| 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 | 38.9 | Very low | 41.9 | Very low | 241 Ų | 241 | 140.7 Ų | 140.7 | 100% | 1.187 | 77% | 0.772 | S | S | * | * | 0 | 93.9 | 0 | -155.7 | 162.1 | -166.9 | 0 | 0 | 105.1 | A3 | M1-A3 PolarHBondContact O-N 2.72Š| |||
| 2 | E | 38.9 | Very low | 41.8 | Very low | 180 Ų | 180 | 143.9 Ų | 143.9 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | trans | -77.5 | 107 | -174.3 | -66.9 | -180 | 117.7 | 0 | 0 | 108.1 | F4 | E2-F4 PolarHBondContact O-N 3.28Š| ||
| 3 | A | 40.8 | Very low | 42 | Very low | 80 Ų | 80 | 140.5 Ų | 140.5 | 66% | 0.661 | 77% | 0.771 | S | S | * | * | trans | -79.1 | 102.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | M1 N5 | M1-A3 PolarHBondContact O-N 2.72Å; A3-N5 PolarHBondContact O-N 3.28Å | ||
| 4 | F | 41 | Very low | 41.8 | Very low | 182 Ų | 182 | 135.9 Ų | 135.9 | 80% | 0.798 | 77% | 0.772 | S | S | * | * | trans | -63.7 | 78.8 | 164.7 | -80.6 | -98.9 | 0 | 0 | 0 | 108.8 | E2 D6 | E2-F4 PolarHBondContact O-N 3.28Å; F4-D6 PolarHBondContact O-N 2.83Å; F4-D6 VanDerWaalsContact O-N 3.11Å | ||
| 5 | N | 43.8 | Very low | 41.4 | Very low | 144 Ų | 144 | 138.7 Ų | 138.7 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | -82.5 | 63.8 | 162.1 | -72.4 | -19.8 | 0 | 0 | 0 | 107.5 | A3 E7 | A3-N5 PolarHBondContact O-N 3.28Å; N5-E7 PolarHBondContact O-N 3.11Å | ||
| 6 | D | 42.2 | Very low | 41.3 | Very low | 131 Ų | 131 | 139.8 Ų | 139.8 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | trans | -76.3 | 74.3 | 158.3 | -135.3 | -74.9 | 0 | 0 | 0 | 105.2 | F4 S8 | F4-D6 PolarHBondContact O-N 2.83Å; F4-D6 VanDerWaalsContact O-N 3.11Å; D6-S8 PolarHBondContact O-N 2.76Å | ||
| 7 | E | 40.3 | Very low | 41.3 | Very low | 170 Ų | 170 | 137.9 Ų | 137.9 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | trans | -66.7 | 79.9 | 169.3 | -166.5 | 173.5 | 102.9 | 0 | 0 | 105.4 | N5 T9 | N5-E7 PolarHBondContact O-N 3.11Å; E7-T9 PolarHBondContact O-N 2.97Å | ||
| 8 | S | 43.5 | Very low | 41.3 | Very low | 93 Ų | 93 | 137.9 Ų | 137.9 | 65% | 0.65 | 76% | 0.756 | S | S | * | * | trans | -60.6 | 91.9 | 169.6 | -63.7 | 0 | 0 | 0 | 0 | 105.9 | D6 P10 | D6-S8 PolarHBondContact O-N 2.76Å; S8-P10 VanDerWaalsContact O-CD 3.26Å; S8-P10 WeakPolarHBondContact O-CD 3.36Å | ||
| 9 | T | 40.8 | Very low | 41.6 | Very low | 101 Ų | 101 | 136.2 Ų | 136.2 | 62% | 0.62 | 75% | 0.753 | S | S | * | * | trans | -48.6 | 111.7 | 176.6 | -38.1 | 0 | 0 | 0 | 0 | 106.6 | E7 | E7-T9 PolarHBondContact O-N 2.97Š| ||
| 10 | P | 47.1 | Very low | 42 | Very low | 97 Ų | 97 | 131.4 Ų | 131.4 | 63% | 0.63 | 74% | 0.736 | S | S | * | * | trans | -57.9 | 136.6 | 177.7 | 22.8 | -31.1 | 0 | 0 | 0 | 106.7 | S8 Q12 | S8-P10 VanDerWaalsContact O-CD 3.26Å; S8-P10 WeakPolarHBondContact O-CD 3.36Å; P10-Q12 PolarHBondContact O-N 3.23Å | ||
| 11 | P | 43.3 | Very low | 42.2 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | trans | -52.1 | 104.7 | -176.8 | 17.3 | -29.3 | 0 | 0 | 0 | 109.4 | S13 | P11-S13 VanDerWaalsContact C-N 3.25Å; P11-S13 PolarHBondContact O-N 2.78Å | ||
| 12 | Q | 41.2 | Very low | 42.6 | Very low | 179 Ų | 179 | 128 Ų | 128 | 84% | 0.836 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -77.6 | 80.2 | 178.5 | -103.2 | -172.7 | -9.6 | 0 | 0 | 107.6 | P10 | P10-Q12 PolarHBondContact O-N 3.23Š|
| 13 | S | 43.5 | Very low | 43.2 | Very low | 99 Ų | 99 | 126.1 Ų | 126.1 | 69% | 0.692 | 72% | 0.715 | S | S | * | * | trans | 162.8 | 78.9 | 151.2 | 60 | 0 | 0 | 0 | 0 | 106.8 | P11 E15 | P11-S13 VanDerWaalsContact C-N 3.25Å; P11-S13 PolarHBondContact O-N 2.78Å; S13-E15 VanDerWaalsContact C-N 3.25Å; S13-E15 PolarHBondContact O-N 2.93Å | ||
| 14 | G | 40.4 | Very low | 43.8 | Very low | 76 Ų | 76 | 126.6 Ų | 126.6 | 78% | 0.784 | 70% | 0.703 | S | S | * | * | trans | -63 | 101.6 | 154.2 | 0 | 0 | 0 | 0 | 0 | 105.6 | L16 | G14-L16 PolarHBondContact O-N 3.17Å; G14-L16 VanDerWaalsContact O-N 3.15Å | ||
| 15 | E | 35.5 | Very low | 44.6 | Very low | 178 Ų | 178 | 126.5 Ų | 126.5 | 83% | 0.832 | 71% | 0.711 | S | S | * | * | trans | -53.7 | 124.7 | 170.5 | -73.2 | -173 | 107.2 | 0 | 0 | 107.1 | S13 Y17 | S13-E15 VanDerWaalsContact C-N 3.25Å; S13-E15 PolarHBondContact O-N 2.93Å; E15-Y17 PolarHBondContact O-N 3.17Å | ||
| 16 | L | 39 | Very low | 45.6 | Very low | 156 Ų | 156 | 121.4 Ų | 121.4 | 82% | 0.817 | 69% | 0.689 | S | S | * | * | trans | -60.2 | 104.3 | 171.3 | -91.8 | 143.1 | 0 | 0 | 0 | 106.6 | G14 N18 | G14-L16 PolarHBondContact O-N 3.17Å; G14-L16 VanDerWaalsContact O-N 3.15Å; L16-N18 PolarHBondContact O-N 3.15Å | ||
