| 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 | 49.3 | Very low | 55.3 | Low | 249 Ų | 249 | 159.5 Ų | 159.5 | 100% | 1.227 | 82% | 0.821 | S | S | * | * | 0 | 106.7 | 0 | -84.4 | 167.4 | 164.2 | 0 | 0 | 107.6 | |||||
| 2 | S | 45.5 | Very low | 55.8 | Low | 111 Ų | 111 | 160.8 Ų | 160.8 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | trans | -106.5 | 132.1 | -177.1 | -61.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 3 | F | 48.5 | Very low | 56.4 | Low | 213 Ų | 213 | 161 Ų | 161 | 93% | 0.934 | 82% | 0.82 | S | S | * | * | trans | -150.7 | 103.4 | 148.7 | -110.3 | -83.1 | 0 | 0 | 0 | 108.2 | ||||
| 4 | K | 55.4 | Low | 56.6 | Low | 203 Ų | 203 | 157.1 Ų | 157.1 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -90.6 | 131.4 | 169.5 | -77.4 | -177.3 | 174.6 | -179.4 | 0 | 108.2 | ||||
| 5 | F | 48.1 | Very low | 56.8 | Low | 195 Ų | 195 | 153.5 Ų | 153.5 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | trans | -48.7 | 141.3 | 160.4 | -92 | -108.2 | 0 | 0 | 0 | 111 | ||||
| 6 | H | 56.9 | Low | 57 | Low | 175 Ų | 175 | 155.6 Ų | 155.6 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | -178.7 | 145.4 | 120.4 | -120.4 | -71.5 | 0 | 0 | 0 | 116.2 | |||||
| 7 | V | 56.8 | Low | 57.2 | Low | 100 Ų | 100 | 155.2 Ų | 155.2 | 61% | 0.606 | 80% | 0.801 | S | S | * | * | trans | 74.6 | 111.5 | 152.5 | -169.6 | 0 | 0 | 0 | 0 | 119 | T9 | V7-T9 WeakPolarHBondContact CG1-OG1 3.07Š| ||
| 8 | S | 58.5 | Low | 57.2 | Low | 124 Ų | 124 | 155.8 Ų | 155.8 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | trans | -116.7 | 112.2 | 137.9 | -96.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 9 | T | 58.8 | Low | 57.3 | Low | 108 Ų | 108 | 152.8 Ų | 152.8 | 66% | 0.663 | 80% | 0.798 | S | S | * | * | trans | -79 | 113.9 | 174.2 | -45.8 | 0 | 0 | 0 | 0 | 108.3 | V7 I11 | V7-T9 WeakPolarHBondContact CG1-OG1 3.07Å; T9-I11 HydrophobicContact CG2-CG1 4.3Å | ||
| 10 | I | 65.1 | Low | 57.8 | Low | 134 Ų | 134 | 148.3 Ų | 148.3 | 69% | 0.687 | 78% | 0.779 | S | S | * | * | trans | -92.2 | 110 | 169 | -64.1 | 175.7 | 0 | 0 | 0 | 107.4 | F12 | I10-F12 HydrophobicContact CG2-CD2 3.84Å; I10-F12 HydrophobicContact CG2-CE2 3.75Å | ||
| 11 | I | 65.2 | Low | 58.5 | Low | 142 Ų | 142 | 145.2 Ų | 145.2 | 73% | 0.728 | 77% | 0.769 | S | S | * | * | trans | -85.8 | 107 | 171.6 | -62.8 | 172.8 | 0 | 0 | 0 | 107.4 | T9 L13 | T9-I11 HydrophobicContact CG2-CG1 4.3Å; I11-L13 PolarHBondContact O-N 3.36Å | ||
