| 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 | 47.2 | Very low | 66.4 | Low | 231 Ų | 231 | 128.4 Ų | 128.4 | 100% | 1.138 | 80% | 0.804 | S | S | * | * | 0 | 113.6 | 0 | -71.3 | 139.3 | 62 | 0 | 0 | 107.1 | |||||
| 2 | N | 49 | Very low | 67 | Low | 174 Ų | 174 | 133 Ų | 133 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | trans | -164.8 | 92.1 | 161.8 | -90.6 | -13.7 | 0 | 0 | 0 | 105.7 | S4 | N2-S4 PolarHBondContact O-N 3.32Š| ||
| 3 | S | 61.9 | Low | 67.7 | Low | 123 Ų | 123 | 132 Ų | 132 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | -73.3 | 112.6 | 174.1 | -61.4 | 0 | 0 | 0 | 0 | 107.8 | P5 | S3-P5 WeakPolarHBondContact O-CD 3.44Š| ||
| 4 | S | 69.4 | Low | 67.9 | Low | 112 Ų | 112 | 135.5 Ų | 135.5 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -64 | 121.2 | 175.5 | -170 | 0 | 0 | 0 | 0 | 109.2 | N2 G6 | N2-S4 PolarHBondContact O-N 3.32Å; S4-G6 PolarHBondContact O-N 3.11Å |
| 5 | P | 61.6 | Low | 67.5 | Low | 120 Ų | 120 | 139.3 Ų | 139.3 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 123.4 | 177.3 | 25.8 | -27.2 | 0 | 0 | 0 | 109 | S3 | S3-P5 WeakPolarHBondContact O-CD 3.44Š|
| 6 | G | 64.9 | Low | 66.8 | Low | 60 Ų | 60 | 134.2 Ų | 134.2 | 62% | 0.619 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 160.1 | 180 | 0 | 0 | 0 | 0 | 0 | 112.5 | S4 A8 | S4-G6 PolarHBondContact O-N 3.11Å; G6-A8 PolarHBondContact O-N 3.34Å; G6-A8 VanDerWaalsContact O-N 3.11Å |
| 7 | P | 67.5 | Low | 66.5 | Low | 129 Ų | 129 | 130.5 Ų | 130.5 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 117.3 | -176.8 | 25.7 | -32.7 | 0 | 0 | 0 | 110.1 | I9 | P7-I9 PolarHBondContact O-N 3.07Š|
| 8 | A | 76.4 | Confident | 66.2 | Low | 95 Ų | 95 | 132.1 Ų | 132.1 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 116.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | G6 A10 | G6-A8 PolarHBondContact O-N 3.34Å; G6-A8 VanDerWaalsContact O-N 3.11Å; A8-A10 PolarHBondContact O-N 3.28Å |
| 9 | I | 76.8 | Confident | 66.4 | Low | 160 Ų | 160 | 133.9 Ų | 133.9 | 82% | 0.821 | 79% | 0.792 | S | S | * | * | trans | -73 | 100.9 | 172.6 | -60.9 | 173.2 | 0 | 0 | 0 | 106.9 | P7 | P7-I9 PolarHBondContact O-N 3.07Š| ||
| 10 | A | 77.4 | Confident | 67.4 | Low | 65 Ų | 65 | 129.6 Ų | 129.6 | 54% | 0.537 | 78% | 0.776 | S | S | . | * | trans | -86 | 108.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109 | A8 F12 | A8-A10 PolarHBondContact O-N 3.28Å; A10-F12 HydrophobicContact CB-CD2 4.29Å; A10-F12 HydrophobicContact CB-CE2 3.71Å; A10-F12 HydrophobicContact CB-CZ 4.06Å; A10-F12 PolarHBondContact O-N 3.27Å | ||
| 11 | L | 78.3 | Confident | 68.6 | Low | 143 Ų | 143 | 127.2 Ų | 127.2 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | trans | -84.9 | 97.2 | 175.6 | -153.7 | 82.7 | 0 | 0 | 0 | 108.9 | L13 | L11-L13 HydrophobicContact CD2-CD2 4.16Å; L11-L13 PolarHBondContact O-N 2.75Å | ||
| 12 | F | 73.4 | Confident | 70.9 | Confident | 184 Ų | 184 | 118.3 Ų | 118.3 | 81% | 0.807 | 72% | 0.72 | S | S | * | * | trans | -80.7 | 96.4 | 175 | -67.8 | -77 | 0 | 0 | 0 | 109.9 | A10 M14 | A10-F12 HydrophobicContact CB-CD2 4.29Å; A10-F12 HydrophobicContact CB-CE2 3.71Å; A10-F12 HydrophobicContact CB-CZ 4.06Å; A10-F12 PolarHBondContact O-N 3.27Å; F12-M14 PolarHBondContact O-N 3.23Å | ||
| 13 | L | 76.3 | Confident | 73.3 | Confident | 120 Ų | 120 | 112.2 Ų | 112.2 | 63% | 0.628 | 69% | 0.689 | S | S | * | * | trans | -72.7 | 96.6 | 168.9 | -63.5 | 174.6 | 0 | 0 | 0 | 108.2 | L11 F15 | L11-L13 HydrophobicContact CD2-CD2 4.16Å; L11-L13 PolarHBondContact O-N 2.75Å; L13-F15 HydrophobicContact CB-CD2 4.43Å; L13-F15 HydrophobicContact CB-CE2 4.07Å; L13-F15 WeakPolarHBondContact O-CD2 3.25Å; L13-F15 PolarHBondContact O-N 3.41Å | ||
| 14 | M | 71.3 | Confident | 75 | Confident | 181 Ų | 181 | 110.1 Ų | 110.1 | 89% | 0.892 | 67% | 0.671 | S | S | * | * | trans | -68.3 | 100.6 | 166.5 | -64.8 | -153.5 | -64.3 | 0 | 0 | 107.5 | F12 G16 | F12-M14 PolarHBondContact O-N 3.23Å; M14-G16 PolarHBondContact O-N 3.32Å | ||
| 15 | F | 60.6 | Low | 76.3 | Confident | 193 Ų | 193 | 107.7 Ų | 107.7 | 85% | 0.846 | 65% | 0.647 | S | S | * | * | trans | -70.3 | 68.8 | 168.2 | -70.5 | -86.2 | 0 | 0 | 0 | 108.9 | L13 G17 | L13-F15 HydrophobicContact CB-CD2 4.43Å; L13-F15 HydrophobicContact CB-CE2 4.07Å; L13-F15 WeakPolarHBondContact O-CD2 3.25Å; L13-F15 PolarHBondContact O-N 3.41Å; F15-G17 PolarHBondContact O-N 3.21Å | ||
| 16 | G | 57.7 | Low | 78 | Confident | 57 Ų | 57 | 104 Ų | 104 | 59% | 0.588 | 62% | 0.623 | S | S | * | * | trans | -64.8 | 116.8 | 161.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | M14 I18 | M14-G16 PolarHBondContact O-N 3.32Å; G16-I18 PolarHBondContact O-N 3.32Å; G16-I18 VanDerWaalsContact O-N 3.13Å | ||
| 17 | G | 60.4 | Low | 79.3 | Confident | 71 Ų | 71 | 109.9 Ų | 109.9 | 73% | 0.732 | 63% | 0.634 | S | S | * | * | trans | -56.2 | 119.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109 | F15 N19 | F15-G17 PolarHBondContact O-N 3.21Å; G17-N19 PolarHBondContact O-N 2.84Å | ||
| 18 | I | 61.6 | Low | 80.5 | Confident | 160 Ų | 160 | 107.2 Ų | 107.2 | 82% | 0.821 | 63% | 0.63 | S | S | * | * | trans | -79.3 | 101.2 | 173.5 | -61.1 | 171.7 | 0 | 0 | 0 | 105.6 | G16 G20 | G16-I18 PolarHBondContact O-N 3.32Å; G16-I18 VanDerWaalsContact O-N 3.13Å; I18-G20 PolarHBondContact O-N 2.93Å | ||
| 19 | N | 69.6 | Low | 81.3 | Confident | 167 Ų | 167 | 110.8 Ų | 110.8 | 89% | 0.893 | 63% | 0.631 | S | S | * | * | trans | -71.5 | 80.7 | 164.7 | -67.8 | -26 | 0 | 0 | 0 | 107.2 | G17 | G17-N19 PolarHBondContact O-N 2.84Š| ||
| 20 | G | 86 | Confident | 82.2 | Confident | 46 Ų | 46 | 106.4 Ų | 106.4 | 47% | 0.474 | 61% | 0.611 | S | S | . | * | trans | -91.7 | 152.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | I18 | I18-G20 PolarHBondContact O-N 2.93Š| ||
| 21 | D | 93.6 | Very high | 83 | Confident | 81 Ų | 81 | 110.3 Ų | 110.3 | 43% | 0.433 | 62% | 0.622 | S | S | . | * | trans | -68.3 | 139.6 | 165.6 | -70.9 | -23.5 | 0 | 0 | 0 | 109.5 | E45 T46 L111 | D21-E45 WeakPolarHBondContact CA-O 3.37Å; D21-T46 VanDerWaalsContact CG-OG1 3.24Å; D21-T46 VanDerWaalsContact OD1-CA 3.28Å; D21-T46 WeakPolarHBondContact OD1-CA 3.41Å; D21-T46 WeakPolarHBondContact OD1-CB 3.16Å; D21-T46 PolarHBondContact OD1-OG1 2.99Å; D21-L111 HydrophobicContact CB-CD1 3.85Å; D21-L111 HydrophobicContact CB-CD2 4.46Å; D21-L111 HydrophobicContact CB-CG 4.33Å | ||
| 22 | S | 96.3 | Very high | 83.8 | Confident | 43 Ų | 43 | 105.9 Ų | 105.9 | 30% | 0.301 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -144.7 | 158.9 | -178.1 | 74.6 | 0 | 0 | 0 | 0 | 113.4 | Y44 E45 L111 | S22-Y44 CarbonylContact O-C 3.52Å; S22-Y44 VanDerWaalsContact O-CA 3.26Å; S22-Y44 WeakPolarHBondContact O-CA 3.17Å; S22-E45 PolarHBondContact N-O 3.07Å; S22-E45 PolarHBondContact O-N 3.02Å; S22-L111 VanDerWaalsContact C-CD2 3.46Å; S22-L111 WeakPolarHBondContact O-CD2 3.41Å |
| 23 | V | 97.7 | Very high | 85 | Confident | 46 Ų | 46 | 100.9 Ų | 100.9 | 28% | 0.279 | 59% | 0.59 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.7 | 147.2 | 165.3 | -69.6 | 0 | 0 | 0 | 0 | 110.1 | S43 L111 | V23-S43 CarbonylContact C-O 3.53Å; V23-S43 VanDerWaalsContact CA-O 3.27Å; V23-S43 WeakPolarHBondContact CA-O 3.23Å; V23-L111 HydrophobicContact CB-CD2 4.44Å; V23-L111 HydrophobicContact CG1-CB 4.42Å; V23-L111 HydrophobicContact CG1-CD2 3.44Å; V23-L111 VanDerWaalsContact CG1-CD2 3.44Å |
| 24 | V | 97.9 | Very high | 86 | Confident | 79 Ų | 79 | 102.4 Ų | 102.4 | 48% | 0.479 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.7 | 123.6 | 168.7 | -179.2 | 0 | 0 | 0 | 0 | 107.1 | C42 S43 | V24-C42 CarbonylContact O-C 3.53Å; V24-C42 WeakPolarHBondContact O-CA 3.04Å; V24-S43 PolarHBondContact N-O 2.91Å; V24-S43 PolarHBondContact O-N 3.12Å; V24-S43 PolarHBondContact O-OG 3.27Å |
