 23.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 168 | G | 40 | Very low | 42.8 | Very low | 58 Ų | 58 | 154 Ų | 154 | 60% | 0.598 | 82% | 0.824 | S | S | * | * | trans | -170 | 108.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 169 | R | 45.8 | Very low | 43.1 | Very low | 257 Ų | 257 | 155.8 Ų | 155.8 | 97% | 0.97 | 82% | 0.822 | S | S | * | * | trans | 156.3 | 113.9 | 137.5 | -70.6 | -126.5 | -158.9 | -174.4 | 6.5 | 109.7 | ||||
| 170 | G | 38.4 | Very low | 42.8 | Very low | 74 Ų | 74 | 164.2 Ų | 164.2 | 76% | 0.763 | 83% | 0.83 | S | S | * | * | trans | 122.8 | 132.8 | 135.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 171 | R | 48.3 | Very low | 42.8 | Very low | 241 Ų | 241 | 163.2 Ų | 163.2 | 91% | 0.909 | 83% | 0.829 | S | S | * | * | trans | 87.3 | 100.3 | 153.3 | -54.9 | -168.5 | -169.9 | -159 | 2.9 | 117.2 | ||||
| 172 | G | 38.3 | Very low | 42.7 | Very low | 68 Ų | 68 | 165.6 Ų | 165.6 | 70% | 0.701 | 84% | 0.837 | S | S | * | * | trans | -76.4 | 164.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 173 | F | 41.6 | Very low | 42.8 | Very low | 187 Ų | 187 | 159.9 Ų | 159.9 | 82% | 0.82 | 83% | 0.828 | S | S | * | * | trans | -142 | 108.7 | 159.2 | -88.4 | -84.4 | 0 | 0 | 0 | 110 | ||||
| 174 | R | 45.1 | Very low | 42.9 | Very low | 232 Ų | 232 | 161.4 Ų | 161.4 | 88% | 0.875 | 83% | 0.834 | S | S | * | * | trans | 19.3 | 124.4 | 142.3 | -93 | 178.1 | -96.4 | -176.9 | -7 | 119 | ||||
| 175 | G | 34.3 | Very low | 42.6 | Very low | 78 Ų | 78 | 165.3 Ų | 165.3 | 80% | 0.804 | 84% | 0.84 | S | S | * | * | trans | -69.9 | 160.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 176 | R | 46.4 | Very low | 42.8 | Very low | 246 Ų | 246 | 162 Ų | 162 | 93% | 0.928 | 84% | 0.841 | S | S | * | * | trans | -153.1 | 116.4 | 145 | -85.9 | -168.4 | -169.6 | -171 | 4.2 | 104 | ||||
| 177 | G | 38.8 | Very low | 43.1 | Very low | 72 Ų | 72 | 156.2 Ų | 156.2 | 74% | 0.742 | 84% | 0.839 | S | S | * | * | 58.9 | 123.2 | 92.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 178 | R | 52.1 | Low | 43.4 | Very low | 239 Ų | 239 | 155.9 Ų | 155.9 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | cis | 170.7 | -176.9 | 37.4 | -113.7 | -175.4 | 171.4 | -147.9 | -0.3 | 106.1 | ||||
| 179 | P | 49.9 | Very low | 43.4 | Very low | 116 Ų | 116 | 156.3 Ų | 156.3 | 75% | 0.753 | 84% | 0.84 | S | S | * | * | -132.5 | -170.6 | -80.1 | 34.8 | -10 | 0 | 0 | 0 | 114 | |||||
| 180 | R | 39.5 | Very low | 43.5 | Very low | 252 Ų | 252 | 153.7 Ų | 153.7 | 95% | 0.951 | 84% | 0.836 | S | S | * | * | trans | -39.9 | 149 | 176.1 | -62.2 | 175.4 | 173.9 | 169 | -2.8 | 119.6 | ||||
| 181 | G | 42 | Very low | 43.8 | Very low | 75 Ų | 75 | 158.4 Ų | 158.4 | 77% | 0.773 | 84% | 0.838 | S | S | * | * | trans | -169.1 | 112.2 | 144.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 182 | R | 44.6 | Very low | 43.9 | Very low | 260 Ų | 260 | 151.4 Ų | 151.4 | 98% | 0.981 | 83% | 0.826 | S | S | * | * | 70.8 | 101.9 | 60.6 | -151.2 | -177.2 | -152.5 | -153.6 | 6.4 | 114.6 | |||||
| 183 | G | 39.8 | Very low | 44.2 | Very low | 65 Ų | 65 | 159.4 Ų | 159.4 | 67% | 0.67 | 84% | 0.835 | S | S | * | * | trans | 105.3 | 120.6 | 148.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 184 | F | 46 | Very low | 44.3 | Very low | 223 Ų | 223 | 154.1 Ų | 154.1 | 98% | 0.978 | 83% | 0.833 | S | S | * | * | -171.4 | 117.8 | 117.8 | -100.2 | -77 | 0 | 0 | 0 | 109.2 | |||||