| 12 | F | 61.3 | Low | 60 | Low | 176 Ų | 176 | 136.4 Ų | 136.4 | 77% | 0.772 | 73% | 0.729 | S | S | * | * | trans | -78.6 | 105.9 | 167.5 | -88.7 | -85.7 | 0 | 0 | 0 | 109.2 | I10 T14 | I10-F12 HydrophobicContact CG2-CD2 3.84Å; I10-F12 HydrophobicContact CG2-CE2 3.75Å; F12-T14 PolarHBondContact O-N 3.18Å; F12-T14 VanDerWaalsContact O-N 3.16Å | ||
| 13 | L | 64.1 | Low | 62 | Low | 163 Ų | 163 | 136.9 Ų | 136.9 | 85% | 0.853 | 72% | 0.719 | S | S | * | * | trans | -77.9 | 89.6 | 169.4 | -160.9 | 83 | 0 | 0 | 0 | 108.4 | I11 C15 | I11-L13 PolarHBondContact O-N 3.36Å; L13-C15 PolarHBondContact O-N 3.16Å | ||
| 14 | T | 59.6 | Low | 64.2 | Low | 106 Ų | 106 | 128.7 Ų | 128.7 | 65% | 0.65 | 69% | 0.691 | S | S | * | * | trans | -75.9 | 100.9 | 171.7 | 42.5 | 0 | 0 | 0 | 0 | 109.4 | F12 F16 | F12-T14 PolarHBondContact O-N 3.18Å; F12-T14 VanDerWaalsContact O-N 3.16Å; T14-F16 PolarHBondContact O-N 2.85Å | ||
| 15 | C | 59.3 | Low | 66.1 | Low | 104 Ų | 104 | 123.2 Ų | 123.2 | 70% | 0.703 | 67% | 0.667 | S | S | * | * | trans | -68.8 | 97.5 | 170.3 | -164.3 | 0 | 0 | 0 | 0 | 108.7 | L13 L17 | L13-C15 PolarHBondContact O-N 3.16Å; C15-L17 PolarHBondContact O-N 3.03Å | ||
| 16 | F | 59.9 | Low | 68.5 | Low | 187 Ų | 187 | 115.4 Ų | 115.4 | 82% | 0.82 | 63% | 0.633 | S | S | * | * | trans | -68.3 | 79.9 | 165.8 | -86.6 | -88.4 | 0 | 0 | 0 | 108.7 | T14 L18 | T14-F16 PolarHBondContact O-N 2.85Å; F16-L18 PolarHBondContact O-N 3.06Å | ||
| 17 | L | 59.4 | Low | 70.4 | Confident | 149 Ų | 149 | 110.5 Ų | 110.5 | 78% | 0.78 | 61% | 0.613 | S | S | * | * | trans | -62.3 | 105.7 | 157.9 | -89.5 | 152.7 | 0 | 0 | 0 | 106.3 | C15 C19 | C15-L17 PolarHBondContact O-N 3.03Å; L17-C19 PolarHBondContact O-N 3.44Å | ||
| 18 | L | 57.6 | Low | 72.4 | Confident | 166 Ų | 166 | 110.9 Ų | 110.9 | 87% | 0.869 | 61% | 0.612 | S | S | * | * | trans | -58.1 | 90.1 | 165.1 | -79.3 | 161.9 | 0 | 0 | 0 | 107.3 | F16 S20 | F16-L18 PolarHBondContact O-N 3.06Å; L18-S20 PolarHBondContact O-N 2.77Å | ||
| 19 | C | 58.7 | Low | 74.3 | Confident | 99 Ų | 99 | 109.8 Ų | 109.8 | 67% | 0.669 | 60% | 0.6 | S | S | * | * | trans | -63.2 | 108.2 | 172.4 | -166.6 | 0 | 0 | 0 | 0 | 106.4 | L17 C21 | L17-C19 PolarHBondContact O-N 3.44Å; C19-C21 PolarHBondContact O-N 3.11Å; C19-C21 PolarHBondContact SG-SG 3Å | ||
| 20 | S | 67.2 | Low | 76.1 | Confident | 61 Ų | 61 | 105.9 Ų | 105.9 | 43% | 0.427 | 58% | 0.575 | S | S | . | * | trans | -72.8 | 73 | 168.5 | -65.7 | 0 | 0 | 0 | 0 | 107.1 | L18 V22 | L18-S20 PolarHBondContact O-N 2.77Å; S20-V22 PolarHBondContact O-N 3.46Å; S20-V22 VanDerWaalsContact O-N 3.11Å | ||