| 25 | Q | 97.9 | Very high | 87.2 | Confident | 61 Ų | 61 | 95.8 Ų | 95.8 | 29% | 0.285 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.9 | 165.5 | -179.4 | 60.7 | 172.9 | 65.7 | 0 | 0 | 111.5 | E27 N41 Y107 | Q25-E27 PolarHBondContact O-N 2.97Å; Q25-N41 CarbonylContact C-O 3.58Å; Q25-N41 WeakPolarHBondContact CA-O 3.34Å; Q25-N41 VanDerWaalsContact CB-O 3.3Å; Q25-N41 WeakPolarHBondContact CB-O 3.33Å; Q25-Y107 PolarHBondContact NE2-O 2.98Å |
| 26 | T | 96.5 | Very high | 89 | Confident | 44 Ų | 44 | 90.2 Ų | 90.2 | 27% | 0.27 | 55% | 0.55 | S | S | . | * | trans | -51.6 | 125.3 | 172.6 | -59.6 | 0 | 0 | 0 | 0 | 110.2 | V30 N41 | T26-V30 HydrophobicContact CG2-CG2 3.9Å; T26-N41 PolarHBondContact N-O 3.04Å; T26-N41 WeakPolarHBondContact OG1-CB 3.04Å; T26-N41 PolarHBondContact OG1-N 3.31Å | ||
| 27 | E | 92.5 | Very high | 90.9 | Very high | 182 Ų | 182 | 91.8 Ų | 91.8 | 85% | 0.85 | 55% | 0.553 | S | S | * | * | trans | -84.2 | 148.7 | 178 | -63.5 | -171.4 | 166.8 | 0 | 0 | 111.7 | Q25 | Q25-E27 PolarHBondContact O-N 2.97Š| ||
| 28 | G | 92.9 | Very high | 92.7 | Very high | 74 Ų | 74 | 89.4 Ų | 89.4 | 76% | 0.763 | 52% | 0.523 | S | S | * | . | S | Bend | trans | 77.4 | -156.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 29 | Q | 93.5 | Very high | 94.4 | Very high | 170 Ų | 170 | 86.3 Ų | 86.3 | 79% | 0.794 | 51% | 0.507 | S | S | * | . | trans | -96.2 | 136.4 | -177 | -67.8 | -179.6 | -32.5 | 0 | 0 | 110.7 | L31 | Q29-L31 HydrophobicContact CB-CG 4.31Š| ||
| 30 | V | 94.7 | Very high | 95.8 | Very high | 68 Ų | 68 | 79.1 Ų | 79.1 | 41% | 0.412 | 47% | 0.469 | S | S | . | . | trans | -105 | 119.7 | 167.4 | -168.6 | 0 | 0 | 0 | 0 | 107.2 | T26 P32 L38 | T26-V30 HydrophobicContact CG2-CG2 3.9Å; V30-P32 VanDerWaalsContact O-CD 3.25Å; V30-P32 WeakPolarHBondContact O-CD 3.25Å; V30-L38 HydrophobicContact CB-CD1 4.21Å; V30-L38 HydrophobicContact CG1-CD1 3.45Å; V30-L38 VanDerWaalsContact CG1-CD1 3.45Å | ||
| 31 | L | 95.2 | Very high | 96.4 | Very high | 147 Ų | 147 | 80.9 Ų | 80.9 | 77% | 0.77 | 47% | 0.468 | S | S | * | . | trans | -119.9 | 72 | -173.9 | -62.6 | 174.5 | 0 | 0 | 0 | 110.6 | Q29 | Q29-L31 HydrophobicContact CB-CG 4.31Š| ||
| 32 | P | 94.8 | Very high | 96.6 | Very high | 50 Ų | 50 | 77 Ų | 77 | 33% | 0.325 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 156.7 | 174 | 33.2 | -35.5 | 0 | 0 | 0 | 111.2 | V30 D36 L38 V99 | V30-P32 VanDerWaalsContact O-CD 3.25Å; V30-P32 WeakPolarHBondContact O-CD 3.25Å; P32-D36 HydrophobicContact CB-CB 4.11Å; P32-L38 HydrophobicContact CG-CD1 4.36Å; P32-V99 HydrophobicContact CB-CG2 3.91Å; P32-V99 HydrophobicContact CG-CB 4.31Å; P32-V99 HydrophobicContact CG-CG1 4.03Å; P32-V99 HydrophobicContact CG-CG2 3.79Å |
| 33 | S | 97.4 | Very high | 96.7 | Very high | 78 Ų | 78 | 77.1 Ų | 77.1 | 55% | 0.545 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 154 | 169.3 | -45.8 | 0 | 0 | 0 | 0 | 109.9 | G35 D36 V99 | S33-G35 PolarHBondContact O-N 3.02Å; S33-D36 WeakPolarHBondContact CA-OD2 3.48Å; S33-D36 WeakPolarHBondContact CB-OD2 3.28Å; S33-D36 PolarHBondContact N-OD2 2.99Å; S33-D36 VanDerWaalsContact O-CB 3.23Å; S33-D36 WeakPolarHBondContact O-CB 3.44Å; S33-D36 PolarHBondContact O-N 3.11Å; S33-D36 PolarHBondContact OG-OD2 3.21Å; S33-V99 WeakPolarHBondContact O-CG2 3.24Å |
| 34 | E | 97 | Very high | 96.7 | Very high | 153 Ų | 153 | 75.4 Ų | 75.4 | 72% | 0.715 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 132.4 | 174 | -173.8 | 172.1 | -159.2 | 0 | 0 | 111 | D36 | E34-D36 VanDerWaalsContact C-N 3.32Š|
| 35 | G | 97.9 | Very high | 96.6 | Very high | 41 Ų | 41 | 77.9 Ų | 77.9 | 42% | 0.423 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | -12.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | S33 V99 | S33-G35 PolarHBondContact O-N 3.02Å; G35-V99 PolarHBondContact N-O 3.31Å |
| 36 | D | 98.1 | Very high | 96.4 | Very high | 76 Ų | 76 | 76.8 Ų | 76.8 | 41% | 0.406 | 44% | 0.44 | S | S | . | . | trans | -70.1 | 154.4 | 176.2 | -69.8 | -18.4 | 0 | 0 | 0 | 111.4 | P32 S33 E34 S98 V99 | P32-D36 HydrophobicContact CB-CB 4.11Å; S33-D36 WeakPolarHBondContact CA-OD2 3.48Å; S33-D36 WeakPolarHBondContact CB-OD2 3.28Å; S33-D36 PolarHBondContact N-OD2 2.99Å; S33-D36 VanDerWaalsContact O-CB 3.23Å; S33-D36 WeakPolarHBondContact O-CB 3.44Å; S33-D36 PolarHBondContact O-N 3.11Å; S33-D36 PolarHBondContact OG-OD2 3.21Å; E34-D36 VanDerWaalsContact C-N 3.32Å; D36-S98 WeakPolarHBondContact O-CA 3.48Å; D36-V99 HydrophobicContact CB-CG2 4.44Å; D36-V99 WeakPolarHBondContact O-CG2 3.44Å; D36-V99 PolarHBondContact O-N 2.79Å | ||
| 37 | S | 98.2 | Very high | 96.2 | Very high | 91 Ų | 91 | 81.3 Ų | 81.3 | 64% | 0.636 | 47% | 0.468 | S | S | * | . | trans | -77.2 | 138.3 | 167 | 61.7 | 0 | 0 | 0 | 0 | 110.8 | K96 D97 | S37-K96 CarbonylContact C-O 3.51Å; S37-K96 WeakPolarHBondContact CA-O 3.36Å; S37-D97 WeakPolarHBondContact CA-O 3.26Å; S37-D97 PolarHBondContact N-O 3.14Å | ||
| 38 | L | 97.4 | Very high | 96.1 | Very high | 20 Ų | 20 | 79 Ų | 79 | 11% | 0.105 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 136.8 | 178.7 | 172.8 | 65.8 | 0 | 0 | 0 | 110.9 | V30 P32 V40 F81 E95 K96 V99 | V30-L38 HydrophobicContact CB-CD1 4.21Å; V30-L38 HydrophobicContact CG1-CD1 3.45Å; V30-L38 VanDerWaalsContact CG1-CD1 3.45Å; P32-L38 HydrophobicContact CG-CD1 4.36Å; L38-V40 HydrophobicContact CD1-CG2 3.94Å; L38-V40 HydrophobicContact CD2-CG2 4.21Å; L38-V40 HydrophobicContact CG-CG2 4.08Å; L38-F81 HydrophobicContact CD2-CE1 4.2Å; L38-E95 CarbonylContact O-C 3.54Å; L38-E95 WeakPolarHBondContact O-CA 3.33Å; L38-K96 PolarHBondContact N-O 2.9Å; L38-K96 PolarHBondContact O-N 3.39Å; L38-V99 HydrophobicContact CB-CG1 3.41Å; L38-V99 VanDerWaalsContact CB-CG1 3.41Å; L38-V99 HydrophobicContact CD2-CG1 3.87Å; L38-V99 HydrophobicContact CG-CG1 4.26Å |
| 39 | I | 98 | Very high | 96.1 | Very high | 95 Ų | 95 | 83.9 Ų | 83.9 | 49% | 0.487 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 122.5 | 165.6 | -54.6 | -179 | 0 | 0 | 0 | 108.2 | H93 L94 E95 | I39-H93 HydrophobicContact CG2-CB 4.28Å; I39-L94 CarbonylContact C-O 3.53Å; I39-L94 WeakPolarHBondContact CA-O 3.45Å; I39-E95 HydrophobicContact CG1-CG 4.23Å; I39-E95 HydrophobicContact CG2-CG 4.31Å |
| 40 | V | 98.3 | Very high | 96.3 | Very high | 16 Ų | 16 | 76 Ų | 76 | 10% | 0.097 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 117.3 | 169.5 | -172.7 | 0 | 0 | 0 | 0 | 107.9 | L38 W54 H93 L94 | L38-V40 HydrophobicContact CD1-CG2 3.94Å; L38-V40 HydrophobicContact CD2-CG2 4.21Å; L38-V40 HydrophobicContact CG-CG2 4.08Å; V40-W54 HydrophobicContact CB-CH2 4.26Å; V40-W54 HydrophobicContact CG1-CH2 3.77Å; V40-W54 HydrophobicContact CG1-CZ3 4.42Å; V40-H93 WeakPolarHBondContact O-CA 3.41Å; V40-L94 HydrophobicContact CB-CB 4.19Å; V40-L94 PolarHBondContact N-O 2.75Å; V40-L94 PolarHBondContact O-N 3.03Å |
| 41 | N | 98.4 | Very high | 96.4 | Very high | 83 Ų | 83 | 73.8 Ų | 73.8 | 44% | 0.444 | 41% | 0.405 | S | S | . | . | trans | -71.9 | 141.3 | -176.9 | -65 | -23.4 | 0 | 0 | 0 | 109.7 | Q25 T26 | Q25-N41 CarbonylContact C-O 3.58Å; Q25-N41 WeakPolarHBondContact CA-O 3.34Å; Q25-N41 VanDerWaalsContact CB-O 3.3Å; Q25-N41 WeakPolarHBondContact CB-O 3.33Å; T26-N41 PolarHBondContact N-O 3.04Å; T26-N41 WeakPolarHBondContact OG1-CB 3.04Å; T26-N41 PolarHBondContact OG1-N 3.31Å | ||
| 42 | C | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 122.7 | 165.3 | 174.8 | 0 | 0 | 0 | 0 | 108.9 | V24 W54 S91 F92 H93 C109 | V24-C42 CarbonylContact O-C 3.53Å; V24-C42 WeakPolarHBondContact O-CA 3.04Å; C42-W54 HydrophobicContact CB-CH2 4.04Å; C42-W54 HydrophobicContact CB-CZ2 3.45Å; C42-W54 VanDerWaalsContact CB-CZ2 3.45Å; C42-S91 WeakPolarHBondContact O-CA 3.04Å; C42-S91 WeakPolarHBondContact O-CB 3.24Å; C42-F92 PolarHBondContact O-N 3.24Å; C42-H93 PolarHBondContact N-ND1 3.09Å; C42-H93 PolarHBondContact O-CE1 2.88Å; C42-H93 VanDerWaalsContact O-CE1 3.31Å; C42-H93 PolarHBondContact O-ND1 2.72Å; C42-C109 HydrophobicContact CB-CB 3.57Å; C42-C109 WeakPolarHBondContact CB-SG 3.32Å; C42-C109 WeakPolarHBondContact SG-CB 3.42Å; C42-C109 CovalentContact SG-SG 2.01Å; C42-C109 PolarHBondContact SG-SG 2.9Å |