| 17 | Y | 41.7 | Very low | 46.6 | Very low | 108 Ų | 108 | 122.4 Ų | 122.4 | 42% | 0.424 | 69% | 0.686 | S | S | . | * | trans | -60.7 | 110.3 | 168.5 | 176.8 | -120.4 | 0 | 0 | 0 | 107.3 | E15 P19 L73 | E15-Y17 PolarHBondContact O-N 3.17Å; Y17-P19 HydrophobicContact CD1-CB 4.35Å; Y17-P19 HydrophobicContact CE1-CB 3.94Å; Y17-P19 WeakPolarHBondContact O-CD 3.26Å; Y17-L73 HydrophobicContact CD2-CD2 3.09Å; Y17-L73 HydrophobicContact CE2-CD2 3.03Å; Y17-L73 HydrophobicContact CG-CD2 4.21Å | ||
| 18 | N | 41.7 | Very low | 47.9 | Very low | 138 Ų | 138 | 117.5 Ų | 117.5 | 74% | 0.738 | 67% | 0.668 | S | S | * | * | trans | -79.7 | 105 | 167.6 | -66.3 | -59.4 | 0 | 0 | 0 | 105.7 | L16 G20 | L16-N18 PolarHBondContact O-N 3.15Å; N18-G20 PolarHBondContact O-N 2.76Å | ||
| 19 | P | 46.8 | Very low | 49.3 | Very low | 106 Ų | 106 | 117.1 Ų | 117.1 | 69% | 0.688 | 66% | 0.658 | S | S | * | * | trans | -59.9 | 111.4 | -179.8 | 25.2 | -32.6 | 0 | 0 | 0 | 108.3 | Y17 | Y17-P19 HydrophobicContact CD1-CB 4.35Å; Y17-P19 HydrophobicContact CE1-CB 3.94Å; Y17-P19 WeakPolarHBondContact O-CD 3.26Å | ||
| 20 | G | 48.7 | Very low | 50.7 | Low | 40 Ų | 40 | 118.4 Ų | 118.4 | 41% | 0.412 | 65% | 0.652 | S | S | . | * | trans | -58.5 | 157.7 | 155.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | N18 D22 | N18-G20 PolarHBondContact O-N 2.76Å; G20-D22 PolarHBondContact O-N 3.38Å | ||
| 21 | E | 47.6 | Very low | 51.9 | Low | 197 Ų | 197 | 117.6 Ų | 117.6 | 92% | 0.921 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -67.2 | 34.8 | 171.5 | -70.4 | -179.2 | 88.5 | 0 | 0 | 112.4 | T23 | E21-T23 VanDerWaalsContact C-N 3.35Å; E21-T23 PolarHBondContact O-N 2.8Å |
| 22 | D | 47.9 | Very low | 53.3 | Low | 103 Ų | 103 | 116.7 Ų | 116.7 | 55% | 0.551 | 63% | 0.625 | S | S | * | * | trans | -76.4 | 93 | 174.1 | -69.6 | -42.1 | 0 | 0 | 0 | 107.9 | G20 | G20-D22 PolarHBondContact O-N 3.38Š| ||
| 23 | T | 50.3 | Low | 54.7 | Low | 141 Ų | 141 | 115.3 Ų | 115.3 | 87% | 0.865 | 61% | 0.612 | S | S | * | * | trans | -83.7 | 126.7 | 167.4 | 55.6 | 0 | 0 | 0 | 0 | 108.2 | E21 | E21-T23 VanDerWaalsContact C-N 3.35Å; E21-T23 PolarHBondContact O-N 2.8Å | ||
| 24 | F | 54.3 | Low | 56.1 | Low | 90 Ų | 90 | 116 Ų | 116 | 40% | 0.395 | 60% | 0.6 | S | S | . | * | trans | -125.2 | 138.3 | 174 | 55.5 | -86.1 | 0 | 0 | 0 | 109 | A26 L46 F72 | F24-A26 HydrophobicContact CD2-CB 3.81Å; F24-A26 HydrophobicContact CE2-CB 3.7Å; F24-A26 PolarHBondContact O-N 3.45Å; F24-A26 VanDerWaalsContact O-N 3.13Å; F24-L46 HydrophobicContact CD2-CD2 4.27Å; F24-L46 HydrophobicContact CE2-CD2 3.47Å; F24-L46 VanDerWaalsContact CE2-CD2 3.47Å; F24-L46 HydrophobicContact CZ-CD2 4.25Å; F24-F72 HydrophobicContact CD1-CZ 4.08Å; F24-F72 HydrophobicContact CE1-CE1 4.33Å; F24-F72 HydrophobicContact CE1-CE2 4.36Å; F24-F72 AromaticContact CE1-CZ 3.5Å; F24-F72 HydrophobicContact CE1-CZ 3.5Å; F24-F72 VanDerWaalsContact CE1-CZ 3.5Å; F24-F72 HydrophobicContact CE2-CZ 4.45Å; F24-F72 HydrophobicContact CZ-CE2 4.36Å; F24-F72 AromaticContact CZ-CZ 3.71Å; F24-F72 HydrophobicContact CZ-CZ 3.71Å | ||
| 25 | D | 56.4 | Low | 57.6 | Low | 181 Ų | 181 | 119 Ų | 119 | 97% | 0.968 | 60% | 0.597 | S | S | * | * | trans | -70.5 | 109.8 | 175.2 | -78.6 | -41.9 | 0 | 0 | 0 | 109.2 | ||||
| 26 | A | 65.1 | Low | 59.6 | Low | 37 Ų | 37 | 117.4 Ų | 117.4 | 31% | 0.306 | 59% | 0.593 | S | S | . | * | trans | -120 | 135.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | F24 V28 V44 L46 | F24-A26 HydrophobicContact CD2-CB 3.81Å; F24-A26 HydrophobicContact CE2-CB 3.7Å; F24-A26 PolarHBondContact O-N 3.45Å; F24-A26 VanDerWaalsContact O-N 3.13Å; A26-V28 PolarHBondContact O-N 3Å; A26-V44 HydrophobicContact CB-CG1 3.29Å; A26-L46 HydrophobicContact CB-CD2 4.05Å | ||
| 27 | K | 62.8 | Low | 61.4 | Low | 151 Ų | 151 | 112 Ų | 112 | 66% | 0.657 | 57% | 0.565 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.4 | 110.4 | 179.7 | -172.1 | 175.2 | -178.4 | 176.7 | 0 | 109.6 | L29 N45 | K27-L29 PolarHBondContact O-N 2.78Å; K27-L29 VanDerWaalsContact O-N 3.16Å; K27-N45 PolarHBondContact N-O 3.13Å; K27-N45 PolarHBondContact O-N 3.46Å |