| 21 | C | 72.8 | Confident | 77.7 | Confident | 84 Ų | 84 | 101.2 Ų | 101.2 | 57% | 0.568 | 55% | 0.549 | S | S | * | . | trans | -59.2 | 117.9 | -176 | -65.5 | 0 | 0 | 0 | 0 | 109 | C19 | C19-C21 PolarHBondContact O-N 3.11Å; C19-C21 PolarHBondContact SG-SG 3Å | ||
| 22 | V | 81.5 | Confident | 79.3 | Confident | 64 Ų | 64 | 100.7 Ų | 100.7 | 39% | 0.388 | 54% | 0.543 | S | S | . | . | trans | -71.9 | 129.6 | 165.7 | 177.8 | 0 | 0 | 0 | 0 | 107.4 | S20 D77 C79 T152 D153 | S20-V22 PolarHBondContact O-N 3.46Å; S20-V22 VanDerWaalsContact O-N 3.11Å; V22-D77 WeakPolarHBondContact CG1-O 3.45Å; V22-C79 VanDerWaalsContact CG1-SG 3.55Å; V22-T152 HydrophobicContact CG1-CG2 3.16Å; V22-D153 WeakPolarHBondContact CA-O 3.26Å | ||
| 23 | H | 88.3 | Confident | 81.1 | Confident | 121 Ų | 121 | 95.7 Ų | 95.7 | 56% | 0.56 | 52% | 0.522 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 121.8 | -177.4 | -174.1 | 63.6 | 0 | 0 | 0 | 111.4 | K25 T152 D153 | H23-K25 PolarHBondContact O-N 2.83Å; H23-T152 WeakPolarHBondContact O-CA 3.39Å; H23-D153 HydrophobicContact CB-CB 4.45Å; H23-D153 PolarHBondContact N-O 3.41Å; H23-D153 PolarHBondContact O-N 2.85Å |
| 24 | A | 93.8 | Very high | 82.8 | Confident | 42 Ų | 42 | 88 Ų | 88 | 35% | 0.347 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 127.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q73 | A24-Q73 HydrophobicContact CB-CG 4.35Å |
| 25 | K | 95.3 | Very high | 84.6 | Confident | 87 Ų | 87 | 84.7 Ų | 84.7 | 38% | 0.378 | 46% | 0.46 | S | S | . | . | trans | -103.9 | -11.7 | -177 | -101.1 | -172.4 | 158.8 | 149.2 | 0 | 114.1 | H23 N27 I30 V151 D153 L161 | H23-K25 PolarHBondContact O-N 2.83Å; K25-N27 PolarHBondContact O-N 2.8Å; K25-N27 PolarHBondContact O-ND2 2.72Å; K25-I30 VanDerWaalsContact O-CD1 3.28Å; K25-I30 WeakPolarHBondContact O-CD1 3.48Å; K25-V151 HydrophobicContact CB-CB 4.41Å; K25-V151 HydrophobicContact CB-CG1 3.89Å; K25-V151 PolarHBondContact N-O 2.72Å; K25-D153 WeakPolarHBondContact CD-OD1 3.49Å; K25-D153 VanDerWaalsContact CD-OD2 3.28Å; K25-D153 WeakPolarHBondContact CD-OD2 3.49Å; K25-D153 VanDerWaalsContact CE-CG 3.5Å; K25-D153 WeakPolarHBondContact CE-OD1 3.1Å; K25-D153 WeakPolarHBondContact CE-OD2 2.81Å; K25-D153 IonicContact NZ-OD1 2.63Å; K25-D153 PolarHBondContact NZ-OD1 3.13Å; K25-D153 IonicContact NZ-OD2 3.84Å; K25-D153 PolarHBondContact NZ-OD2 3.39Å; K25-L161 HydrophobicContact CD-CD1 3.64Å | ||