| 43 | S | 98.2 | Very high | 96.8 | Very high | 45 Ų | 45 | 65.9 Ų | 65.9 | 32% | 0.315 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 154 | 168.5 | 51.7 | 0 | 0 | 0 | 0 | 109.5 | V23 V24 T90 | V23-S43 CarbonylContact C-O 3.53Å; V23-S43 VanDerWaalsContact CA-O 3.27Å; V23-S43 WeakPolarHBondContact CA-O 3.23Å; V24-S43 PolarHBondContact N-O 2.91Å; V24-S43 PolarHBondContact O-N 3.12Å; V24-S43 PolarHBondContact O-OG 3.27Å; S43-T90 CarbonylContact C-O 3.58Å; S43-T90 WeakPolarHBondContact CA-O 3.36Å |
| 44 | Y | 97.1 | Very high | 96.8 | Very high | 10 Ų | 10 | 62.2 Ų | 62.2 | 4% | 0.039 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 152.4 | 179 | 67.4 | -94.2 | 0 | 0 | 0 | 111 | S22 T46 P50 L52 Y85 T90 | S22-Y44 CarbonylContact O-C 3.52Å; S22-Y44 VanDerWaalsContact O-CA 3.26Å; S22-Y44 WeakPolarHBondContact O-CA 3.17Å; Y44-T46 HydrophobicContact CD2-CG2 3.59Å; Y44-T46 HydrophobicContact CE2-CG2 3.67Å; Y44-P50 HydrophobicContact CD2-CG 3.92Å; Y44-P50 HydrophobicContact CE2-CG 3.72Å; Y44-L52 HydrophobicContact CD1-CD1 3.76Å; Y44-L52 HydrophobicContact CD1-CD2 3.78Å; Y44-L52 HydrophobicContact CD1-CG 4.45Å; Y44-L52 HydrophobicContact CE1-CD1 3.57Å; Y44-L52 HydrophobicContact CE1-CD2 4.27Å; Y44-L52 HydrophobicContact CG-CD2 4.08Å; Y44-Y85 HydrophobicContact CE1-CD2 4.5Å; Y44-Y85 HydrophobicContact CE1-CE2 4.13Å; Y44-Y85 AromaticContact CZ-CE2 3.98Å; Y44-Y85 WeakPolarHBondContact OH-CE2 3.09Å; Y44-T90 VanDerWaalsContact CD1-C 3.48Å; Y44-T90 VanDerWaalsContact CD1-O 3.26Å; Y44-T90 WeakPolarHBondContact CD1-O 3.27Å; Y44-T90 HydrophobicContact CE2-CG2 4.21Å; Y44-T90 PolarHBondContact N-O 2.92Å; Y44-T90 WeakPolarHBondContact O-CB 3.2Å; Y44-T90 PolarHBondContact O-OG1 2.78Å |
| 45 | E | 96.4 | Very high | 96.9 | Very high | 131 Ų | 131 | 58.7 Ų | 58.7 | 61% | 0.612 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 122.6 | 171 | -62.1 | -173.5 | 175 | 0 | 0 | 108.5 | D21 S22 | D21-E45 WeakPolarHBondContact CA-O 3.37Å; S22-E45 PolarHBondContact N-O 3.07Å; S22-E45 PolarHBondContact O-N 3.02Å |
| 46 | T | 94.3 | Very high | 96.9 | Very high | 38 Ų | 38 | 57 Ų | 57 | 23% | 0.233 | 30% | 0.295 | C | S | . | . | trans | -162 | 156.6 | 178 | -179.5 | 0 | 0 | 0 | 0 | 109.8 | D21 Y44 Q48 P50 L111 | D21-T46 VanDerWaalsContact CG-OG1 3.24Å; D21-T46 VanDerWaalsContact OD1-CA 3.28Å; D21-T46 WeakPolarHBondContact OD1-CA 3.41Å; D21-T46 WeakPolarHBondContact OD1-CB 3.16Å; D21-T46 PolarHBondContact OD1-OG1 2.99Å; Y44-T46 HydrophobicContact CD2-CG2 3.59Å; Y44-T46 HydrophobicContact CE2-CG2 3.67Å; T46-Q48 PolarHBondContact OG1-N 3.47Å; T46-Q48 VanDerWaalsContact OG1-N 3.14Å; T46-P50 HydrophobicContact CG2-CB 4.34Å; T46-P50 HydrophobicContact CG2-CG 3.73Å; T46-L111 HydrophobicContact CG2-CD1 4.13Å | ||
| 47 | T | 91.5 | Very high | 97 | Very high | 139 Ų | 139 | 56.2 Ų | 56.2 | 85% | 0.853 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -89.4 | -3.7 | 172.6 | 58.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 48 | Q | 90.6 | Very high | 96.9 | Very high | 134 Ų | 134 | 53.5 Ų | 53.5 | 63% | 0.626 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -114.1 | -166.6 | -172.9 | -57.2 | -168.7 | 15.3 | 0 | 0 | 113 | T46 P50 | T46-Q48 PolarHBondContact OG1-N 3.47Å; T46-Q48 VanDerWaalsContact OG1-N 3.14Å; Q48-P50 VanDerWaalsContact O-CD 3.26Å; Q48-P50 WeakPolarHBondContact O-CD 3.36Å |
| 49 | Y | 93 | Very high | 96.9 | Very high | 177 Ų | 177 | 57.8 Ų | 57.8 | 69% | 0.694 | 30% | 0.295 | S | S | * | . | trans | -106.4 | 84.3 | 173.4 | -63.3 | -85 | 0 | 0 | 0 | 108.8 | K87 | Y49-K87 HydrophobicContact CE1-CD 4.31Å; Y49-K87 VanDerWaalsContact CE1-CE 3.5Å | ||
| 50 | P | 96.8 | Very high | 96.9 | Very high | 4 Ų | 4 | 57.6 Ų | 57.6 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | trans | -70.8 | 156.3 | -171.5 | 30.6 | -39.2 | 0 | 0 | 0 | 111.2 | Y44 T46 Q48 L52 Y85 L111 S112 | Y44-P50 HydrophobicContact CD2-CG 3.92Å; Y44-P50 HydrophobicContact CE2-CG 3.72Å; T46-P50 HydrophobicContact CG2-CB 4.34Å; T46-P50 HydrophobicContact CG2-CG 3.73Å; Q48-P50 VanDerWaalsContact O-CD 3.26Å; Q48-P50 WeakPolarHBondContact O-CD 3.36Å; P50-L52 HydrophobicContact CB-CD2 4.14Å; P50-L52 HydrophobicContact CG-CD2 3.93Å; P50-L52 HydrophobicContact CG-CG 4.41Å; P50-Y85 WeakPolarHBondContact CD-OH 3.3Å; P50-Y85 WeakPolarHBondContact O-CE1 3.36Å; P50-Y85 PolarHBondContact O-OH 2.79Å; P50-L111 HydrophobicContact CB-CB 3.96Å; P50-L111 HydrophobicContact CB-CD1 3.85Å; P50-L111 HydrophobicContact CB-CG 4.49Å; P50-L111 HydrophobicContact CG-CD1 4.31Å; P50-S112 CarbonylContact C-O 3.52Å; P50-S112 WeakPolarHBondContact CA-O 3.34Å | ||
| 51 | S | 98 | Very high | 96.8 | Very high | 22 Ų | 22 | 61.2 Ų | 61.2 | 15% | 0.154 | 33% | 0.332 | C | S | . | . | trans | -83.6 | 141.6 | 153.5 | -61.3 | 0 | 0 | 0 | 0 | 109.1 | F53 A69 M70 L111 S112 | S51-F53 WeakPolarHBondContact O-CE2 3.13Å; S51-A69 WeakPolarHBondContact CA-O 3.18Å; S51-M70 VanDerWaalsContact OG-CE 3.3Å; S51-M70 WeakPolarHBondContact OG-CE 3.27Å; S51-L111 VanDerWaalsContact O-CA 3.31Å; S51-L111 WeakPolarHBondContact O-CA 3.33Å; S51-S112 PolarHBondContact N-O 3.01Å; S51-S112 PolarHBondContact O-N 2.93Å | ||
| 52 | L | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 140.8 | -174.7 | -59 | 173.7 | 0 | 0 | 0 | 110.5 | Y44 P50 K68 A69 Y85 F92 L111 | Y44-L52 HydrophobicContact CD1-CD1 3.76Å; Y44-L52 HydrophobicContact CD1-CD2 3.78Å; Y44-L52 HydrophobicContact CD1-CG 4.45Å; Y44-L52 HydrophobicContact CE1-CD1 3.57Å; Y44-L52 HydrophobicContact CE1-CD2 4.27Å; Y44-L52 HydrophobicContact CG-CD2 4.08Å; P50-L52 HydrophobicContact CB-CD2 4.14Å; P50-L52 HydrophobicContact CG-CD2 3.93Å; P50-L52 HydrophobicContact CG-CG 4.41Å; L52-K68 CarbonylContact O-C 3.45Å; L52-K68 VanDerWaalsContact O-CA 3.27Å; L52-K68 WeakPolarHBondContact O-CA 3.21Å; L52-A69 PolarHBondContact N-O 2.9Å; L52-A69 PolarHBondContact O-N 2.81Å; L52-Y85 HydrophobicContact CD1-CD1 3.7Å; L52-Y85 HydrophobicContact CD1-CD2 3.58Å; L52-Y85 HydrophobicContact CD1-CE1 3.9Å; L52-Y85 HydrophobicContact CD1-CE2 3.81Å; L52-Y85 HydrophobicContact CD1-CG 3.55Å; L52-Y85 HydrophobicContact CG-CD1 4.12Å; L52-Y85 HydrophobicContact CG-CE1 4.1Å; L52-Y85 HydrophobicContact CG-CG 4.45Å; L52-F92 HydrophobicContact CB-CB 4.19Å; L52-F92 HydrophobicContact CB-CD1 3.62Å; L52-F92 HydrophobicContact CB-CD2 4.18Å; L52-F92 HydrophobicContact CB-CE1 3.95Å; L52-F92 HydrophobicContact CB-CE2 4.49Å; L52-F92 HydrophobicContact CB-CG 3.75Å; L52-F92 HydrophobicContact CB-CZ 4.38Å; L52-F92 HydrophobicContact CD1-CB 3.71Å; L52-F92 HydrophobicContact CD1-CD2 4.24Å; L52-F92 HydrophobicContact CD1-CG 4.01Å; L52-F92 HydrophobicContact CG-CB 4.47Å; L52-F92 HydrophobicContact CG-CG 4.49Å; L52-L111 HydrophobicContact CD2-CB 3.71Å |
| 53 | F | 98.7 | Very high | 96.8 | Very high | 31 Ų | 31 | 63.1 Ų | 63.1 | 14% | 0.136 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 144.1 | -171.9 | -51.1 | -89.4 | 0 | 0 | 0 | 110.7 | S51 Y55 L65 L67 K68 C109 A110 | S51-F53 WeakPolarHBondContact O-CE2 3.13Å; F53-Y55 HydrophobicContact CB-CD2 4.16Å; F53-Y55 HydrophobicContact CB-CE2 3.65Å; F53-Y55 HydrophobicContact CG-CE2 4.3Å; F53-L65 HydrophobicContact CB-CD1 4.23Å; F53-L65 HydrophobicContact CD1-CD1 3.82Å; F53-L65 HydrophobicContact CG-CD1 4.49Å; F53-L67 WeakPolarHBondContact CA-O 3.3Å; F53-K68 HydrophobicContact CD1-CB 3.75Å; F53-K68 HydrophobicContact CE1-CB 4.03Å; F53-C109 WeakPolarHBondContact O-CA 3.16Å; F53-A110 HydrophobicContact CB-CB 4.43Å; F53-A110 PolarHBondContact N-O 3.1Å; F53-A110 PolarHBondContact O-N 2.92Å |