| 28 | V | 67.9 | Low | 62.9 | Low | 67 Ų | 67 | 111.3 Ų | 111.3 | 41% | 0.406 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -64.4 | 115.7 | 166.9 | -175.2 | 0 | 0 | 0 | 0 | 108.4 | A26 V31 F42 V44 | A26-V28 PolarHBondContact O-N 3Å; V28-V31 HydrophobicContact CG1-CG2 3.54Å; V28-F42 HydrophobicContact CG1-CD1 4.21Å; V28-V44 HydrophobicContact CG2-CG2 4.25Å |
| 29 | L | 72.9 | Confident | 64.1 | Low | 86 Ų | 86 | 105.1 Ų | 105.1 | 45% | 0.45 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | -40 | 176.6 | -63.2 | -178.5 | 0 | 0 | 0 | 111.1 | K27 E43 N45 I51 | K27-L29 PolarHBondContact O-N 2.78Å; K27-L29 VanDerWaalsContact O-N 3.16Å; L29-E43 PolarHBondContact N-O 3.1Å; L29-N45 HydrophobicContact CD1-CB 3.8Å; L29-N45 HydrophobicContact CD2-CB 3.8Å; L29-N45 HydrophobicContact CG-CB 3.68Å; L29-I51 HydrophobicContact CD1-CG1 4.5Å |
| 30 | R | 70.8 | Confident | 65 | Low | 128 Ų | 128 | 103.2 Ų | 103.2 | 48% | 0.483 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 141.1 | -175.8 | -168.9 | 171.2 | 179.1 | 169.2 | -0.4 | 110.8 | R32 E43 | R30-R32 VanDerWaalsContact CD-NE 3.34Å; R30-R32 HydrophobicContact CG-CG 3.99Å; R30-R32 VanDerWaalsContact CZ-NE 3.3Å; R30-E43 HydrophobicContact CB-CB 4.11Å; R30-E43 PolarHBondContact N-O 3.48Å; R30-E43 PolarHBondContact O-N 2.83Å |
| 31 | V | 71.9 | Confident | 66 | Low | 80 Ų | 80 | 101.5 Ų | 101.5 | 49% | 0.485 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 132.3 | 168.7 | -172.8 | 0 | 0 | 0 | 0 | 107.7 | V28 I40 V41 F42 | V28-V31 HydrophobicContact CG1-CG2 3.54Å; V31-I40 HydrophobicContact CG1-CG2 3.44Å; V31-I40 VanDerWaalsContact CG1-CG2 3.44Å; V31-V41 CarbonylContact C-O 3.54Å; V31-V41 WeakPolarHBondContact CA-O 3.34Å; V31-F42 HydrophobicContact CG1-CD1 4.17Å; V31-F42 HydrophobicContact CG1-CE1 4Å; V31-F42 HydrophobicContact CG1-CZ 4.48Å; V31-F42 HydrophobicContact CG2-CD1 3.73Å; V31-F42 HydrophobicContact CG2-CE1 3.99Å |
| 32 | R | 72.5 | Confident | 67 | Low | 109 Ų | 109 | 94.9 Ų | 94.9 | 41% | 0.411 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 128.8 | 174.6 | -52 | -171.4 | -156.7 | -157.5 | 2.8 | 109.2 | R30 V41 E43 | R30-R32 VanDerWaalsContact CD-NE 3.34Å; R30-R32 HydrophobicContact CG-CG 3.99Å; R30-R32 VanDerWaalsContact CZ-NE 3.3Å; R32-V41 HydrophobicContact CB-CB 4.44Å; R32-V41 PolarHBondContact N-O 2.84Å; R32-V41 WeakPolarHBondContact O-CA 3.44Å; R32-V41 WeakPolarHBondContact O-CB 3.29Å; R32-V41 PolarHBondContact O-N 3.15Å; R32-E43 IonicContact CZ-OE1 2.76Å; R32-E43 VanDerWaalsContact CZ-OE1 3.23Å; R32-E43 IonicContact NE-OE1 3.7Å; R32-E43 PolarHBondContact NE-OE1 2.83Å; R32-E43 IonicContact NH2-OE1 3.87Å; R32-E43 PolarHBondContact NH2-OE1 3.43Å; R32-E43 IonicContact NH2-OE2 2.72Å |
| 33 | W | 70.6 | Confident | 68 | Low | 151 Ų | 151 | 92.1 Ų | 92.1 | 57% | 0.572 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 133.8 | 166.5 | -176.4 | 50.1 | 0 | 0 | 0 | 109.4 | L35 D38 T39 | W33-L35 HydrophobicContact CD2-CG 4.5Å; W33-L35 HydrophobicContact CE3-CD2 4.09Å; W33-L35 HydrophobicContact CE3-CG 3.99Å; W33-L35 HydrophobicContact CH2-CD2 3.35Å; W33-L35 HydrophobicContact CH2-CG 4.12Å; W33-L35 HydrophobicContact CZ2-CD2 4.04Å; W33-L35 HydrophobicContact CZ3-CD2 3.38Å; W33-L35 HydrophobicContact CZ3-CG 3.8Å; W33-D38 WeakPolarHBondContact CZ2-OD1 3.1Å; W33-D38 PolarHBondContact NE1-OD1 2.98Å; W33-T39 VanDerWaalsContact CD1-O 3.25Å |
| 34 | R | 72.6 | Confident | 68.9 | Low | 114 Ų | 114 | 86 Ų | 86 | 43% | 0.43 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 101.5 | 177.7 | -172.3 | 176.9 | -175.4 | -153.6 | 7.8 | 108.6 | L36 D37 D38 T39 | R34-L36 HydrophobicContact CG-CB 4.26Å; R34-L36 PolarHBondContact O-N 3.44Å; R34-L36 VanDerWaalsContact O-N 3.16Å; R34-D37 WeakPolarHBondContact CB-OD1 3.16Å; R34-D37 WeakPolarHBondContact CD-OD1 3.22Å; R34-D37 WeakPolarHBondContact CD-OD2 3.06Å; R34-D37 WeakPolarHBondContact CG-OD1 3.48Å; R34-D37 IonicContact CZ-OD2 2.76Å; R34-D37 IonicContact NE-OD2 3.01Å; R34-D37 IonicContact NH1-OD2 3.23Å; R34-D37 PolarHBondContact NH1-OD2 3.29Å; R34-D37 PolarHBondContact O-N 2.87Å; R34-D37 VanDerWaalsContact O-OD1 3.12Å; R34-D38 WeakPolarHBondContact O-CA 3.27Å; R34-D38 PolarHBondContact O-N 2.96Å; R34-T39 PolarHBondContact N-O 2.83Å; R34-T39 PolarHBondContact O-N 2.9Å |