| 26 | M | 97.4 | Very high | 86.5 | Confident | 32 Ų | 32 | 83.8 Ų | 83.8 | 16% | 0.158 | 45% | 0.451 | C | S | . | . | trans | -54.7 | 135.8 | -177.1 | -79 | -59.9 | -64.9 | 0 | 0 | 112.7 | I30 R31 L34 W64 C149 V151 | M26-I30 HydrophobicContact CE-CG2 4.26Å; M26-I30 HydrophobicContact SD-CB 4.45Å; M26-I30 HydrophobicContact SD-CG2 3.53Å; M26-I30 VanDerWaalsContact SD-CG2 3.53Å; M26-R31 HydrophobicContact CE-CB 4.14Å; M26-L34 HydrophobicContact SD-CD1 4.26Å; M26-W64 HydrophobicContact CE-CH2 3.9Å; M26-W64 HydrophobicContact CE-CZ2 3.65Å; M26-C149 VanDerWaalsContact CE-O 3.31Å; M26-C149 WeakPolarHBondContact CE-O 3.45Å; M26-V151 HydrophobicContact CG-CB 3.92Å; M26-V151 HydrophobicContact CG-CG2 4.16Å; M26-V151 HydrophobicContact SD-CB 3.78Å; M26-V151 HydrophobicContact SD-CG2 3.38Å; M26-V151 WeakPolarHBondContact SD-CG2 3.49Å | ||
| 27 | N | 97.6 | Very high | 88.4 | Confident | 71 Ų | 71 | 76.6 Ų | 76.6 | 38% | 0.38 | 42% | 0.42 | S | S | . | . | trans | -155.6 | 174.5 | 174.1 | 60.9 | 56.9 | 0 | 0 | 0 | 109.2 | K25 T29 I30 R31 | K25-N27 PolarHBondContact O-N 2.8Å; K25-N27 PolarHBondContact O-ND2 2.72Å; N27-T29 VanDerWaalsContact C-N 3.33Å; N27-T29 PolarHBondContact O-N 3.37Å; N27-T29 WeakPolarHBondContact OD1-CB 3.48Å; N27-T29 PolarHBondContact OD1-N 3.28Å; N27-T29 VanDerWaalsContact OD1-N 3.11Å; N27-I30 PolarHBondContact O-N 3.42Å; N27-I30 PolarHBondContact OD1-N 2.8Å; N27-R31 WeakPolarHBondContact O-CB 3.35Å; N27-R31 PolarHBondContact O-N 2.8Å | ||
| 28 | D | 98.1 | Very high | 90.2 | Very high | 109 Ų | 109 | 69.5 Ų | 69.5 | 58% | 0.583 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -60.1 | -39.3 | -174.8 | -61.6 | -8.6 | 0 | 0 | 0 | 113 | R31 E32 | D28-R31 WeakPolarHBondContact O-CB 3.3Å; D28-R31 PolarHBondContact O-N 3.29Å; D28-R31 IonicContact OD1-CZ 2.94Å; D28-R31 IonicContact OD1-NH1 3.93Å; D28-R31 PolarHBondContact OD1-NH1 3.08Å; D28-E32 WeakPolarHBondContact O-CG 3.31Å; D28-E32 PolarHBondContact O-N 2.94Å |
| 29 | T | 98.4 | Very high | 92.2 | Very high | 101 Ų | 101 | 62.5 Ų | 62.5 | 62% | 0.62 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -64.3 | -44.8 | 176.8 | -54.5 | 0 | 0 | 0 | 0 | 112.1 | N27 R31 Q33 | N27-T29 VanDerWaalsContact C-N 3.33Å; N27-T29 PolarHBondContact O-N 3.37Å; N27-T29 WeakPolarHBondContact OD1-CB 3.48Å; N27-T29 PolarHBondContact OD1-N 3.28Å; N27-T29 VanDerWaalsContact OD1-N 3.11Å; T29-R31 VanDerWaalsContact C-N 3.31Å; T29-R31 PolarHBondContact O-N 3.05Å; T29-Q33 WeakPolarHBondContact O-CB 3.46Å; T29-Q33 PolarHBondContact O-N 3.35Å |