| 54 | W | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 129.6 | 157.7 | -81.3 | 100.5 | 0 | 0 | 0 | 108.6 | V40 C42 H66 L67 F92 L94 F108 C109 | V40-W54 HydrophobicContact CB-CH2 4.26Å; V40-W54 HydrophobicContact CG1-CH2 3.77Å; V40-W54 HydrophobicContact CG1-CZ3 4.42Å; C42-W54 HydrophobicContact CB-CH2 4.04Å; C42-W54 HydrophobicContact CB-CZ2 3.45Å; C42-W54 VanDerWaalsContact CB-CZ2 3.45Å; W54-H66 HydrophobicContact CB-CB 4.43Å; W54-H66 WeakPolarHBondContact O-CA 3.19Å; W54-H66 VanDerWaalsContact O-CB 3.29Å; W54-H66 WeakPolarHBondContact O-CB 3.27Å; W54-H66 PolarHBondContact O-N 2.81Å; W54-L67 HydrophobicContact CB-CB 4.11Å; W54-L67 HydrophobicContact CB-CG 4.45Å; W54-L67 PolarHBondContact N-O 2.81Å; W54-L67 PolarHBondContact O-N 3.07Å; W54-F92 AromaticContact CD1-CD1 3.48Å; W54-F92 VanDerWaalsContact CD1-CD1 3.48Å; W54-F92 AromaticContact CD1-CE1 3.41Å; W54-F92 VanDerWaalsContact CD1-CE1 3.41Å; W54-F92 HydrophobicContact CG-CE1 4.4Å; W54-F92 AromaticContact NE1-CD1 3.55Å; W54-F92 AromaticContact NE1-CE1 3.98Å; W54-F92 PolarHBondContact NE1-O 3.06Å; W54-L94 HydrophobicContact CD2-CB 4.02Å; W54-L94 HydrophobicContact CD2-CD1 4.4Å; W54-L94 HydrophobicContact CD2-CD2 4.24Å; W54-L94 HydrophobicContact CD2-CG 4.47Å; W54-L94 HydrophobicContact CE3-CD2 4.23Å; W54-L94 HydrophobicContact CG-CB 4.44Å; W54-L94 HydrophobicContact CG-CD1 4.08Å; W54-L94 HydrophobicContact CH2-CB 4.28Å; W54-L94 HydrophobicContact CZ2-CB 3.68Å; W54-F108 CarbonylContact C-O 3.54Å; W54-F108 WeakPolarHBondContact CA-O 3.3Å; W54-C109 HydrophobicContact CD2-CB 4.26Å; W54-C109 HydrophobicContact CE3-CB 4.15Å; W54-C109 HydrophobicContact CH2-CB 3.76Å; W54-C109 HydrophobicContact CZ2-CB 3.86Å; W54-C109 HydrophobicContact CZ3-CB 3.9Å |
| 55 | Y | 98.6 | Very high | 96.8 | Very high | 80 Ų | 80 | 68.8 Ų | 68.8 | 31% | 0.314 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 147 | 167.1 | -67.6 | -97.8 | 0 | 0 | 0 | 109.4 | F53 P63 Q64 L65 Y107 F108 A110 | F53-Y55 HydrophobicContact CB-CD2 4.16Å; F53-Y55 HydrophobicContact CB-CE2 3.65Å; F53-Y55 HydrophobicContact CG-CE2 4.3Å; Y55-P63 HydrophobicContact CD1-CB 4.45Å; Y55-Q64 CarbonylContact C-O 3.59Å; Y55-Q64 WeakPolarHBondContact CA-O 3.45Å; Y55-L65 HydrophobicContact CE1-CB 4.27Å; Y55-L65 HydrophobicContact CE1-CD1 4.37Å; Y55-Y107 CarbonylContact O-C 3.49Å; Y55-Y107 WeakPolarHBondContact O-CA 3.07Å; Y55-F108 PolarHBondContact N-O 3.49Å; Y55-F108 PolarHBondContact O-N 3.29Å; Y55-A110 HydrophobicContact CD2-CB 4.38Å; Y55-A110 HydrophobicContact CE2-CB 4.16Å |
| 56 | V | 98.5 | Very high | 96.9 | Very high | 4 Ų | 4 | 62.9 Ų | 62.9 | 2% | 0.024 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 137.9 | 172 | 65.2 | 0 | 0 | 0 | 0 | 108.8 | Y58 Q64 H66 A105 V106 Y107 | V56-Y58 HydrophobicContact CG1-CE2 3.96Å; V56-Y58 HydrophobicContact CG2-CD2 4.48Å; V56-Y58 HydrophobicContact CG2-CE1 4.27Å; V56-Y58 HydrophobicContact CG2-CE2 4.1Å; V56-Q64 HydrophobicContact CG1-CB 4.46Å; V56-Q64 PolarHBondContact N-O 3.36Å; V56-Q64 PolarHBondContact O-N 2.82Å; V56-H66 HydrophobicContact CB-CB 3.97Å; V56-H66 HydrophobicContact CG1-CB 3.83Å; V56-A105 HydrophobicContact CG2-CB 3.49Å; V56-A105 VanDerWaalsContact CG2-CB 3.49Å; V56-V106 CarbonylContact C-O 3.53Å; V56-V106 WeakPolarHBondContact CA-O 3.18Å; V56-Y107 HydrophobicContact CB-CD1 4.08Å; V56-Y107 HydrophobicContact CB-CE1 3.88Å; V56-Y107 HydrophobicContact CG2-CD1 4.07Å; V56-Y107 HydrophobicContact CG2-CE1 3.62Å; V56-Y107 HydrophobicContact CG2-CE2 4.16Å |
| 57 | Q | 98.4 | Very high | 97.1 | Very high | 60 Ų | 60 | 61.4 Ų | 61.4 | 28% | 0.28 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 105.1 | 175 | -175.3 | 177.5 | 18.9 | 0 | 0 | 109.2 | E61 A105 V106 F108 | Q57-E61 VanDerWaalsContact CG-O 3.28Å; Q57-E61 WeakPolarHBondContact CG-O 3.39Å; Q57-E61 PolarHBondContact NE2-O 3.09Å; Q57-A105 WeakPolarHBondContact O-CB 3.47Å; Q57-V106 HydrophobicContact CB-CB 4.38Å; Q57-V106 PolarHBondContact N-O 3.03Å; Q57-V106 PolarHBondContact O-N 2.89Å; Q57-F108 HydrophobicContact CB-CE2 3.86Å |
| 58 | Y | 97.5 | Very high | 97.4 | Very high | 34 Ų | 34 | 60.3 Ų | 60.3 | 13% | 0.133 | 33% | 0.327 | C | S | . | . | trans | -74.1 | 156.5 | 173.6 | -65.3 | -72.5 | 0 | 0 | 0 | 111.1 | V56 G60 E61 K79 A105 | V56-Y58 HydrophobicContact CG1-CE2 3.96Å; V56-Y58 HydrophobicContact CG2-CD2 4.48Å; V56-Y58 HydrophobicContact CG2-CE1 4.27Å; V56-Y58 HydrophobicContact CG2-CE2 4.1Å; Y58-G60 PolarHBondContact O-N 2.85Å; Y58-E61 PolarHBondContact O-N 2.72Å; Y58-K79 PolarHBondContact OH-NZ 2.81Å; Y58-A105 HydrophobicContact CD1-CB 3.74Å; Y58-A105 HydrophobicContact CE1-CB 3.97Å; Y58-A105 HydrophobicContact CG-CB 4.42Å | ||
| 59 | P | 96.8 | Very high | 97.8 | Very high | 111 Ų | 111 | 54 Ų | 54 | 72% | 0.721 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 125.3 | 178.1 | -27.1 | 35.5 | 0 | 0 | 0 | 112.6 | E61 | P59-E61 VanDerWaalsContact C-N 3.27Å; P59-E61 PolarHBondContact O-N 2.95Å |
| 60 | G | 97.6 | Very high | 98 | Very high | 91 Ų | 91 | 50.5 Ų | 50.5 | 94% | 0.938 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | -0.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y58 | Y58-G60 PolarHBondContact O-N 2.85Š|
| 61 | E | 97.2 | Very high | 98.1 | Very high | 92 Ų | 92 | 57 Ų | 57 | 43% | 0.43 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -107 | 165.9 | 178.5 | -61.7 | -174.6 | -157.3 | 0 | 0 | 112.1 | Q57 Y58 P59 Q64 | Q57-E61 VanDerWaalsContact CG-O 3.28Å; Q57-E61 WeakPolarHBondContact CG-O 3.39Å; Q57-E61 PolarHBondContact NE2-O 3.09Å; Y58-E61 PolarHBondContact O-N 2.72Å; P59-E61 VanDerWaalsContact C-N 3.27Å; P59-E61 PolarHBondContact O-N 2.95Å; E61-Q64 PolarHBondContact OE2-NE2 2.71Å |
| 62 | G | 97.5 | Very high | 98 | Very high | 43 Ų | 43 | 57.4 Ų | 57.4 | 44% | 0.443 | 32% | 0.322 | S | S | . | . | trans | -82.9 | 163.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q64 | G62-Q64 PolarHBondContact O-N 2.92Š| ||
| 63 | P | 98 | Very high | 97.9 | Very high | 79 Ų | 79 | 63.6 Ų | 63.6 | 51% | 0.513 | 36% | 0.355 | S | S | . | . | trans | -58.8 | 131.3 | 173.9 | -22.7 | 33.6 | 0 | 0 | 0 | 112 | Y55 | Y55-P63 HydrophobicContact CD1-CB 4.45Š| ||
| 64 | Q | 98.3 | Very high | 97.9 | Very high | 89 Ų | 89 | 64.3 Ų | 64.3 | 42% | 0.416 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 144.9 | 178.8 | -66.4 | 171.3 | 10.2 | 0 | 0 | 109.9 | Y55 V56 E61 G62 H66 | Y55-Q64 CarbonylContact C-O 3.59Å; Y55-Q64 WeakPolarHBondContact CA-O 3.45Å; V56-Q64 HydrophobicContact CG1-CB 4.46Å; V56-Q64 PolarHBondContact N-O 3.36Å; V56-Q64 PolarHBondContact O-N 2.82Å; E61-Q64 PolarHBondContact OE2-NE2 2.71Å; G62-Q64 PolarHBondContact O-N 2.92Å; Q64-H66 PolarHBondContact O-N 2.84Å |
| 65 | L | 98.5 | Very high | 97.9 | Very high | 85 Ų | 85 | 67.9 Ų | 67.9 | 45% | 0.445 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 120 | 176 | -179.8 | 65.3 | 0 | 0 | 0 | 110 | F53 Y55 L67 K68 | F53-L65 HydrophobicContact CB-CD1 4.23Å; F53-L65 HydrophobicContact CD1-CD1 3.82Å; F53-L65 HydrophobicContact CG-CD1 4.49Å; Y55-L65 HydrophobicContact CE1-CB 4.27Å; Y55-L65 HydrophobicContact CE1-CD1 4.37Å; L65-L67 WeakPolarHBondContact CD1-O 3.44Å; L65-K68 HydrophobicContact CD1-CB 4.44Å; L65-K68 HydrophobicContact CD2-CD 4.28Å |
| 66 | H | 98.3 | Very high | 97.9 | Very high | 8 Ų | 8 | 64.3 Ų | 64.3 | 4% | 0.037 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | -53.9 | -179.9 | -169.8 | 58 | 0 | 0 | 0 | 111.9 | W54 V56 Q64 N78 F81 Y107 | W54-H66 HydrophobicContact CB-CB 4.43Å; W54-H66 WeakPolarHBondContact O-CA 3.19Å; W54-H66 VanDerWaalsContact O-CB 3.29Å; W54-H66 WeakPolarHBondContact O-CB 3.27Å; W54-H66 PolarHBondContact O-N 2.81Å; V56-H66 HydrophobicContact CB-CB 3.97Å; V56-H66 HydrophobicContact CG1-CB 3.83Å; Q64-H66 PolarHBondContact O-N 2.84Å; H66-N78 VanDerWaalsContact O-CB 3.25Å; H66-N78 WeakPolarHBondContact O-CB 3.18Å; H66-N78 PolarHBondContact O-ND2 3.18Å; H66-F81 AromaticContact CE1-CD2 3.79Å; H66-F81 WeakPolarHBondContact NE2-CB 2.97Å; H66-F81 AromaticContact NE2-CD2 3.25Å; H66-F81 WeakPolarHBondContact NE2-CD2 3.29Å; H66-F81 AromaticContact NE2-CG 3.43Å; H66-F81 WeakPolarHBondContact NE2-CG 3.25Å; H66-Y107 AromaticContact CD2-CE1 3.95Å |