| 35 | L | 72.4 | Confident | 69.6 | Low | 138 Ų | 138 | 84.6 Ų | 84.6 | 72% | 0.723 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -33.1 | 179 | -81.7 | 152 | 0 | 0 | 0 | 113.6 | W33 D37 | W33-L35 HydrophobicContact CD2-CG 4.5Å; W33-L35 HydrophobicContact CE3-CD2 4.09Å; W33-L35 HydrophobicContact CE3-CG 3.99Å; W33-L35 HydrophobicContact CH2-CD2 3.35Å; W33-L35 HydrophobicContact CH2-CG 4.12Å; W33-L35 HydrophobicContact CZ2-CD2 4.04Å; W33-L35 HydrophobicContact CZ3-CD2 3.38Å; W33-L35 HydrophobicContact CZ3-CG 3.8Å; L35-D37 VanDerWaalsContact C-N 3.27Å; L35-D37 PolarHBondContact O-N 3.01Å |
| 36 | L | 78.2 | Confident | 70 | Confident | 144 Ų | 144 | 78.3 Ų | 78.3 | 75% | 0.754 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -36.6 | -174.9 | -175.8 | 67.4 | 0 | 0 | 0 | 113 | R34 | R34-L36 HydrophobicContact CG-CB 4.26Å; R34-L36 PolarHBondContact O-N 3.44Å; R34-L36 VanDerWaalsContact O-N 3.16Å |
| 37 | D | 77.4 | Confident | 70 | Confident | 43 Ų | 43 | 78 Ų | 78 | 23% | 0.23 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.6 | 9.7 | -174.9 | 51.2 | 18.1 | 0 | 0 | 0 | 112.3 | R34 L35 T39 R57 | R34-D37 WeakPolarHBondContact CB-OD1 3.16Å; R34-D37 WeakPolarHBondContact CD-OD1 3.22Å; R34-D37 WeakPolarHBondContact CD-OD2 3.06Å; R34-D37 WeakPolarHBondContact CG-OD1 3.48Å; R34-D37 IonicContact CZ-OD2 2.76Å; R34-D37 IonicContact NE-OD2 3.01Å; R34-D37 IonicContact NH1-OD2 3.23Å; R34-D37 PolarHBondContact NH1-OD2 3.29Å; R34-D37 PolarHBondContact O-N 2.87Å; R34-D37 VanDerWaalsContact O-OD1 3.12Å; L35-D37 VanDerWaalsContact C-N 3.27Å; L35-D37 PolarHBondContact O-N 3.01Å; D37-T39 HydrophobicContact CB-CG2 3.99Å; D37-T39 VanDerWaalsContact CG-OG1 3.31Å; D37-T39 WeakPolarHBondContact O-CG2 3.13Å; D37-T39 PolarHBondContact O-N 2.91Å; D37-T39 WeakPolarHBondContact OD1-CB 3.4Å; D37-T39 WeakPolarHBondContact OD1-CG2 3.42Å; D37-T39 PolarHBondContact OD1-N 3.15Å; D37-T39 PolarHBondContact OD1-OG1 2.95Å; D37-R57 PolarHBondContact O-NE 2.95Å; D37-R57 PolarHBondContact O-NH2 3.01Å |
| 38 | D | 71.7 | Confident | 69.9 | Low | 93 Ų | 93 | 79.8 Ų | 79.8 | 50% | 0.497 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.5 | 50 | -174.8 | -166.2 | 29.2 | 0 | 0 | 0 | 112.1 | W33 R34 | W33-D38 WeakPolarHBondContact CZ2-OD1 3.1Å; W33-D38 PolarHBondContact NE1-OD1 2.98Å; R34-D38 WeakPolarHBondContact O-CA 3.27Å; R34-D38 PolarHBondContact O-N 2.96Å |
| 39 | T | 67 | Low | 69.3 | Low | 9 Ų | 9 | 84.4 Ų | 84.4 | 6% | 0.055 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 144 | 179.5 | 64 | 0 | 0 | 0 | 0 | 111.1 | W33 R34 D37 V55 R57 | W33-T39 VanDerWaalsContact CD1-O 3.25Å; R34-T39 PolarHBondContact N-O 2.83Å; R34-T39 PolarHBondContact O-N 2.9Å; D37-T39 HydrophobicContact CB-CG2 3.99Å; D37-T39 VanDerWaalsContact CG-OG1 3.31Å; D37-T39 WeakPolarHBondContact O-CG2 3.13Å; D37-T39 PolarHBondContact O-N 2.91Å; D37-T39 WeakPolarHBondContact OD1-CB 3.4Å; D37-T39 WeakPolarHBondContact OD1-CG2 3.42Å; D37-T39 PolarHBondContact OD1-N 3.15Å; D37-T39 PolarHBondContact OD1-OG1 2.95Å; T39-V55 VanDerWaalsContact CB-CG1 3.48Å; T39-V55 HydrophobicContact CG2-CG1 3.57Å; T39-R57 HydrophobicContact CG2-CG 4.12Å |
| 40 | I | 66.7 | Low | 68.5 | Low | 66 Ų | 66 | 83.5 Ų | 83.5 | 34% | 0.338 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 122.3 | 168.7 | -50.4 | 174.4 | 0 | 0 | 0 | 108.1 | V31 F42 V55 T56 | V31-I40 HydrophobicContact CG1-CG2 3.44Å; V31-I40 VanDerWaalsContact CG1-CG2 3.44Å; I40-F42 HydrophobicContact CB-CE2 3.84Å; I40-F42 HydrophobicContact CB-CZ 4.2Å; I40-F42 HydrophobicContact CG2-CD2 4.15Å; I40-F42 HydrophobicContact CG2-CE1 4.17Å; I40-F42 HydrophobicContact CG2-CE2 3.47Å; I40-F42 VanDerWaalsContact CG2-CE2 3.47Å; I40-F42 HydrophobicContact CG2-CZ 3.48Å; I40-F42 VanDerWaalsContact CG2-CZ 3.48Å; I40-V55 CarbonylContact O-C 3.41Å; I40-V55 WeakPolarHBondContact O-CA 3.46Å; I40-T56 WeakPolarHBondContact CB-OG1 3.14Å; I40-T56 PolarHBondContact N-O 2.83Å; I40-T56 PolarHBondContact O-N 3.02Å; I40-T56 PolarHBondContact O-OG1 2.94Å |
| 41 | V | 69.3 | Low | 67.9 | Low | 4 Ų | 4 | 82.7 Ų | 82.7 | 2% | 0.024 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 119 | 179.7 | -177.1 | 0 | 0 | 0 | 0 | 109.2 | V31 R32 R53 C54 V55 | V31-V41 CarbonylContact C-O 3.54Å; V31-V41 WeakPolarHBondContact CA-O 3.34Å; R32-V41 HydrophobicContact CB-CB 4.44Å; R32-V41 PolarHBondContact N-O 2.84Å; R32-V41 WeakPolarHBondContact O-CA 3.44Å; R32-V41 WeakPolarHBondContact O-CB 3.29Å; R32-V41 PolarHBondContact O-N 3.15Å; V41-R53 HydrophobicContact CG1-CG 3.46Å; V41-R53 VanDerWaalsContact CG1-CG 3.46Å; V41-C54 CarbonylContact C-O 3.56Å; V41-C54 WeakPolarHBondContact CA-O 3.35Å; V41-V55 HydrophobicContact CG2-CG2 4.37Å |