| 30 | I | 98.4 | Very high | 94.1 | Very high | 25 Ų | 25 | 61.1 Ų | 61.1 | 13% | 0.128 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.9 | -39.9 | 177.1 | -71.9 | 174.9 | 0 | 0 | 0 | 110.7 | K25 M26 N27 Q33 L34 V107 V151 | K25-I30 VanDerWaalsContact O-CD1 3.28Å; K25-I30 WeakPolarHBondContact O-CD1 3.48Å; M26-I30 HydrophobicContact CE-CG2 4.26Å; M26-I30 HydrophobicContact SD-CB 4.45Å; M26-I30 HydrophobicContact SD-CG2 3.53Å; M26-I30 VanDerWaalsContact SD-CG2 3.53Å; N27-I30 PolarHBondContact O-N 3.42Å; N27-I30 PolarHBondContact OD1-N 2.8Å; I30-Q33 PolarHBondContact O-N 3.05Å; I30-L34 HydrophobicContact CG2-CD1 3.74Å; I30-L34 HydrophobicContact CG2-CG 4.32Å; I30-L34 WeakPolarHBondContact O-CB 3.31Å; I30-L34 WeakPolarHBondContact O-CG 3.23Å; I30-L34 PolarHBondContact O-N 3.14Å; I30-V107 HydrophobicContact CG2-CG1 3.91Å; I30-V151 HydrophobicContact CG2-CG2 4.11Å |
| 31 | R | 98.7 | Very high | 95.6 | Very high | 37 Ų | 37 | 58.6 Ų | 58.6 | 14% | 0.14 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.8 | -51.7 | 177.3 | 179.4 | 172.4 | -53 | 103.1 | 2.9 | 111.7 | M26 N27 D28 T29 Q33 L34 L35 W64 E69 | M26-R31 HydrophobicContact CE-CB 4.14Å; N27-R31 WeakPolarHBondContact O-CB 3.35Å; N27-R31 PolarHBondContact O-N 2.8Å; D28-R31 WeakPolarHBondContact O-CB 3.3Å; D28-R31 PolarHBondContact O-N 3.29Å; D28-R31 IonicContact OD1-CZ 2.94Å; D28-R31 IonicContact OD1-NH1 3.93Å; D28-R31 PolarHBondContact OD1-NH1 3.08Å; T29-R31 VanDerWaalsContact C-N 3.31Å; T29-R31 PolarHBondContact O-N 3.05Å; R31-Q33 VanDerWaalsContact C-N 3.32Å; R31-Q33 PolarHBondContact O-N 2.95Å; R31-L34 PolarHBondContact O-N 3.38Å; R31-L35 WeakPolarHBondContact O-CB 3.35Å; R31-L35 PolarHBondContact O-N 2.84Å; R31-W64 HydrophobicContact CB-CH2 4.37Å; R31-W64 HydrophobicContact CB-CZ2 4.28Å; R31-W64 VanDerWaalsContact CD-CD1 3.43Å; R31-W64 VanDerWaalsContact CD-NE1 3.34Å; R31-W64 HydrophobicContact CG-CD2 3.41Å; R31-W64 VanDerWaalsContact CG-CD2 3.41Å; R31-W64 HydrophobicContact CG-CE3 3.77Å; R31-W64 HydrophobicContact CG-CG 3.81Å; R31-W64 HydrophobicContact CG-CH2 3.95Å; R31-W64 HydrophobicContact CG-CZ2 3.67Å; R31-W64 HydrophobicContact CG-CZ3 4.02Å; R31-E69 IonicContact CZ-OE1 3.88Å; R31-E69 IonicContact CZ-OE2 3.4Å; R31-E69 VanDerWaalsContact CZ-OE2 3.28Å; R31-E69 IonicContact NE-OE1 3.92Å; R31-E69 IonicContact NE-OE2 2.75Å; R31-E69 PolarHBondContact NE-OE2 2.76Å; R31-E69 VanDerWaalsContact NH2-CD 3.27Å; R31-E69 IonicContact NH2-OE1 2.74Å; R31-E69 PolarHBondContact NH2-OE1 2.94Å; R31-E69 IonicContact NH2-OE2 2.6Å; R31-E69 PolarHBondContact NH2-OE2 3.42Å |