| 67 | L | 98.5 | Very high | 97.8 | Very high | 6 Ų | 6 | 72.6 Ų | 72.6 | 3% | 0.031 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 154.9 | 177.5 | -55.2 | 175.4 | 0 | 0 | 0 | 110.4 | F53 W54 L65 N78 F81 A83 L94 | F53-L67 WeakPolarHBondContact CA-O 3.3Å; W54-L67 HydrophobicContact CB-CB 4.11Å; W54-L67 HydrophobicContact CB-CG 4.45Å; W54-L67 PolarHBondContact N-O 2.81Å; W54-L67 PolarHBondContact O-N 3.07Å; L65-L67 WeakPolarHBondContact CD1-O 3.44Å; L67-N78 HydrophobicContact CD2-CB 3.42Å; L67-N78 VanDerWaalsContact CD2-CB 3.42Å; L67-F81 HydrophobicContact CD1-CB 4.3Å; L67-A83 HydrophobicContact CD1-CB 3.72Å; L67-L94 HydrophobicContact CD1-CD1 3.31Å; L67-L94 HydrophobicContact CG-CD1 4.37Å |
| 68 | K | 98.3 | Very high | 97.8 | Very high | 116 Ų | 116 | 72.7 Ų | 72.7 | 50% | 0.504 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 152.6 | 169.3 | 63.8 | 174.5 | 179.8 | -177.6 | 0 | 111.8 | L52 F53 L65 M70 | L52-K68 CarbonylContact O-C 3.45Å; L52-K68 VanDerWaalsContact O-CA 3.27Å; L52-K68 WeakPolarHBondContact O-CA 3.21Å; F53-K68 HydrophobicContact CD1-CB 3.75Å; F53-K68 HydrophobicContact CE1-CB 4.03Å; L65-K68 HydrophobicContact CD1-CB 4.44Å; L65-K68 HydrophobicContact CD2-CD 4.28Å; K68-M70 HydrophobicContact CD-SD 4.31Å |
| 69 | A | 98.4 | Very high | 97.8 | Very high | 2 Ų | 2 | 76.9 Ų | 76.9 | 2% | 0.017 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 127.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | S51 L52 D74 Y85 F92 | S51-A69 WeakPolarHBondContact CA-O 3.18Å; L52-A69 PolarHBondContact N-O 2.9Å; L52-A69 PolarHBondContact O-N 2.81Å; A69-D74 HydrophobicContact CB-CB 3.78Å; A69-Y85 HydrophobicContact CB-CD1 4.05Å; A69-Y85 HydrophobicContact CB-CG 4.48Å; A69-F92 HydrophobicContact CB-CD2 4.36Å; A69-F92 HydrophobicContact CB-CE2 3.45Å; A69-F92 VanDerWaalsContact CB-CE2 3.45Å; A69-F92 HydrophobicContact CB-CZ 3.68Å |
| 70 | M | 97.7 | Very high | 97.8 | Very high | 104 Ų | 104 | 74.5 Ų | 74.5 | 51% | 0.512 | 41% | 0.411 | S | S | . | . | trans | -93.5 | -23.8 | -170.7 | -59.3 | -56.5 | -57.2 | 0 | 0 | 112.5 | S51 K68 D74 | S51-M70 VanDerWaalsContact OG-CE 3.3Å; S51-M70 WeakPolarHBondContact OG-CE 3.27Å; K68-M70 HydrophobicContact CD-SD 4.31Å; M70-D74 PolarHBondContact N-OD2 2.86Å | ||
| 71 | K | 97.1 | Very high | 97.9 | Very high | 140 Ų | 140 | 70.3 Ų | 70.3 | 61% | 0.609 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -149 | 164.8 | -179.2 | 58.7 | 178.5 | 179 | -175.2 | 0 | 111.3 | N73 D74 Y85 | K71-N73 PolarHBondContact O-N 2.82Å; K71-D74 WeakPolarHBondContact CE-OD1 3.47Å; K71-D74 VanDerWaalsContact CG-CG 3.45Å; K71-D74 VanDerWaalsContact CG-OD1 3.32Å; K71-D74 WeakPolarHBondContact CG-OD1 3.36Å; K71-D74 VanDerWaalsContact CG-OD2 3.31Å; K71-D74 WeakPolarHBondContact CG-OD2 3.5Å; K71-D74 PolarHBondContact N-OD2 3.19Å; K71-D74 VanDerWaalsContact N-OD2 3.1Å; K71-D74 WeakPolarHBondContact O-CB 3.43Å; K71-D74 PolarHBondContact O-N 2.9Å; K71-Y85 WeakPolarHBondContact O-CD1 3.25Å |
| 72 | A | 96.7 | Very high | 98 | Very high | 30 Ų | 30 | 68.3 Ų | 68.3 | 25% | 0.248 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 140.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D74 Y85 K87 | A72-D74 PolarHBondContact O-N 3.13Å; A72-Y85 HydrophobicContact CB-CD2 4.48Å; A72-Y85 HydrophobicContact CB-CE2 4.31Å; A72-K87 HydrophobicContact CB-CB 3.83Å; A72-K87 HydrophobicContact CB-CD 4.36Å |
| 73 | N | 97.2 | Very high | 98 | Very high | 130 Ų | 130 | 66.3 Ų | 66.3 | 70% | 0.695 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | 1.7 | -175.2 | -48.9 | -52.3 | 0 | 0 | 0 | 115.5 | K71 Y85 | K71-N73 PolarHBondContact O-N 2.82Å; N73-Y85 PolarHBondContact N-O 2.01Å |
| 74 | D | 98.2 | Very high | 98.1 | Very high | 46 Ų | 46 | 64.7 Ų | 64.7 | 25% | 0.246 | 32% | 0.323 | C | S | . | . | trans | -67 | 144.8 | 164.2 | -75.2 | -6.1 | 0 | 0 | 0 | 109.5 | A69 M70 K71 A72 Y85 | A69-D74 HydrophobicContact CB-CB 3.78Å; M70-D74 PolarHBondContact N-OD2 2.86Å; K71-D74 WeakPolarHBondContact CE-OD1 3.47Å; K71-D74 VanDerWaalsContact CG-CG 3.45Å; K71-D74 VanDerWaalsContact CG-OD1 3.32Å; K71-D74 WeakPolarHBondContact CG-OD1 3.36Å; K71-D74 VanDerWaalsContact CG-OD2 3.31Å; K71-D74 WeakPolarHBondContact CG-OD2 3.5Å; K71-D74 PolarHBondContact N-OD2 3.19Å; K71-D74 VanDerWaalsContact N-OD2 3.1Å; K71-D74 WeakPolarHBondContact O-CB 3.43Å; K71-D74 PolarHBondContact O-N 2.9Å; A72-D74 PolarHBondContact O-N 3.13Å; D74-Y85 WeakPolarHBondContact O-CB 3.36Å; D74-Y85 PolarHBondContact O-N 2.88Å | ||
| 75 | K | 98.3 | Very high | 98.1 | Very high | 75 Ų | 75 | 60.6 Ų | 60.6 | 33% | 0.326 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 120.6 | 174.4 | -177.1 | -179.6 | -79.8 | -151.2 | 0 | 109.7 | R77 E82 A83 M84 | K75-R77 HydrophobicContact CD-CG 4.28Å; K75-R77 HydrophobicContact CG-CG 4.23Å; K75-E82 HydrophobicContact CD-CB 4.35Å; K75-E82 WeakPolarHBondContact CD-OE2 3.26Å; K75-E82 HydrophobicContact CG-CB 4.48Å; K75-E82 IonicContact NZ-OE1 2.72Å; K75-E82 PolarHBondContact NZ-OE1 3.09Å; K75-E82 IonicContact NZ-OE2 3.06Å; K75-E82 PolarHBondContact NZ-OE2 2.8Å; K75-A83 CarbonylContact C-O 3.6Å; K75-A83 WeakPolarHBondContact CA-O 3.36Å; K75-M84 HydrophobicContact CB-CE 4.05Å; K75-M84 HydrophobicContact CB-SD 4.08Å; K75-M84 HydrophobicContact CD-CE 4.39Å; K75-M84 HydrophobicContact CG-CE 4.49Å |
| 76 | G | 98.1 | Very high | 98.1 | Very high | 6 Ų | 6 | 62.3 Ų | 62.3 | 6% | 0.062 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 139.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | E82 A83 | G76-E82 VanDerWaalsContact O-CA 3.24Å; G76-E82 WeakPolarHBondContact O-CA 3.37Å; G76-A83 PolarHBondContact N-O 3.45Å; G76-A83 PolarHBondContact O-N 3.05Å |
| 77 | R | 98.2 | Very high | 98 | Very high | 177 Ų | 177 | 66.2 Ų | 66.2 | 67% | 0.668 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 135.1 | 171.6 | -66.5 | -173.6 | 170.6 | 144.5 | -6.9 | 111.8 | K75 F81 E82 | K75-R77 HydrophobicContact CD-CG 4.28Å; K75-R77 HydrophobicContact CG-CG 4.23Å; R77-F81 VanDerWaalsContact CA-O 3.32Å; R77-F81 WeakPolarHBondContact CA-O 3.04Å; R77-E82 HydrophobicContact CG-CB 3.94Å; R77-E82 IonicContact CZ-OE2 3.64Å; R77-E82 IonicContact NE-OE2 3.09Å; R77-E82 PolarHBondContact NE-OE2 3.32Å; R77-E82 VanDerWaalsContact NE-OE2 3.09Å; R77-E82 IonicContact NH2-OE2 3.24Å; R77-E82 PolarHBondContact NH2-OE2 2.85Å |
| 78 | N | 98.2 | Very high | 97.9 | Very high | 62 Ų | 62 | 74.5 Ų | 74.5 | 33% | 0.332 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.2 | 136.7 | 175.9 | -169.5 | 13.8 | 0 | 0 | 0 | 110.5 | H66 L67 G80 F81 | H66-N78 VanDerWaalsContact O-CB 3.25Å; H66-N78 WeakPolarHBondContact O-CB 3.18Å; H66-N78 PolarHBondContact O-ND2 3.18Å; L67-N78 HydrophobicContact CD2-CB 3.42Å; L67-N78 VanDerWaalsContact CD2-CB 3.42Å; N78-G80 PolarHBondContact O-N 3.49Å; N78-F81 PolarHBondContact N-O 2.98Å; N78-F81 WeakPolarHBondContact O-CA 3.26Å; N78-F81 WeakPolarHBondContact O-CB 3.37Å; N78-F81 PolarHBondContact O-N 2.85Å |
| 79 | K | 96.8 | Very high | 97.8 | Very high | 123 Ų | 123 | 73 Ų | 73 | 54% | 0.535 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.4 | 37.6 | 177.9 | -59.3 | -173.8 | -178 | -179.2 | 0 | 115.3 | Y58 F81 K96 | Y58-K79 PolarHBondContact OH-NZ 2.81Å; K79-F81 PolarHBondContact O-N 3.31Å; K79-K96 PolarHBondContact O-NZ 3.01Å; K79-K96 VanDerWaalsContact O-NZ 3.09Å |
| 80 | G | 97.7 | Very high | 97.8 | Very high | 61 Ų | 61 | 75.9 Ų | 75.9 | 63% | 0.629 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | -5.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | N78 | N78-G80 PolarHBondContact O-N 3.49Š|