| 42 | F | 69 | Low | 67.5 | Low | 58 Ų | 58 | 79.7 Ų | 79.7 | 25% | 0.254 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 121.3 | 173.8 | -55.9 | -99.1 | 0 | 0 | 0 | 109 | V28 V31 I40 V44 R53 C54 T56 | V28-F42 HydrophobicContact CG1-CD1 4.21Å; V31-F42 HydrophobicContact CG1-CD1 4.17Å; V31-F42 HydrophobicContact CG1-CE1 4Å; V31-F42 HydrophobicContact CG1-CZ 4.48Å; V31-F42 HydrophobicContact CG2-CD1 3.73Å; V31-F42 HydrophobicContact CG2-CE1 3.99Å; I40-F42 HydrophobicContact CB-CE2 3.84Å; I40-F42 HydrophobicContact CB-CZ 4.2Å; I40-F42 HydrophobicContact CG2-CD2 4.15Å; I40-F42 HydrophobicContact CG2-CE1 4.17Å; I40-F42 HydrophobicContact CG2-CE2 3.47Å; I40-F42 VanDerWaalsContact CG2-CE2 3.47Å; I40-F42 HydrophobicContact CG2-CZ 3.48Å; I40-F42 VanDerWaalsContact CG2-CZ 3.48Å; F42-V44 HydrophobicContact CB-CG2 3.91Å; F42-R53 CarbonylContact O-C 3.57Å; F42-R53 VanDerWaalsContact O-CA 3.26Å; F42-R53 WeakPolarHBondContact O-CA 3.34Å; F42-C54 HydrophobicContact CB-CB 4.12Å; F42-C54 HydrophobicContact CD2-CB 4.13Å; F42-C54 PolarHBondContact N-O 3.31Å; F42-C54 PolarHBondContact O-N 3.16Å; F42-T56 HydrophobicContact CD2-CG2 4.21Å; F42-T56 HydrophobicContact CE2-CG2 3.66Å |
| 43 | E | 69.2 | Low | 66.8 | Low | 44 Ų | 44 | 81.1 Ų | 81.1 | 21% | 0.206 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 110.3 | 164.2 | -69 | 170.7 | -148.5 | 0 | 0 | 107.2 | L29 R30 R32 I51 L52 | L29-E43 PolarHBondContact N-O 3.1Å; R30-E43 HydrophobicContact CB-CB 4.11Å; R30-E43 PolarHBondContact N-O 3.48Å; R30-E43 PolarHBondContact O-N 2.83Å; R32-E43 IonicContact CZ-OE1 2.76Å; R32-E43 VanDerWaalsContact CZ-OE1 3.23Å; R32-E43 IonicContact NE-OE1 3.7Å; R32-E43 PolarHBondContact NE-OE1 2.83Å; R32-E43 IonicContact NH2-OE1 3.87Å; R32-E43 PolarHBondContact NH2-OE1 3.43Å; R32-E43 IonicContact NH2-OE2 2.72Å; E43-I51 HydrophobicContact CB-CG2 4.05Å; E43-I51 HydrophobicContact CG-CG2 4.38Å; E43-L52 CarbonylContact C-O 3.53Å; E43-L52 VanDerWaalsContact CA-O 3.29Å; E43-L52 WeakPolarHBondContact CA-O 3.4Å |
| 44 | V | 68.8 | Low | 66.4 | Low | 13 Ų | 13 | 74.6 Ų | 74.6 | 8% | 0.079 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 127.9 | -174.6 | -173.5 | 0 | 0 | 0 | 0 | 109.4 | A26 V28 F42 L46 I51 L52 | A26-V44 HydrophobicContact CB-CG1 3.29Å; V28-V44 HydrophobicContact CG2-CG2 4.25Å; F42-V44 HydrophobicContact CB-CG2 3.91Å; V44-L46 HydrophobicContact CG1-CD2 4.11Å; V44-I51 CarbonylContact O-C 3.55Å; V44-I51 WeakPolarHBondContact O-CA 3.19Å; V44-L52 HydrophobicContact CB-CB 4.2Å; V44-L52 PolarHBondContact N-O 3.25Å; V44-L52 PolarHBondContact O-N 2.76Å |
| 45 | N | 67.9 | Low | 65.8 | Low | 60 Ų | 60 | 71.4 Ų | 71.4 | 32% | 0.321 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 120 | 172 | -171 | -3.7 | 0 | 0 | 0 | 109.6 | K27 L29 G47 Y50 | K27-N45 PolarHBondContact N-O 3.13Å; K27-N45 PolarHBondContact O-N 3.46Å; L29-N45 HydrophobicContact CD1-CB 3.8Å; L29-N45 HydrophobicContact CD2-CB 3.8Å; L29-N45 HydrophobicContact CG-CB 3.68Å; N45-G47 WeakPolarHBondContact OD1-CA 3.48Å; N45-G47 PolarHBondContact OD1-N 2.75Å; N45-Y50 WeakPolarHBondContact CA-O 3.44Å; N45-Y50 PolarHBondContact OD1-O 3.01Å |
| 46 | L | 66.4 | Low | 65 | Low | 49 Ų | 49 | 67 Ų | 67 | 26% | 0.257 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 5.3 | 175.1 | -54.4 | 179.4 | 0 | 0 | 0 | 112.6 | F24 A26 V44 Y50 L52 | F24-L46 HydrophobicContact CD2-CD2 4.27Å; F24-L46 HydrophobicContact CE2-CD2 3.47Å; F24-L46 VanDerWaalsContact CE2-CD2 3.47Å; F24-L46 HydrophobicContact CZ-CD2 4.25Å; A26-L46 HydrophobicContact CB-CD2 4.05Å; V44-L46 HydrophobicContact CG1-CD2 4.11Å; L46-Y50 PolarHBondContact N-O 2.8Å; L46-Y50 VanDerWaalsContact N-O 3.1Å; L46-L52 HydrophobicContact CD1-CB 4.04Å; L46-L52 HydrophobicContact CG-CB 4.26Å |
| 47 | G | 63.6 | Low | 63.9 | Low | 31 Ų | 31 | 68.6 Ų | 68.6 | 32% | 0.32 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 91 | 170.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N45 N49 Y50 | N45-G47 WeakPolarHBondContact OD1-CA 3.48Å; N45-G47 PolarHBondContact OD1-N 2.75Å; G47-N49 PolarHBondContact O-N 2.97Å; G47-Y50 WeakPolarHBondContact O-CD2 3.42Å; G47-Y50 PolarHBondContact O-N 2.76Å |
| 48 | K | 60.7 | Low | 62.6 | Low | 189 Ų | 189 | 71.2 Ų | 71.2 | 82% | 0.822 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 36.7 | 43.2 | 174.8 | -65.1 | -175.1 | -179.3 | 174.5 | 0 | 116.3 | Y50 | K48-Y50 HydrophobicContact CB-CD2 4.46Å; K48-Y50 HydrophobicContact CB-CE2 4.14Å; K48-Y50 WeakPolarHBondContact O-CE2 3.26Å |