| 32 | E | 98.6 | Very high | 96.8 | Very high | 130 Ų | 130 | 54.6 Ų | 54.6 | 61% | 0.607 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -60 | -42.7 | 176.4 | -74 | 176.9 | 179.7 | 0 | 0 | 111.7 | D28 L35 T36 | D28-E32 WeakPolarHBondContact O-CG 3.31Å; D28-E32 PolarHBondContact O-N 2.94Å; E32-L35 PolarHBondContact O-N 2.65Å; E32-T36 VanDerWaalsContact O-CB 3.26Å; E32-T36 WeakPolarHBondContact O-CB 3.44Å; E32-T36 PolarHBondContact O-N 3.37Å; E32-T36 PolarHBondContact O-OG1 2.99Å |
| 33 | Q | 98.6 | Very high | 97.6 | Very high | 72 Ų | 72 | 55.7 Ų | 55.7 | 34% | 0.336 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.1 | -50 | 177.5 | -174.9 | 177.5 | 15.7 | 0 | 0 | 111.7 | T29 I30 R31 T36 M37 V107 | T29-Q33 WeakPolarHBondContact O-CB 3.46Å; T29-Q33 PolarHBondContact O-N 3.35Å; I30-Q33 PolarHBondContact O-N 3.05Å; R31-Q33 VanDerWaalsContact C-N 3.32Å; R31-Q33 PolarHBondContact O-N 2.95Å; Q33-T36 PolarHBondContact O-N 3.12Å; Q33-M37 HydrophobicContact CG-SD 4.14Å; Q33-M37 WeakPolarHBondContact O-CB 3.19Å; Q33-M37 VanDerWaalsContact O-CG 3.26Å; Q33-M37 WeakPolarHBondContact O-CG 3.09Å; Q33-M37 PolarHBondContact O-N 3.26Å; Q33-V107 HydrophobicContact CG-CG2 4.45Å; Q33-V107 VanDerWaalsContact OE1-CG2 3.24Å |
| 34 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 179.4 | -77.1 | 169.4 | 0 | 0 | 0 | 111.4 | M26 I30 R31 M37 H38 W64 V107 V111 C149 V151 | M26-L34 HydrophobicContact SD-CD1 4.26Å; I30-L34 HydrophobicContact CG2-CD1 3.74Å; I30-L34 HydrophobicContact CG2-CG 4.32Å; I30-L34 WeakPolarHBondContact O-CB 3.31Å; I30-L34 WeakPolarHBondContact O-CG 3.23Å; I30-L34 PolarHBondContact O-N 3.14Å; R31-L34 PolarHBondContact O-N 3.38Å; L34-M37 PolarHBondContact O-N 3.27Å; L34-H38 PolarHBondContact O-N 3.35Å; L34-H38 PolarHBondContact O-ND1 3.35Å; L34-W64 HydrophobicContact CB-CH2 4.22Å; L34-W64 HydrophobicContact CB-CZ3 3.93Å; L34-W64 HydrophobicContact CD1-CH2 4.27Å; L34-V107 HydrophobicContact CD2-CB 3.97Å; L34-V107 HydrophobicContact CG-CB 4.24Å; L34-V111 HydrophobicContact CD2-CG2 3.79Å; L34-C149 HydrophobicContact CD1-CB 3.71Å; L34-V151 HydrophobicContact CD1-CG2 4.1Å |