| 81 | F | 98.7 | Very high | 97.8 | Very high | 3 Ų | 3 | 71 Ų | 71 | 1% | 0.013 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 147.5 | 167.5 | -68.6 | -90.6 | 0 | 0 | 0 | 111 | L38 H66 L67 R77 N78 K79 L94 E95 K96 D103 Y107 | L38-F81 HydrophobicContact CD2-CE1 4.2Å; H66-F81 AromaticContact CE1-CD2 3.79Å; H66-F81 WeakPolarHBondContact NE2-CB 2.97Å; H66-F81 AromaticContact NE2-CD2 3.25Å; H66-F81 WeakPolarHBondContact NE2-CD2 3.29Å; H66-F81 AromaticContact NE2-CG 3.43Å; H66-F81 WeakPolarHBondContact NE2-CG 3.25Å; L67-F81 HydrophobicContact CD1-CB 4.3Å; R77-F81 VanDerWaalsContact CA-O 3.32Å; R77-F81 WeakPolarHBondContact CA-O 3.04Å; N78-F81 PolarHBondContact N-O 2.98Å; N78-F81 WeakPolarHBondContact O-CA 3.26Å; N78-F81 WeakPolarHBondContact O-CB 3.37Å; N78-F81 PolarHBondContact O-N 2.85Å; K79-F81 PolarHBondContact O-N 3.31Å; F81-L94 HydrophobicContact CB-CD1 3.92Å; F81-L94 HydrophobicContact CD1-CD1 3.82Å; F81-L94 HydrophobicContact CD1-CD2 3.98Å; F81-L94 HydrophobicContact CD1-CG 3.73Å; F81-L94 HydrophobicContact CE1-CD2 4.14Å; F81-L94 HydrophobicContact CE1-CG 4.32Å; F81-L94 HydrophobicContact CG-CD1 4.21Å; F81-E95 CarbonylContact C-O 3.59Å; F81-E95 VanDerWaalsContact CA-O 3.27Å; F81-E95 WeakPolarHBondContact CA-O 3.2Å; F81-K96 HydrophobicContact CD1-CB 3.65Å; F81-K96 HydrophobicContact CD1-CD 3.94Å; F81-K96 HydrophobicContact CD1-CG 4.39Å; F81-K96 HydrophobicContact CD2-CD 3.8Å; F81-K96 HydrophobicContact CE1-CB 3.76Å; F81-K96 HydrophobicContact CE1-CD 3.66Å; F81-K96 HydrophobicContact CE1-CG 4.36Å; F81-K96 HydrophobicContact CE2-CD 3.51Å; F81-K96 HydrophobicContact CG-CB 4.25Å; F81-K96 HydrophobicContact CG-CD 4.01Å; F81-K96 HydrophobicContact CZ-CB 4.42Å; F81-K96 HydrophobicContact CZ-CD 3.43Å; F81-K96 VanDerWaalsContact CZ-CD 3.43Å; F81-D103 HydrophobicContact CE2-CB 4.32Å; F81-D103 WeakPolarHBondContact CE2-OD1 3.27Å; F81-D103 HydrophobicContact CZ-CB 3.98Å; F81-Y107 HydrophobicContact CE1-CE1 4.42Å; F81-Y107 WeakPolarHBondContact CE2-OH 3.03Å; F81-Y107 HydrophobicContact CZ-CE1 4.27Å; F81-Y107 AromaticContact CZ-CZ 3.83Å; F81-Y107 WeakPolarHBondContact CZ-OH 3.31Å |
| 82 | E | 98.7 | Very high | 97.9 | Very high | 50 Ų | 50 | 64.4 Ų | 64.4 | 23% | 0.234 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 154.9 | 167.5 | 62.5 | 172.4 | -136.9 | 0 | 0 | 112.8 | K75 G76 R77 E95 | K75-E82 HydrophobicContact CD-CB 4.35Å; K75-E82 WeakPolarHBondContact CD-OE2 3.26Å; K75-E82 HydrophobicContact CG-CB 4.48Å; K75-E82 IonicContact NZ-OE1 2.72Å; K75-E82 PolarHBondContact NZ-OE1 3.09Å; K75-E82 IonicContact NZ-OE2 3.06Å; K75-E82 PolarHBondContact NZ-OE2 2.8Å; G76-E82 VanDerWaalsContact O-CA 3.24Å; G76-E82 WeakPolarHBondContact O-CA 3.37Å; R77-E82 HydrophobicContact CG-CB 3.94Å; R77-E82 IonicContact CZ-OE2 3.64Å; R77-E82 IonicContact NE-OE2 3.09Å; R77-E82 PolarHBondContact NE-OE2 3.32Å; R77-E82 VanDerWaalsContact NE-OE2 3.09Å; R77-E82 IonicContact NH2-OE2 3.24Å; R77-E82 PolarHBondContact NH2-OE2 2.85Å; E82-E95 HydrophobicContact CG-CB 4.33Å; E82-E95 PolarHBondContact N-O 3.1Å; E82-E95 PolarHBondContact O-N 3.36Å |
| 83 | A | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.008 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 127 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | L67 K75 G76 F92 H93 | L67-A83 HydrophobicContact CD1-CB 3.72Å; K75-A83 CarbonylContact C-O 3.6Å; K75-A83 WeakPolarHBondContact CA-O 3.36Å; G76-A83 PolarHBondContact N-O 3.45Å; G76-A83 PolarHBondContact O-N 3.05Å; A83-F92 HydrophobicContact CB-CD1 4.18Å; A83-F92 HydrophobicContact CB-CD2 3.85Å; A83-F92 HydrophobicContact CB-CE1 3.89Å; A83-F92 HydrophobicContact CB-CE2 3.52Å; A83-F92 HydrophobicContact CB-CG 4.17Å; A83-F92 HydrophobicContact CB-CZ 3.54Å; A83-F92 VanDerWaalsContact O-CE2 3.27Å; A83-F92 WeakPolarHBondContact O-CE2 3.41Å; A83-H93 WeakPolarHBondContact CA-O 3.32Å; A83-H93 WeakPolarHBondContact CB-O 3.33Å |
| 84 | M | 98.6 | Very high | 98 | Very high | 45 Ų | 45 | 59.1 Ų | 59.1 | 22% | 0.222 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 126.7 | 179.4 | 179.6 | 62.5 | 84.4 | 0 | 0 | 110.2 | K75 R86 | K75-M84 HydrophobicContact CB-CE 4.05Å; K75-M84 HydrophobicContact CB-SD 4.08Å; K75-M84 HydrophobicContact CD-CE 4.39Å; K75-M84 HydrophobicContact CG-CE 4.49Å; M84-R86 HydrophobicContact CB-CG 4.27Å; M84-R86 HydrophobicContact CG-CG 3.75Å; M84-R86 PolarHBondContact O-N 2.92Å; M84-R86 VanDerWaalsContact O-N 3.1Å |
| 85 | Y | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.008 | 29% | 0.291 | C | S | . | . | trans | -75.4 | 100.6 | 170.9 | -175.7 | 161.9 | 0 | 0 | 0 | 109.5 | Y44 P50 L52 A69 K71 A72 N73 D74 K87 | Y44-Y85 HydrophobicContact CE1-CD2 4.5Å; Y44-Y85 HydrophobicContact CE1-CE2 4.13Å; Y44-Y85 AromaticContact CZ-CE2 3.98Å; Y44-Y85 WeakPolarHBondContact OH-CE2 3.09Å; P50-Y85 WeakPolarHBondContact CD-OH 3.3Å; P50-Y85 WeakPolarHBondContact O-CE1 3.36Å; P50-Y85 PolarHBondContact O-OH 2.79Å; L52-Y85 HydrophobicContact CD1-CD1 3.7Å; L52-Y85 HydrophobicContact CD1-CD2 3.58Å; L52-Y85 HydrophobicContact CD1-CE1 3.9Å; L52-Y85 HydrophobicContact CD1-CE2 3.81Å; L52-Y85 HydrophobicContact CD1-CG 3.55Å; L52-Y85 HydrophobicContact CG-CD1 4.12Å; L52-Y85 HydrophobicContact CG-CE1 4.1Å; L52-Y85 HydrophobicContact CG-CG 4.45Å; A69-Y85 HydrophobicContact CB-CD1 4.05Å; A69-Y85 HydrophobicContact CB-CG 4.48Å; K71-Y85 WeakPolarHBondContact O-CD1 3.25Å; A72-Y85 HydrophobicContact CB-CD2 4.48Å; A72-Y85 HydrophobicContact CB-CE2 4.31Å; N73-Y85 PolarHBondContact N-O 2.01Å; D74-Y85 WeakPolarHBondContact O-CB 3.36Å; D74-Y85 PolarHBondContact O-N 2.88Å; Y85-K87 HydrophobicContact CE2-CB 4.29Å | ||
| 86 | R | 98.3 | Very high | 98.1 | Very high | 122 Ų | 122 | 56.5 Ų | 56.5 | 46% | 0.46 | 28% | 0.279 | S | S | . | . | B | Isolated β-bridge | trans | -101.4 | 100.9 | 176.6 | -60.5 | -179.3 | -178 | -84.2 | 2 | 110.8 | M84 T89 T90 S91 | M84-R86 HydrophobicContact CB-CG 4.27Å; M84-R86 HydrophobicContact CG-CG 3.75Å; M84-R86 PolarHBondContact O-N 2.92Å; M84-R86 VanDerWaalsContact O-N 3.1Å; R86-T89 WeakPolarHBondContact CB-OG1 3.28Å; R86-T90 WeakPolarHBondContact O-CA 3.41Å; R86-T90 PolarHBondContact O-N 2.93Å; R86-T90 VanDerWaalsContact O-N 3.08Å; R86-S91 PolarHBondContact N-O 2.63Å; R86-S91 PolarHBondContact O-N 2.92Å |
| 87 | K | 96.6 | Very high | 98.1 | Very high | 89 Ų | 89 | 63 Ų | 63 | 39% | 0.387 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -42.4 | 179.6 | -172 | -169.3 | 176.5 | -158.2 | 0 | 112.8 | Y49 A72 Y85 T89 T90 | Y49-K87 HydrophobicContact CE1-CD 4.31Å; Y49-K87 VanDerWaalsContact CE1-CE 3.5Å; A72-K87 HydrophobicContact CB-CB 3.83Å; A72-K87 HydrophobicContact CB-CD 4.36Å; Y85-K87 HydrophobicContact CE2-CB 4.29Å; K87-T89 VanDerWaalsContact C-N 3.29Å; K87-T89 PolarHBondContact O-N 2.92Å; K87-T90 PolarHBondContact O-N 2.94Å; K87-T90 VanDerWaalsContact O-N 3.14Å |
| 88 | E | 95.9 | Very high | 98.1 | Very high | 180 Ų | 180 | 57.2 Ų | 57.2 | 84% | 0.841 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -34.3 | -175.2 | -58.3 | -58.9 | 162.1 | 0 | 0 | 113.1 | ||
| 89 | T | 97.2 | Very high | 98.1 | Very high | 85 Ų | 85 | 54.7 Ų | 54.7 | 52% | 0.521 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 9.1 | 178 | 55.9 | 0 | 0 | 0 | 0 | 112.6 | R86 K87 S91 | R86-T89 WeakPolarHBondContact CB-OG1 3.28Å; K87-T89 VanDerWaalsContact C-N 3.29Å; K87-T89 PolarHBondContact O-N 2.92Å; T89-S91 VanDerWaalsContact C-N 3.26Å; T89-S91 PolarHBondContact O-N 3.06Å; T89-S91 VanDerWaalsContact O-N 3.17Å; T89-S91 PolarHBondContact OG1-OG 2.84Å |
| 90 | T | 97.6 | Very high | 98.1 | Very high | 62 Ų | 62 | 53.7 Ų | 53.7 | 38% | 0.38 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 41.8 | 50.1 | -175.3 | 60.2 | 0 | 0 | 0 | 0 | 113.5 | S43 Y44 R86 K87 | S43-T90 CarbonylContact C-O 3.58Å; S43-T90 WeakPolarHBondContact CA-O 3.36Å; Y44-T90 VanDerWaalsContact CD1-C 3.48Å; Y44-T90 VanDerWaalsContact CD1-O 3.26Å; Y44-T90 WeakPolarHBondContact CD1-O 3.27Å; Y44-T90 HydrophobicContact CE2-CG2 4.21Å; Y44-T90 PolarHBondContact N-O 2.92Å; Y44-T90 WeakPolarHBondContact O-CB 3.2Å; Y44-T90 PolarHBondContact O-OG1 2.78Å; R86-T90 WeakPolarHBondContact O-CA 3.41Å; R86-T90 PolarHBondContact O-N 2.93Å; R86-T90 VanDerWaalsContact O-N 3.08Å; K87-T90 PolarHBondContact O-N 2.94Å; K87-T90 VanDerWaalsContact O-N 3.14Å |