| 49 | N | 56.1 | Low | 61.5 | Low | 164 Ų | 164 | 75 Ų | 75 | 88% | 0.877 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82 | 18.5 | 175.7 | -44.3 | -61.5 | 0 | 0 | 0 | 116.8 | G47 | G47-N49 PolarHBondContact O-N 2.97Š|
| 50 | Y | 55.2 | Low | 60.7 | Low | 67 Ų | 67 | 78.1 Ų | 78.1 | 26% | 0.263 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 127.7 | 178.2 | -57 | -67.9 | 0 | 0 | 0 | 112.1 | N45 L46 G47 K48 Y68 | N45-Y50 WeakPolarHBondContact CA-O 3.44Å; N45-Y50 PolarHBondContact OD1-O 3.01Å; L46-Y50 PolarHBondContact N-O 2.8Å; L46-Y50 VanDerWaalsContact N-O 3.1Å; G47-Y50 WeakPolarHBondContact O-CD2 3.42Å; G47-Y50 PolarHBondContact O-N 2.76Å; K48-Y50 HydrophobicContact CB-CD2 4.46Å; K48-Y50 HydrophobicContact CB-CE2 4.14Å; K48-Y50 WeakPolarHBondContact O-CE2 3.26Å; Y50-Y68 WeakPolarHBondContact OH-CE2 3.38Å |
| 51 | I | 58.3 | Low | 59.9 | Low | 110 Ų | 110 | 79.8 Ų | 79.8 | 56% | 0.564 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 114.1 | 173.4 | -58.1 | 173.4 | 0 | 0 | 0 | 108.1 | L29 E43 V44 | L29-I51 HydrophobicContact CD1-CG1 4.5Å; E43-I51 HydrophobicContact CB-CG2 4.05Å; E43-I51 HydrophobicContact CG-CG2 4.38Å; V44-I51 CarbonylContact O-C 3.55Å; V44-I51 WeakPolarHBondContact O-CA 3.19Å |
| 52 | L | 63.4 | Low | 59 | Low | 18 Ų | 18 | 82.5 Ų | 82.5 | 9% | 0.094 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 139 | 172.8 | 173.2 | 66.4 | 0 | 0 | 0 | 109.9 | E43 V44 L46 C54 V62 | E43-L52 CarbonylContact C-O 3.53Å; E43-L52 VanDerWaalsContact CA-O 3.29Å; E43-L52 WeakPolarHBondContact CA-O 3.4Å; V44-L52 HydrophobicContact CB-CB 4.2Å; V44-L52 PolarHBondContact N-O 3.25Å; V44-L52 PolarHBondContact O-N 2.76Å; L46-L52 HydrophobicContact CD1-CB 4.04Å; L46-L52 HydrophobicContact CG-CB 4.26Å; L52-C54 WeakPolarHBondContact CD2-SG 3.39Å; L52-V62 HydrophobicContact CD1-CB 3.85Å; L52-V62 HydrophobicContact CD1-CG1 3.87Å; L52-V62 HydrophobicContact CD1-CG2 3.62Å; L52-V62 HydrophobicContact CD2-CG2 4.27Å |
| 53 | R | 59.6 | Low | 58 | Low | 139 Ų | 139 | 90.3 Ų | 90.3 | 53% | 0.525 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 93 | 175.9 | -170.6 | -179.6 | 176.2 | 176.3 | -0.1 | 110.9 | V41 F42 | V41-R53 HydrophobicContact CG1-CG 3.46Å; V41-R53 VanDerWaalsContact CG1-CG 3.46Å; F42-R53 CarbonylContact O-C 3.57Å; F42-R53 VanDerWaalsContact O-CA 3.26Å; F42-R53 WeakPolarHBondContact O-CA 3.34Å |
| 54 | C | 60.8 | Low | 57.2 | Low | 13 Ų | 13 | 90 Ų | 90 | 9% | 0.088 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 133.2 | 176.3 | -56.8 | 0 | 0 | 0 | 0 | 110.3 | V41 F42 L52 C60 | V41-C54 CarbonylContact C-O 3.56Å; V41-C54 WeakPolarHBondContact CA-O 3.35Å; F42-C54 HydrophobicContact CB-CB 4.12Å; F42-C54 HydrophobicContact CD2-CB 4.13Å; F42-C54 PolarHBondContact N-O 3.31Å; F42-C54 PolarHBondContact O-N 3.16Å; L52-C54 WeakPolarHBondContact CD2-SG 3.39Å; C54-C60 HydrophobicContact CB-CB 4.07Å |
| 55 | V | 60.4 | Low | 56.1 | Low | 48 Ų | 48 | 92.4 Ų | 92.4 | 29% | 0.291 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 90 | -179.5 | -176.4 | 0 | 0 | 0 | 0 | 109.3 | T39 I40 V41 R57 F59 | T39-V55 VanDerWaalsContact CB-CG1 3.48Å; T39-V55 HydrophobicContact CG2-CG1 3.57Å; I40-V55 CarbonylContact O-C 3.41Å; I40-V55 WeakPolarHBondContact O-CA 3.46Å; V41-V55 HydrophobicContact CG2-CG2 4.37Å; V55-R57 PolarHBondContact O-N 2.88Å; V55-R57 VanDerWaalsContact O-N 3.12Å; V55-F59 CarbonylContact C-O 3.5Å |
| 56 | T | 55.9 | Low | 55.6 | Low | 46 Ų | 46 | 97 Ų | 97 | 28% | 0.282 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 108.1 | -177.4 | 65.1 | 0 | 0 | 0 | 0 | 110.4 | I40 F42 | I40-T56 WeakPolarHBondContact CB-OG1 3.14Å; I40-T56 PolarHBondContact N-O 2.83Å; I40-T56 PolarHBondContact O-N 3.02Å; I40-T56 PolarHBondContact O-OG1 2.94Å; F42-T56 HydrophobicContact CD2-CG2 4.21Å; F42-T56 HydrophobicContact CE2-CG2 3.66Å |
| 57 | R | 54.9 | Low | 54.9 | Low | 177 Ų | 177 | 100.8 Ų | 100.8 | 67% | 0.668 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -37 | 130.9 | -96.3 | -178.5 | -179.5 | -162.5 | -0.7 | 110.9 | D37 T39 V55 | D37-R57 PolarHBondContact O-NE 2.95Å; D37-R57 PolarHBondContact O-NH2 3.01Å; T39-R57 HydrophobicContact CG2-CG 4.12Å; V55-R57 PolarHBondContact O-N 2.88Å; V55-R57 VanDerWaalsContact O-N 3.12Å |
| 58 | S | 50.3 | Low | 54.2 | Low | 97 Ų | 97 | 103.1 Ų | 103.1 | 68% | 0.678 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -163.2 | 6 | 167.5 | -58.7 | 0 | 0 | 0 | 0 | 113.3 | ||