| 35 | L | 98.9 | Very high | 98.3 | Very high | 38 Ų | 38 | 50.3 Ų | 50.3 | 20% | 0.199 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.1 | -47.8 | 176.8 | -176.5 | 61.5 | 0 | 0 | 0 | 111.6 | R31 E32 M37 H38 N39 L62 W64 V147 | R31-L35 WeakPolarHBondContact O-CB 3.35Å; R31-L35 PolarHBondContact O-N 2.84Å; E32-L35 PolarHBondContact O-N 2.65Å; L35-M37 PolarHBondContact O-N 2.03Å; L35-H38 PolarHBondContact O-N 3.18Å; L35-N39 WeakPolarHBondContact O-CB 3.37Å; L35-N39 PolarHBondContact O-N 3.25Å; L35-L62 HydrophobicContact CD1-CB 4.23Å; L35-L62 WeakPolarHBondContact CD1-O 3.49Å; L35-W64 HydrophobicContact CB-CE3 4.04Å; L35-W64 HydrophobicContact CB-CZ3 4.46Å; L35-W64 HydrophobicContact CD1-CE3 4.47Å; L35-W64 HydrophobicContact CD2-CB 4.36Å; L35-V147 HydrophobicContact CD1-CG1 3.84Å |
| 36 | T | 98.8 | Very high | 98.5 | Very high | 84 Ų | 84 | 50.6 Ų | 50.6 | 52% | 0.515 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.2 | -47.5 | 179.9 | -60.5 | 0 | 0 | 0 | 0 | 110.6 | E32 Q33 H38 N39 V40 | E32-T36 VanDerWaalsContact O-CB 3.26Å; E32-T36 WeakPolarHBondContact O-CB 3.44Å; E32-T36 PolarHBondContact O-N 3.37Å; E32-T36 PolarHBondContact O-OG1 2.99Å; Q33-T36 PolarHBondContact O-N 3.12Å; T36-H38 PolarHBondContact O-N 3.04Å; T36-N39 PolarHBondContact O-N 3.46Å; T36-V40 WeakPolarHBondContact O-CG2 2.99Å; T36-V40 PolarHBondContact O-N 2.89Å |
| 37 | M | 98.8 | Very high | 98.5 | Very high | 36 Ų | 36 | 54.9 Ų | 54.9 | 18% | 0.177 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66 | -37.7 | -179 | -69.1 | -176 | 75.1 | 0 | 0 | 113.1 | Q33 L34 L35 N39 V40 V41 E108 V111 K112 | Q33-M37 HydrophobicContact CG-SD 4.14Å; Q33-M37 WeakPolarHBondContact O-CB 3.19Å; Q33-M37 VanDerWaalsContact O-CG 3.26Å; Q33-M37 WeakPolarHBondContact O-CG 3.09Å; Q33-M37 PolarHBondContact O-N 3.26Å; L34-M37 PolarHBondContact O-N 3.27Å; L35-M37 PolarHBondContact O-N 2.03Å; M37-N39 VanDerWaalsContact C-N 3.33Å; M37-V40 PolarHBondContact O-N 3.27Å; M37-V41 WeakPolarHBondContact O-CG2 3.41Å; M37-V41 PolarHBondContact O-N 3.48Å; M37-E108 HydrophobicContact CE-CB 4.12Å; M37-E108 HydrophobicContact CE-CG 3.51Å; M37-E108 WeakPolarHBondContact CE-O 3.28Å; M37-E108 HydrophobicContact SD-CB 4.09Å; M37-E108 HydrophobicContact SD-CG 3.94Å; M37-V111 HydrophobicContact CB-CB 4.21Å; M37-V111 HydrophobicContact CB-CG1 3.91Å; M37-V111 HydrophobicContact CB-CG2 4.18Å; M37-V111 HydrophobicContact CE-CB 3.91Å; M37-V111 HydrophobicContact CE-CG1 4.36Å; M37-V111 HydrophobicContact SD-CB 4.44Å; M37-V111 HydrophobicContact SD-CG2 4.49Å; M37-K112 HydrophobicContact CE-CG 4.34Å |