| 91 | S | 98.3 | Very high | 98 | Very high | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -134.1 | 154.9 | -171 | 70.2 | 0 | 0 | 0 | 0 | 116 | C42 R86 T89 H93 | C42-S91 WeakPolarHBondContact O-CA 3.04Å; C42-S91 WeakPolarHBondContact O-CB 3.24Å; R86-S91 PolarHBondContact N-O 2.63Å; R86-S91 PolarHBondContact O-N 2.92Å; T89-S91 VanDerWaalsContact C-N 3.26Å; T89-S91 PolarHBondContact O-N 3.06Å; T89-S91 VanDerWaalsContact O-N 3.17Å; T89-S91 PolarHBondContact OG1-OG 2.84Å; S91-H93 WeakPolarHBondContact CB-CE1 3.42Å |
| 92 | F | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | trans | -146.8 | 57.9 | 177.3 | -165.9 | -125.5 | 0 | 0 | 0 | 110.6 | C42 L52 W54 A69 A83 | C42-F92 PolarHBondContact O-N 3.24Å; L52-F92 HydrophobicContact CB-CB 4.19Å; L52-F92 HydrophobicContact CB-CD1 3.62Å; L52-F92 HydrophobicContact CB-CD2 4.18Å; L52-F92 HydrophobicContact CB-CE1 3.95Å; L52-F92 HydrophobicContact CB-CE2 4.49Å; L52-F92 HydrophobicContact CB-CG 3.75Å; L52-F92 HydrophobicContact CB-CZ 4.38Å; L52-F92 HydrophobicContact CD1-CB 3.71Å; L52-F92 HydrophobicContact CD1-CD2 4.24Å; L52-F92 HydrophobicContact CD1-CG 4.01Å; L52-F92 HydrophobicContact CG-CB 4.47Å; L52-F92 HydrophobicContact CG-CG 4.49Å; W54-F92 AromaticContact CD1-CD1 3.48Å; W54-F92 VanDerWaalsContact CD1-CD1 3.48Å; W54-F92 AromaticContact CD1-CE1 3.41Å; W54-F92 VanDerWaalsContact CD1-CE1 3.41Å; W54-F92 HydrophobicContact CG-CE1 4.4Å; W54-F92 AromaticContact NE1-CD1 3.55Å; W54-F92 AromaticContact NE1-CE1 3.98Å; W54-F92 PolarHBondContact NE1-O 3.06Å; A69-F92 HydrophobicContact CB-CD2 4.36Å; A69-F92 HydrophobicContact CB-CE2 3.45Å; A69-F92 VanDerWaalsContact CB-CE2 3.45Å; A69-F92 HydrophobicContact CB-CZ 3.68Å; A83-F92 HydrophobicContact CB-CD1 4.18Å; A83-F92 HydrophobicContact CB-CD2 3.85Å; A83-F92 HydrophobicContact CB-CE1 3.89Å; A83-F92 HydrophobicContact CB-CE2 3.52Å; A83-F92 HydrophobicContact CB-CG 4.17Å; A83-F92 HydrophobicContact CB-CZ 3.54Å; A83-F92 VanDerWaalsContact O-CE2 3.27Å; A83-F92 WeakPolarHBondContact O-CE2 3.41Å | ||
| 93 | H | 98.7 | Very high | 97.9 | Very high | 50 Ų | 50 | 60.5 Ų | 60.5 | 23% | 0.231 | 31% | 0.308 | C | S | . | . | trans | -63.5 | 139.5 | -177.3 | -53.4 | -24.7 | 0 | 0 | 0 | 111.2 | I39 V40 C42 A83 S91 | I39-H93 HydrophobicContact CG2-CB 4.28Å; V40-H93 WeakPolarHBondContact O-CA 3.41Å; C42-H93 PolarHBondContact N-ND1 3.09Å; C42-H93 PolarHBondContact O-CE1 2.88Å; C42-H93 VanDerWaalsContact O-CE1 3.31Å; C42-H93 PolarHBondContact O-ND1 2.72Å; A83-H93 WeakPolarHBondContact CA-O 3.32Å; A83-H93 WeakPolarHBondContact CB-O 3.33Å; S91-H93 WeakPolarHBondContact CB-CE1 3.42Å | ||
| 94 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 122.9 | 174.3 | -175.7 | 69.2 | 0 | 0 | 0 | 108.7 | I39 V40 W54 L67 F81 Y107 | I39-L94 CarbonylContact C-O 3.53Å; I39-L94 WeakPolarHBondContact CA-O 3.45Å; V40-L94 HydrophobicContact CB-CB 4.19Å; V40-L94 PolarHBondContact N-O 2.75Å; V40-L94 PolarHBondContact O-N 3.03Å; W54-L94 HydrophobicContact CD2-CB 4.02Å; W54-L94 HydrophobicContact CD2-CD1 4.4Å; W54-L94 HydrophobicContact CD2-CD2 4.24Å; W54-L94 HydrophobicContact CD2-CG 4.47Å; W54-L94 HydrophobicContact CE3-CD2 4.23Å; W54-L94 HydrophobicContact CG-CB 4.44Å; W54-L94 HydrophobicContact CG-CD1 4.08Å; W54-L94 HydrophobicContact CH2-CB 4.28Å; W54-L94 HydrophobicContact CZ2-CB 3.68Å; L67-L94 HydrophobicContact CD1-CD1 3.31Å; L67-L94 HydrophobicContact CG-CD1 4.37Å; F81-L94 HydrophobicContact CB-CD1 3.92Å; F81-L94 HydrophobicContact CD1-CD1 3.82Å; F81-L94 HydrophobicContact CD1-CD2 3.98Å; F81-L94 HydrophobicContact CD1-CG 3.73Å; F81-L94 HydrophobicContact CE1-CD2 4.14Å; F81-L94 HydrophobicContact CE1-CG 4.32Å; F81-L94 HydrophobicContact CG-CD1 4.21Å; L94-Y107 HydrophobicContact CD2-CD1 3.42Å; L94-Y107 VanDerWaalsContact CD2-CD1 3.42Å; L94-Y107 HydrophobicContact CD2-CE1 3.85Å; L94-Y107 HydrophobicContact CD2-CG 3.91Å |
| 95 | E | 98.6 | Very high | 97.7 | Very high | 51 Ų | 51 | 63.6 Ų | 63.6 | 24% | 0.238 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 143.7 | -174.7 | -60.5 | 176 | -156.4 | 0 | 0 | 110 | L38 I39 F81 E82 | L38-E95 CarbonylContact O-C 3.54Å; L38-E95 WeakPolarHBondContact O-CA 3.33Å; I39-E95 HydrophobicContact CG1-CG 4.23Å; I39-E95 HydrophobicContact CG2-CG 4.31Å; F81-E95 CarbonylContact C-O 3.59Å; F81-E95 VanDerWaalsContact CA-O 3.27Å; F81-E95 WeakPolarHBondContact CA-O 3.2Å; E82-E95 HydrophobicContact CG-CB 4.33Å; E82-E95 PolarHBondContact N-O 3.1Å; E82-E95 PolarHBondContact O-N 3.36Å |
| 96 | K | 98.5 | Very high | 97.7 | Very high | 14 Ų | 14 | 67.1 Ų | 67.1 | 6% | 0.061 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 129.5 | 171 | 179.6 | 161.3 | -177.3 | 160.7 | 0 | 110 | S37 L38 K79 F81 S98 D103 | S37-K96 CarbonylContact C-O 3.51Å; S37-K96 WeakPolarHBondContact CA-O 3.36Å; L38-K96 PolarHBondContact N-O 2.9Å; L38-K96 PolarHBondContact O-N 3.39Å; K79-K96 PolarHBondContact O-NZ 3.01Å; K79-K96 VanDerWaalsContact O-NZ 3.09Å; F81-K96 HydrophobicContact CD1-CB 3.65Å; F81-K96 HydrophobicContact CD1-CD 3.94Å; F81-K96 HydrophobicContact CD1-CG 4.39Å; F81-K96 HydrophobicContact CD2-CD 3.8Å; F81-K96 HydrophobicContact CE1-CB 3.76Å; F81-K96 HydrophobicContact CE1-CD 3.66Å; F81-K96 HydrophobicContact CE1-CG 4.36Å; F81-K96 HydrophobicContact CE2-CD 3.51Å; F81-K96 HydrophobicContact CG-CB 4.25Å; F81-K96 HydrophobicContact CG-CD 4.01Å; F81-K96 HydrophobicContact CZ-CB 4.42Å; F81-K96 HydrophobicContact CZ-CD 3.43Å; F81-K96 VanDerWaalsContact CZ-CD 3.43Å; K96-S98 WeakPolarHBondContact CE-O 3.49Å; K96-S98 PolarHBondContact O-N 3.08Å; K96-D103 WeakPolarHBondContact CE-OD2 3.19Å; K96-D103 IonicContact NZ-OD1 2.72Å; K96-D103 PolarHBondContact NZ-OD1 3.02Å; K96-D103 IonicContact NZ-OD2 2.71Å; K96-D103 PolarHBondContact NZ-OD2 3.02Å |
| 97 | D | 98.3 | Very high | 97.7 | Very high | 142 Ų | 142 | 62.6 Ų | 62.6 | 76% | 0.759 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -71.3 | -31.5 | -174.1 | -66.6 | -25 | 0 | 0 | 0 | 113.9 | S37 | S37-D97 WeakPolarHBondContact CA-O 3.26Å; S37-D97 PolarHBondContact N-O 3.14Å |
| 98 | S | 98.2 | Very high | 97.8 | Very high | 57 Ų | 57 | 62 Ų | 62 | 40% | 0.399 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -145.7 | 105.6 | -178.1 | 172.3 | 0 | 0 | 0 | 0 | 109 | D36 K96 | D36-S98 WeakPolarHBondContact O-CA 3.48Å; K96-S98 WeakPolarHBondContact CE-O 3.49Å; K96-S98 PolarHBondContact O-N 3.08Å |
| 99 | V | 98.1 | Very high | 97.9 | Very high | 8 Ų | 8 | 53.9 Ų | 53.9 | 5% | 0.048 | 30% | 0.301 | C | S | . | . | trans | -72.9 | 152.3 | 175.1 | -63.2 | 0 | 0 | 0 | 0 | 112.1 | P32 S33 G35 D36 L38 | P32-V99 HydrophobicContact CB-CG2 3.91Å; P32-V99 HydrophobicContact CG-CB 4.31Å; P32-V99 HydrophobicContact CG-CG1 4.03Å; P32-V99 HydrophobicContact CG-CG2 3.79Å; S33-V99 WeakPolarHBondContact O-CG2 3.24Å; G35-V99 PolarHBondContact N-O 3.31Å; D36-V99 HydrophobicContact CB-CG2 4.44Å; D36-V99 WeakPolarHBondContact O-CG2 3.44Å; D36-V99 PolarHBondContact O-N 2.79Å; L38-V99 HydrophobicContact CB-CG1 3.41Å; L38-V99 VanDerWaalsContact CB-CG1 3.41Å; L38-V99 HydrophobicContact CD2-CG1 3.87Å; L38-V99 HydrophobicContact CG-CG1 4.26Å | ||
| 100 | Q | 97.8 | Very high | 97.9 | Very high | 102 Ų | 102 | 51.2 Ų | 51.2 | 48% | 0.477 | 29% | 0.288 | S | S | . | . | trans | -130.1 | 158.1 | 176.2 | -61.2 | 174.2 | 24.6 | 0 | 0 | 109.6 | S102 D103 | Q100-S102 PolarHBondContact O-N 3.17Å; Q100-S102 VanDerWaalsContact O-N 3.12Å; Q100-D103 PolarHBondContact N-OD2 2.88Å; Q100-D103 VanDerWaalsContact O-CB 3.24Å; Q100-D103 WeakPolarHBondContact O-CB 3.35Å; Q100-D103 PolarHBondContact O-N 2.9Å | ||