| 185 | R | 43.2 | Very low | 44.6 | Very low | 246 Ų | 246 | 155.2 Ų | 155.2 | 93% | 0.928 | 84% | 0.837 | S | S | * | * | trans | -108.6 | 128.2 | 173.7 | -176.6 | -166.4 | -86.5 | -166.4 | -4.9 | 104.9 | ||||
| 186 | G | 43.5 | Very low | 45.1 | Very low | 80 Ų | 80 | 155.3 Ų | 155.3 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | trans | -162 | 116 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 187 | S | 50 | Low | 45.3 | Very low | 129 Ų | 129 | 147.3 Ų | 147.3 | 90% | 0.902 | 83% | 0.832 | S | S | * | * | trans | -106.5 | 150.2 | -172.9 | 30 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 188 | G | 43.2 | Very low | 46.1 | Very low | 75 Ų | 75 | 150 Ų | 150 | 77% | 0.773 | 84% | 0.836 | S | S | * | * | trans | 156.2 | 114.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 189 | G | 41.3 | Very low | 46 | Very low | 67 Ų | 67 | 150.6 Ų | 150.6 | 69% | 0.691 | 84% | 0.839 | S | S | * | * | 66.8 | 124.4 | 84.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 190 | F | 46.5 | Very low | 45.9 | Very low | 202 Ų | 202 | 149 Ų | 149 | 89% | 0.886 | 84% | 0.843 | S | S | * | * | cis | -174.5 | 160.9 | 49.3 | 40.2 | -94.1 | 0 | 0 | 0 | 109.4 | ||||
| 191 | E | 44.8 | Very low | 46.6 | Very low | 174 Ų | 174 | 140.4 Ų | 140.4 | 81% | 0.813 | 83% | 0.833 | S | S | * | * | trans | -65.3 | 167.6 | -176 | -68.5 | 145.9 | 83.8 | 0 | 0 | 116.3 | ||||
| 192 | S | 50.6 | Low | 47.3 | Very low | 93 Ų | 93 | 147.8 Ų | 147.8 | 65% | 0.65 | 84% | 0.837 | S | S | * | * | trans | 118.2 | 124.8 | 131 | -84.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 193 | R | 44.9 | Very low | 47.9 | Very low | 237 Ų | 237 | 140.2 Ų | 140.2 | 89% | 0.894 | 82% | 0.816 | S | S | * | * | trans | 79.5 | 104.4 | 142.9 | -66.2 | 177.1 | -152.9 | -172.8 | 6.9 | 119.4 | ||||
| 194 | G | 44.9 | Very low | 48.4 | Very low | 75 Ų | 75 | 145.2 Ų | 145.2 | 77% | 0.773 | 83% | 0.827 | S | S | * | * | 88.6 | 108.6 | 103.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 195 | R | 50.8 | Low | 48.9 | Very low | 256 Ų | 256 | 143.9 Ų | 143.9 | 97% | 0.966 | 82% | 0.817 | S | S | * | * | trans | 170.3 | 113 | 141.9 | -99.5 | -176.4 | -172.9 | -142.8 | 4.3 | 105.4 | ||||
| 196 | G | 45.6 | Very low | 49.7 | Very low | 79 Ų | 79 | 140.9 Ų | 140.9 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | 110.1 | 112.1 | 63.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 197 | G | 48.9 | Very low | 50.5 | Low | 78 Ų | 78 | 144.5 Ų | 144.5 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -73 | -152 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 198 | P | 56.5 | Low | 50.9 | Low | 128 Ų | 128 | 140.8 Ų | 140.8 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | cis | -141.6 | -178.6 | 7.7 | 40.6 | -19.3 | 0 | 0 | 0 | 117.3 | ||||
| 199 | R | 49.5 | Very low | 51.7 | Low | 253 Ų | 253 | 145.3 Ų | 145.3 | 96% | 0.955 | 80% | 0.802 | S | S | * | * | trans | -12.6 | 143.8 | 161.8 | -61.2 | 178.1 | 176.7 | 177.5 | -1.5 | 122.4 | ||||
| 200 | G | 48.5 | Very low | 52.5 | Low | 81 Ų | 81 | 145.3 Ų | 145.3 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | 167.8 | 128.2 | 149.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 201 | G | 54 | Low | 53.3 | Low | 72 Ų | 72 | 141.4 Ų | 141.4 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | cis | 126.7 | 138.9 | 28.6 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 202 | R | 55.5 | Low | 54.5 | Low | 231 Ų | 231 | 139.1 Ų | 139.1 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | trans | 88.4 | 141.9 | 170.8 | -59.6 | -170.7 | -175.8 | -178.1 | 3.4 | 118.4 | ||||