| 59 | F | 49 | Very low | 53.8 | Low | 172 Ų | 172 | 97.4 Ų | 97.4 | 75% | 0.754 | 47% | 0.474 | S | S | * | . | trans | -143.6 | 148 | -170 | -60.9 | -80 | 0 | 0 | 0 | 111.5 | V55 | V55-F59 CarbonylContact C-O 3.5Š| ||
| 60 | C | 49.9 | Very low | 53.5 | Low | 76 Ų | 76 | 94.1 Ų | 94.1 | 51% | 0.514 | 45% | 0.453 | S | S | . | . | trans | -106.7 | 124.6 | 173.2 | -62.9 | 0 | 0 | 0 | 0 | 108.7 | C54 | C54-C60 HydrophobicContact CB-CB 4.07Š| ||
| 61 | D | 49.4 | Very low | 53.1 | Low | 101 Ų | 101 | 96.6 Ų | 96.6 | 54% | 0.54 | 47% | 0.467 | S | S | . | . | trans | -92.8 | 112.9 | 173.1 | -160.8 | -51.2 | 0 | 0 | 0 | 108.3 | ||||
| 62 | V | 49.9 | Very low | 52.4 | Low | 61 Ų | 61 | 93.7 Ų | 93.7 | 37% | 0.37 | 45% | 0.451 | S | S | . | . | trans | -100.5 | 105.5 | -178 | 175.9 | 0 | 0 | 0 | 0 | 108.5 | L52 L64 | L52-V62 HydrophobicContact CD1-CB 3.85Å; L52-V62 HydrophobicContact CD1-CG1 3.87Å; L52-V62 HydrophobicContact CD1-CG2 3.62Å; L52-V62 HydrophobicContact CD2-CG2 4.27Å; V62-L64 HydrophobicContact CG1-CD1 3.55Å; V62-L64 HydrophobicContact CG1-CG 3.6Å | ||
| 63 | R | 49.5 | Very low | 51.7 | Low | 222 Ų | 222 | 96.7 Ų | 96.7 | 84% | 0.838 | 47% | 0.466 | S | S | * | . | trans | -94.7 | 96.9 | 170.9 | -66.3 | -169.5 | -179.9 | -166.3 | -2 | 110 | ||||
| 64 | L | 50.9 | Low | 51.2 | Low | 38 Ų | 38 | 97.6 Ų | 97.6 | 20% | 0.199 | 47% | 0.474 | C | S | . | . | trans | -111.3 | 147 | 170.4 | -68.9 | 168.4 | 0 | 0 | 0 | 109.4 | V62 L69 F72 | V62-L64 HydrophobicContact CG1-CD1 3.55Å; V62-L64 HydrophobicContact CG1-CG 3.6Å; L64-L69 HydrophobicContact CB-CD1 4.41Å; L64-L69 HydrophobicContact CD1-CD1 4.2Å; L64-F72 HydrophobicContact CD1-CB 4.26Å; L64-F72 HydrophobicContact CD1-CD2 4.44Å; L64-F72 HydrophobicContact CD1-CG 4.18Å | ||
| 65 | P | 47 | Very low | 50.2 | Low | 63 Ų | 63 | 98.9 Ų | 98.9 | 41% | 0.409 | 49% | 0.49 | S | S | . | . | trans | -56.6 | 139.4 | 164.1 | -16.6 | 28.7 | 0 | 0 | 0 | 109.8 | E67 Y68 L69 | P65-E67 VanDerWaalsContact C-N 3.26Å; P65-E67 HydrophobicContact CB-CG 4.33Å; P65-E67 PolarHBondContact O-N 2.75Å; P65-Y68 HydrophobicContact CB-CD2 4.17Å; P65-Y68 HydrophobicContact CG-CD2 4.23Å; P65-Y68 PolarHBondContact O-N 2.82Å; P65-L69 PolarHBondContact O-N 3.3Å | ||
| 66 | Q | 56.2 | Low | 49.1 | Very low | 156 Ų | 156 | 98.8 Ų | 98.8 | 73% | 0.729 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -55.3 | -38.9 | -170.7 | -175.6 | 177.3 | -10.3 | 0 | 0 | 113.5 | Y68 L69 E70 | Q66-Y68 PolarHBondContact O-N 2.59Å; Q66-L69 WeakPolarHBondContact O-CB 3.5Å; Q66-L69 PolarHBondContact O-N 3.12Å; Q66-L69 VanDerWaalsContact O-N 3.17Å; Q66-E70 PolarHBondContact O-N 2.76Å; Q66-E70 VanDerWaalsContact O-N 3.15Å |
| 67 | E | 51.8 | Low | 48.2 | Very low | 129 Ų | 129 | 101.1 Ų | 101.1 | 60% | 0.603 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -58.5 | -31.3 | 177.2 | 66.3 | -171.1 | 167.2 | 0 | 0 | 113.2 | P65 | P65-E67 VanDerWaalsContact C-N 3.26Å; P65-E67 HydrophobicContact CB-CG 4.33Å; P65-E67 PolarHBondContact O-N 2.75Å |
| 68 | Y | 49.3 | Very low | 47.1 | Very low | 80 Ų | 80 | 105.4 Ų | 105.4 | 31% | 0.314 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -93.3 | -25.6 | 177.5 | -70.6 | -74.5 | 0 | 0 | 0 | 112.6 | Y50 P65 Q66 E70 Q71 F72 | Y50-Y68 WeakPolarHBondContact OH-CE2 3.38Å; P65-Y68 HydrophobicContact CB-CD2 4.17Å; P65-Y68 HydrophobicContact CG-CD2 4.23Å; P65-Y68 PolarHBondContact O-N 2.82Å; Q66-Y68 PolarHBondContact O-N 2.59Å; Y68-E70 PolarHBondContact O-N 3.44Å; Y68-Q71 PolarHBondContact O-N 3.47Å; Y68-Q71 VanDerWaalsContact O-N 3.15Å; Y68-F72 VanDerWaalsContact O-CB 3.22Å; Y68-F72 WeakPolarHBondContact O-CB 3.38Å; Y68-F72 PolarHBondContact O-N 2.86Å |
| 69 | L | 51.2 | Low | 46.9 | Very low | 68 Ų | 68 | 105.8 Ų | 105.8 | 36% | 0.356 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -56.1 | -46.7 | 168.7 | -167.1 | 74.6 | 0 | 0 | 0 | 108.6 | L64 P65 Q66 Q71 F72 L73 | L64-L69 HydrophobicContact CB-CD1 4.41Å; L64-L69 HydrophobicContact CD1-CD1 4.2Å; P65-L69 PolarHBondContact O-N 3.3Å; Q66-L69 WeakPolarHBondContact O-CB 3.5Å; Q66-L69 PolarHBondContact O-N 3.12Å; Q66-L69 VanDerWaalsContact O-N 3.17Å; L69-Q71 PolarHBondContact O-N 3.3Å; L69-F72 PolarHBondContact O-N 2.79Å; L69-L73 HydrophobicContact CD2-CD1 4.31Å; L69-L73 HydrophobicContact CG-CD1 3.91Å; L69-L73 HydrophobicContact CG-CG 4.28Å; L69-L73 VanDerWaalsContact O-CB 3.27Å; L69-L73 WeakPolarHBondContact O-CB 3.49Å; L69-L73 WeakPolarHBondContact O-CG 3.39Å; L69-L73 PolarHBondContact O-N 2.8Å |