| 101 | E | 96.3 | Very high | 97.9 | Very high | 160 Ų | 160 | 49.9 Ų | 49.9 | 75% | 0.748 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -54.3 | -36 | 177.5 | -171 | -176.4 | 179.2 | 0 | 0 | 112.3 | D103 S104 | E101-D103 PolarHBondContact O-N 2.95Å; E101-D103 VanDerWaalsContact O-N 3.11Å; E101-S104 VanDerWaalsContact O-CB 3.25Å; E101-S104 WeakPolarHBondContact O-CB 3.34Å; E101-S104 PolarHBondContact O-N 3.14Å; E101-S104 PolarHBondContact O-OG 2.77Å |
| 102 | S | 96.4 | Very high | 97.7 | Very high | 82 Ų | 82 | 55 Ų | 55 | 57% | 0.573 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -65.1 | -9.9 | 177.3 | 70.2 | 0 | 0 | 0 | 0 | 115.2 | Q100 S104 | Q100-S102 PolarHBondContact O-N 3.17Å; Q100-S102 VanDerWaalsContact O-N 3.12Å; S102-S104 VanDerWaalsContact C-N 3.28Å |
| 103 | D | 97.7 | Very high | 97.7 | Very high | 16 Ų | 16 | 57.8 Ų | 57.8 | 9% | 0.086 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -83.4 | -4.5 | 173.3 | -62.1 | -42.1 | 0 | 0 | 0 | 113 | F81 K96 Q100 E101 A105 Y107 | F81-D103 HydrophobicContact CE2-CB 4.32Å; F81-D103 WeakPolarHBondContact CE2-OD1 3.27Å; F81-D103 HydrophobicContact CZ-CB 3.98Å; K96-D103 WeakPolarHBondContact CE-OD2 3.19Å; K96-D103 IonicContact NZ-OD1 2.72Å; K96-D103 PolarHBondContact NZ-OD1 3.02Å; K96-D103 IonicContact NZ-OD2 2.71Å; K96-D103 PolarHBondContact NZ-OD2 3.02Å; Q100-D103 PolarHBondContact N-OD2 2.88Å; Q100-D103 VanDerWaalsContact O-CB 3.24Å; Q100-D103 WeakPolarHBondContact O-CB 3.35Å; Q100-D103 PolarHBondContact O-N 2.9Å; E101-D103 PolarHBondContact O-N 2.95Å; E101-D103 VanDerWaalsContact O-N 3.11Å; D103-A105 PolarHBondContact O-N 2.93Å; D103-Y107 WeakPolarHBondContact O-CE2 3.31Å; D103-Y107 PolarHBondContact O-OH 2.88Å |
| 104 | S | 97 | Very high | 97.6 | Very high | 80 Ų | 80 | 58.2 Ų | 58.2 | 56% | 0.559 | 34% | 0.335 | S | S | * | . | trans | -63.4 | 102.8 | -179.8 | -60.1 | 0 | 0 | 0 | 0 | 111.5 | E101 S102 | E101-S104 VanDerWaalsContact O-CB 3.25Å; E101-S104 WeakPolarHBondContact O-CB 3.34Å; E101-S104 PolarHBondContact O-N 3.14Å; E101-S104 PolarHBondContact O-OG 2.77Å; S102-S104 VanDerWaalsContact C-N 3.28Å | ||
| 105 | A | 97.5 | Very high | 97.6 | Very high | 31 Ų | 31 | 61.4 Ų | 61.4 | 26% | 0.256 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -160.1 | 172.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | V56 Q57 Y58 D103 Y107 | V56-A105 HydrophobicContact CG2-CB 3.49Å; V56-A105 VanDerWaalsContact CG2-CB 3.49Å; Q57-A105 WeakPolarHBondContact O-CB 3.47Å; Y58-A105 HydrophobicContact CD1-CB 3.74Å; Y58-A105 HydrophobicContact CE1-CB 3.97Å; Y58-A105 HydrophobicContact CG-CB 4.42Å; D103-A105 PolarHBondContact O-N 2.93Å; A105-Y107 HydrophobicContact CB-CD2 4.39Å; A105-Y107 HydrophobicContact CB-CE2 3.83Å |
| 106 | V | 97.7 | Very high | 97.5 | Very high | 76 Ų | 76 | 62.1 Ų | 62.1 | 46% | 0.461 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 132.6 | 167.3 | -172.3 | 0 | 0 | 0 | 0 | 108.9 | V56 Q57 F108 | V56-V106 CarbonylContact C-O 3.53Å; V56-V106 WeakPolarHBondContact CA-O 3.18Å; Q57-V106 HydrophobicContact CB-CB 4.38Å; Q57-V106 PolarHBondContact N-O 3.03Å; Q57-V106 PolarHBondContact O-N 2.89Å; V106-F108 HydrophobicContact CB-CE2 4.03Å; V106-F108 HydrophobicContact CB-CZ 4.08Å; V106-F108 HydrophobicContact CG1-CD1 4.44Å; V106-F108 HydrophobicContact CG1-CD2 4.32Å; V106-F108 HydrophobicContact CG1-CE1 3.75Å; V106-F108 HydrophobicContact CG1-CE2 3.62Å; V106-F108 HydrophobicContact CG1-CZ 3.3Å |
| 107 | Y | 98.2 | Very high | 97.4 | Very high | 26 Ų | 26 | 65.1 Ų | 65.1 | 10% | 0.102 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 131.5 | 178.7 | -69.8 | -97.7 | 0 | 0 | 0 | 110.5 | Q25 Y55 V56 H66 F81 L94 D103 A105 | Q25-Y107 PolarHBondContact NE2-O 2.98Å; Y55-Y107 CarbonylContact O-C 3.49Å; Y55-Y107 WeakPolarHBondContact O-CA 3.07Å; V56-Y107 HydrophobicContact CB-CD1 4.08Å; V56-Y107 HydrophobicContact CB-CE1 3.88Å; V56-Y107 HydrophobicContact CG2-CD1 4.07Å; V56-Y107 HydrophobicContact CG2-CE1 3.62Å; V56-Y107 HydrophobicContact CG2-CE2 4.16Å; H66-Y107 AromaticContact CD2-CE1 3.95Å; F81-Y107 HydrophobicContact CE1-CE1 4.42Å; F81-Y107 WeakPolarHBondContact CE2-OH 3.03Å; F81-Y107 HydrophobicContact CZ-CE1 4.27Å; F81-Y107 AromaticContact CZ-CZ 3.83Å; F81-Y107 WeakPolarHBondContact CZ-OH 3.31Å; L94-Y107 HydrophobicContact CD2-CD1 3.42Å; L94-Y107 VanDerWaalsContact CD2-CD1 3.42Å; L94-Y107 HydrophobicContact CD2-CE1 3.85Å; L94-Y107 HydrophobicContact CD2-CG 3.91Å; D103-Y107 WeakPolarHBondContact O-CE2 3.31Å; D103-Y107 PolarHBondContact O-OH 2.88Å; A105-Y107 HydrophobicContact CB-CD2 4.39Å; A105-Y107 HydrophobicContact CB-CE2 3.83Å |
| 108 | F | 97.9 | Very high | 97.4 | Very high | 77 Ų | 77 | 59.9 Ų | 59.9 | 34% | 0.338 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 125.6 | -179.4 | -54.1 | -84.7 | 0 | 0 | 0 | 110.4 | W54 Y55 Q57 V106 | W54-F108 CarbonylContact C-O 3.54Å; W54-F108 WeakPolarHBondContact CA-O 3.3Å; Y55-F108 PolarHBondContact N-O 3.49Å; Y55-F108 PolarHBondContact O-N 3.29Å; Q57-F108 HydrophobicContact CB-CE2 3.86Å; V106-F108 HydrophobicContact CB-CE2 4.03Å; V106-F108 HydrophobicContact CB-CZ 4.08Å; V106-F108 HydrophobicContact CG1-CD1 4.44Å; V106-F108 HydrophobicContact CG1-CD2 4.32Å; V106-F108 HydrophobicContact CG1-CE1 3.75Å; V106-F108 HydrophobicContact CG1-CE2 3.62Å; V106-F108 HydrophobicContact CG1-CZ 3.3Å |
| 109 | C | 98.4 | Very high | 97.3 | Very high | 9 Ų | 9 | 60.1 Ų | 60.1 | 6% | 0.061 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 145.2 | 168.6 | -163.9 | 0 | 0 | 0 | 0 | 109.9 | C42 F53 W54 | C42-C109 HydrophobicContact CB-CB 3.57Å; C42-C109 WeakPolarHBondContact CB-SG 3.32Å; C42-C109 WeakPolarHBondContact SG-CB 3.42Å; C42-C109 CovalentContact SG-SG 2.01Å; C42-C109 PolarHBondContact SG-SG 2.9Å; F53-C109 WeakPolarHBondContact O-CA 3.16Å; W54-C109 HydrophobicContact CD2-CB 4.26Å; W54-C109 HydrophobicContact CE3-CB 4.15Å; W54-C109 HydrophobicContact CH2-CB 3.76Å; W54-C109 HydrophobicContact CZ2-CB 3.86Å; W54-C109 HydrophobicContact CZ3-CB 3.9Å |
| 110 | A | 98 | Very high | 97.3 | Very high | 29 Ų | 29 | 64.2 Ų | 64.2 | 24% | 0.24 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 157.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F53 Y55 | F53-A110 HydrophobicContact CB-CB 4.43Å; F53-A110 PolarHBondContact N-O 3.1Å; F53-A110 PolarHBondContact O-N 2.92Å; Y55-A110 HydrophobicContact CD2-CB 4.38Å; Y55-A110 HydrophobicContact CE2-CB 4.16Å |
| 111 | L | 97.3 | Very high | 97.2 | Very high | 34 Ų | 34 | 61 Ų | 61 | 18% | 0.178 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 155.8 | 169.6 | 78.1 | 154.7 | 0 | 0 | 0 | 111.8 | D21 S22 V23 T46 P50 S51 L52 | D21-L111 HydrophobicContact CB-CD1 3.85Å; D21-L111 HydrophobicContact CB-CD2 4.46Å; D21-L111 HydrophobicContact CB-CG 4.33Å; S22-L111 VanDerWaalsContact C-CD2 3.46Å; S22-L111 WeakPolarHBondContact O-CD2 3.41Å; V23-L111 HydrophobicContact CB-CD2 4.44Å; V23-L111 HydrophobicContact CG1-CB 4.42Å; V23-L111 HydrophobicContact CG1-CD2 3.44Å; V23-L111 VanDerWaalsContact CG1-CD2 3.44Å; T46-L111 HydrophobicContact CG2-CD1 4.13Å; P50-L111 HydrophobicContact CB-CB 3.96Å; P50-L111 HydrophobicContact CB-CD1 3.85Å; P50-L111 HydrophobicContact CB-CG 4.49Å; P50-L111 HydrophobicContact CG-CD1 4.31Å; S51-L111 VanDerWaalsContact O-CA 3.31Å; S51-L111 WeakPolarHBondContact O-CA 3.33Å; L52-L111 HydrophobicContact CD2-CB 3.71Å |
| 112 | S | 94.4 | Very high | 97.3 | Very high | 112 Ų | 112 | 52 Ų | 52 | 78% | 0.783 | 33% | 0.331 | S | S | * | . | trans | -146.4 | 0 | 171.9 | 179.7 | 0 | 0 | 0 | 0 | 111.9 | P50 S51 | P50-S112 CarbonylContact C-O 3.52Å; P50-S112 WeakPolarHBondContact CA-O 3.34Å; S51-S112 PolarHBondContact N-O 3.01Å; S51-S112 PolarHBondContact O-N 2.93Å |
Retrieved 112 of 112 residues in 66.9 ms
(Link to these results)