| 203 | D | 58.3 | Low | 55.4 | Low | 101 Ų | 101 | 142.3 Ų | 142.3 | 54% | 0.54 | 81% | 0.811 | S | S | . | * | cis | -165 | 135.8 | -15.1 | -86.2 | -36.1 | 0 | 0 | 0 | 104.8 | Y205 | D203-Y205 HydrophobicContact CB-CD2 4.39Å; D203-Y205 HydrophobicContact CB-CE2 3.95Å | ||
| 204 | N | 50.9 | Low | 56.5 | Low | 169 Ų | 169 | 139.3 Ų | 139.3 | 90% | 0.904 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 119.7 | 170.1 | -77.8 | -37 | 0 | 0 | 0 | 108.8 | ||
| 205 | Y | 56.6 | Low | 57.9 | Low | 195 Ų | 195 | 147.1 Ų | 147.1 | 77% | 0.765 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 117.5 | 169.5 | -78.9 | -88.6 | 0 | 0 | 0 | 110.9 | D203 | D203-Y205 HydrophobicContact CB-CD2 4.39Å; D203-Y205 HydrophobicContact CB-CE2 3.95Å |
| 206 | H | 58.4 | Low | 58.7 | Low | 183 Ų | 183 | 142.1 Ų | 142.1 | 85% | 0.847 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 130.6 | 159.2 | -98.7 | 62.5 | 0 | 0 | 0 | 109.8 | ||
| 207 | N | 61.3 | Low | 59.8 | Low | 157 Ų | 157 | 147 Ų | 147 | 84% | 0.84 | 84% | 0.839 | S | S | * | * | trans | -111.6 | 111.1 | 151.5 | -61.7 | -68.4 | 0 | 0 | 0 | 103.6 | ||||
| 208 | G | 57.7 | Low | 60.3 | Low | 51 Ų | 51 | 150.4 Ų | 150.4 | 53% | 0.526 | 84% | 0.841 | S | S | . | * | 80.6 | 90.3 | 79.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 209 | D | 61 | Low | 60.5 | Low | 169 Ų | 169 | 151.6 Ų | 151.6 | 90% | 0.904 | 84% | 0.842 | S | S | * | * | 65.8 | 133.6 | 102.3 | 86.6 | -87.8 | 0 | 0 | 0 | 112.4 | |||||
| 210 | G | 56.8 | Low | 61.1 | Low | 67 Ų | 67 | 145.9 Ų | 145.9 | 69% | 0.691 | 84% | 0.835 | S | S | * | * | cis | -160.6 | 155 | -8.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 211 | S | 63.9 | Low | 61.9 | Low | 120 Ų | 120 | 149.8 Ų | 149.8 | 84% | 0.839 | 84% | 0.835 | S | S | * | * | trans | -144.5 | 136 | 164.7 | -76 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 212 | P | 70.8 | Confident | 62.4 | Low | 126 Ų | 126 | 154.6 Ų | 154.6 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 129.4 | -169.5 | 32.1 | -31.9 | 0 | 0 | 0 | 111.1 | ||
| 213 | D | 69.6 | Low | 62.8 | Low | 161 Ų | 161 | 149.5 Ų | 149.5 | 86% | 0.861 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -82 | 127.6 | 165.6 | -94.5 | -43.5 | 0 | 0 | 0 | 109.9 | ||
| 214 | M | 67.9 | Low | 63.2 | Low | 173 Ų | 173 | 153 Ų | 153 | 85% | 0.852 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 136.6 | 167.1 | -63.2 | 178.1 | -169.2 | 0 | 0 | 110 | ||
| 215 | R | 73.7 | Confident | 64.1 | Low | 240 Ų | 240 | 151.8 Ų | 151.8 | 91% | 0.906 | 86% | 0.857 | S | S | * | * | trans | -129.3 | 109.5 | 154.1 | -75.2 | -172.4 | 177.3 | 173 | -0.4 | 108.9 | ||||
| 216 | D | 68.1 | Low | 64.7 | Low | 151 Ų | 151 | 148.2 Ų | 148.2 | 81% | 0.807 | 87% | 0.865 | S | S | * | * | trans | -42.3 | 159.7 | 149.4 | -75.6 | -93.7 | 0 | 0 | 0 | 113.5 | ||||
| 217 | A | 67.7 | Low | 65.3 | Low | 180 Ų | 180 | 145 Ų | 145 | 100% | 1.488 | 87% | 0.866 | S | S | * | * | trans | 95.2 | 0 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.5 |
Retrieved 217 of 217 residues in 72.5 ms
(Link to these results)