| 70 | E | 50.9 | Low | 46.8 | Very low | 95 Ų | 95 | 102.3 Ų | 102.3 | 44% | 0.444 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61 | -40.4 | 174.8 | -69.2 | -159.9 | 177.5 | 0 | 0 | 113.7 | Q66 Y68 L73 K74 | Q66-E70 PolarHBondContact O-N 2.76Å; Q66-E70 VanDerWaalsContact O-N 3.15Å; Y68-E70 PolarHBondContact O-N 3.44Å; E70-L73 PolarHBondContact O-N 2.83Å; E70-K74 HydrophobicContact CB-CD 4.42Å; E70-K74 WeakPolarHBondContact O-CB 3.38Å; E70-K74 WeakPolarHBondContact O-CG 3.39Å; E70-K74 PolarHBondContact O-N 3.3Å; E70-K74 IonicContact OE2-NZ 3.5Å; E70-K74 PolarHBondContact OE2-NZ 3.34Å |
| 71 | Q | 45.9 | Very low | 46.6 | Very low | 119 Ų | 119 | 103.8 Ų | 103.8 | 56% | 0.556 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.9 | -41 | 177.6 | -70.9 | -179.8 | 13.5 | 0 | 0 | 112 | Y68 L69 L73 K74 G75 | Y68-Q71 PolarHBondContact O-N 3.47Å; Y68-Q71 VanDerWaalsContact O-N 3.15Å; L69-Q71 PolarHBondContact O-N 3.3Å; Q71-L73 VanDerWaalsContact C-N 3.34Å; Q71-K74 PolarHBondContact O-N 2.98Å; Q71-G75 WeakPolarHBondContact O-CA 3.46Å; Q71-G75 PolarHBondContact O-N 3.31Å |
| 72 | F | 44.2 | Very low | 46.5 | Very low | 50 Ų | 50 | 103.9 Ų | 103.9 | 22% | 0.219 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -65.1 | -40.1 | 176.6 | -166.3 | -90.1 | 0 | 0 | 0 | 111.1 | F24 L64 Y68 L69 | F24-F72 HydrophobicContact CD1-CZ 4.08Å; F24-F72 HydrophobicContact CE1-CE1 4.33Å; F24-F72 HydrophobicContact CE1-CE2 4.36Å; F24-F72 AromaticContact CE1-CZ 3.5Å; F24-F72 HydrophobicContact CE1-CZ 3.5Å; F24-F72 VanDerWaalsContact CE1-CZ 3.5Å; F24-F72 HydrophobicContact CE2-CZ 4.45Å; F24-F72 HydrophobicContact CZ-CE2 4.36Å; F24-F72 AromaticContact CZ-CZ 3.71Å; F24-F72 HydrophobicContact CZ-CZ 3.71Å; L64-F72 HydrophobicContact CD1-CB 4.26Å; L64-F72 HydrophobicContact CD1-CD2 4.44Å; L64-F72 HydrophobicContact CD1-CG 4.18Å; Y68-F72 VanDerWaalsContact O-CB 3.22Å; Y68-F72 WeakPolarHBondContact O-CB 3.38Å; Y68-F72 PolarHBondContact O-N 2.86Å; L69-F72 PolarHBondContact O-N 2.79Å |
| 73 | L | 48.7 | Very low | 46.2 | Very low | 80 Ų | 80 | 106.6 Ų | 106.6 | 42% | 0.419 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -72.5 | -35.7 | 176 | -67.3 | 176.1 | 0 | 0 | 0 | 113.2 | Y17 L69 E70 Q71 | Y17-L73 HydrophobicContact CD2-CD2 3.09Å; Y17-L73 HydrophobicContact CE2-CD2 3.03Å; Y17-L73 HydrophobicContact CG-CD2 4.21Å; L69-L73 HydrophobicContact CD2-CD1 4.31Å; L69-L73 HydrophobicContact CG-CD1 3.91Å; L69-L73 HydrophobicContact CG-CG 4.28Å; L69-L73 VanDerWaalsContact O-CB 3.27Å; L69-L73 WeakPolarHBondContact O-CB 3.49Å; L69-L73 WeakPolarHBondContact O-CG 3.39Å; L69-L73 PolarHBondContact O-N 2.8Å; E70-L73 PolarHBondContact O-N 2.83Å; Q71-L73 VanDerWaalsContact C-N 3.34Å |
| 74 | K | 49.2 | Very low | 46 | Very low | 158 Ų | 158 | 98.9 Ų | 98.9 | 69% | 0.687 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -90 | -22.1 | -175.1 | -72.9 | 171.8 | 178.7 | 166.7 | 0 | 113.6 | E70 Q71 | E70-K74 HydrophobicContact CB-CD 4.42Å; E70-K74 WeakPolarHBondContact O-CB 3.38Å; E70-K74 WeakPolarHBondContact O-CG 3.39Å; E70-K74 PolarHBondContact O-N 3.3Å; E70-K74 IonicContact OE2-NZ 3.5Å; E70-K74 PolarHBondContact OE2-NZ 3.34Å; Q71-K74 PolarHBondContact O-N 2.98Å |
| 75 | G | 39.1 | Very low | 45.7 | Very low | 41 Ų | 41 | 103.3 Ų | 103.3 | 42% | 0.423 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -142.6 | 62.9 | -164.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q71 C77 | Q71-G75 WeakPolarHBondContact O-CA 3.46Å; Q71-G75 PolarHBondContact O-N 3.31Å; G75-C77 PolarHBondContact O-N 3.16Å |
| 76 | G | 37.3 | Very low | 45.6 | Very low | 45 Ų | 45 | 106.4 Ų | 106.4 | 46% | 0.464 | 55% | 0.547 | S | S | . | . | trans | -27.9 | 114.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110 | Q78 | G76-Q78 PolarHBondContact O-N 2.87Š| ||
| 77 | C | 37 | Very low | 44.7 | Very low | 96 Ų | 96 | 102.3 Ų | 102.3 | 65% | 0.649 | 53% | 0.531 | S | S | * | . | trans | -54 | 115.1 | -167.4 | -71.2 | 0 | 0 | 0 | 0 | 109.3 | G75 | G75-C77 PolarHBondContact O-N 3.16Š| ||
| 78 | Q | 31.5 | Very low | 44 | Very low | 266 Ų | 266 | 99.8 Ų | 99.8 | 100% | 1.243 | 53% | 0.525 | S | S | * | . | trans | -58.6 | 0 | 170.2 | -73.2 | -176.6 | -14.8 | 0 | 0 | 111.8 | G76 | G76-Q78 PolarHBondContact O-N 2.87Š|
Retrieved 78 of 78 residues in 22.7 ms
(Link to these results)