| 38 | H | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.7 | -43.9 | 172.4 | -79.5 | 83.4 | 0 | 0 | 0 | 111.4 | L34 L35 T36 V41 R42 L62 Y167 | L34-H38 PolarHBondContact O-N 3.35Å; L34-H38 PolarHBondContact O-ND1 3.35Å; L35-H38 PolarHBondContact O-N 3.18Å; T36-H38 PolarHBondContact O-N 3.04Å; H38-V41 PolarHBondContact O-N 2.94Å; H38-R42 WeakPolarHBondContact O-CG 3.39Å; H38-R42 PolarHBondContact O-N 3.22Å; H38-R42 VanDerWaalsContact O-N 3.07Å; H38-L62 HydrophobicContact CB-CD1 4.24Å; H38-Y167 AromaticContact CD2-CE1 3.69Å; H38-Y167 AromaticContact NE2-CE1 3.59Å; H38-Y167 AromaticContact NE2-CZ 3.58Å; H38-Y167 PolarHBondContact NE2-OH 2.96Å |
| 39 | N | 98.8 | Very high | 98.5 | Very high | 20 Ų | 20 | 53.1 Ų | 53.1 | 11% | 0.107 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.3 | -35.9 | 179.9 | -78.3 | -21.8 | 0 | 0 | 0 | 112.4 | L35 T36 M37 V41 R42 E43 L61 L62 | L35-N39 WeakPolarHBondContact O-CB 3.37Å; L35-N39 PolarHBondContact O-N 3.25Å; T36-N39 PolarHBondContact O-N 3.46Å; M37-N39 VanDerWaalsContact C-N 3.33Å; N39-V41 PolarHBondContact O-N 2.93Å; N39-R42 PolarHBondContact O-N 3.45Å; N39-E43 WeakPolarHBondContact O-CG 3.41Å; N39-E43 PolarHBondContact O-N 2.83Å; N39-L61 HydrophobicContact CB-CD2 3.97Å; N39-L61 WeakPolarHBondContact OD1-CA 3.02Å; N39-L62 PolarHBondContact ND2-O 3.02Å; N39-L62 VanDerWaalsContact ND2-O 3.14Å; N39-L62 PolarHBondContact OD1-N 3.38Å |
| 40 | V | 98.7 | Very high | 98.4 | Very high | 70 Ų | 70 | 48.5 Ų | 48.5 | 42% | 0.424 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.7 | -45.6 | 170 | 169 | 0 | 0 | 0 | 0 | 111.3 | T36 M37 R42 E43 L44 | T36-V40 WeakPolarHBondContact O-CG2 2.99Å; T36-V40 PolarHBondContact O-N 2.89Å; M37-V40 PolarHBondContact O-N 3.27Å; V40-R42 VanDerWaalsContact C-N 3.29Å; V40-R42 PolarHBondContact O-N 3.22Å; V40-E43 PolarHBondContact O-N 2.75Å; V40-L44 HydrophobicContact CG1-CD1 4.33Å; V40-L44 WeakPolarHBondContact O-CG 3.43Å; V40-L44 PolarHBondContact O-N 3.1Å |
| 41 | V | 98.7 | Very high | 98.4 | Very high | 7 Ų | 7 | 51.3 Ų | 51.3 | 4% | 0.042 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61 | -40 | 177.6 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | M37 H38 N39 L44 A45 V111 F115 L139 V140 | M37-V41 WeakPolarHBondContact O-CG2 3.41Å; M37-V41 PolarHBondContact O-N 3.48Å; H38-V41 PolarHBondContact O-N 2.94Å; N39-V41 PolarHBondContact O-N 2.93Å; V41-L44 PolarHBondContact O-N 3.31Å; V41-A45 PolarHBondContact O-N 2.73Å; V41-V111 HydrophobicContact CG2-CG1 4.31Å; V41-F115 HydrophobicContact CB-CD2 4.43Å; V41-F115 HydrophobicContact CG1-CD2 3.77Å; V41-F115 HydrophobicContact CG1-CE2 4.31Å; V41-F115 HydrophobicContact CG2-CB 4.14Å; V41-F115 HydrophobicContact CG2-CD2 3.88Å; V41-F115 HydrophobicContact CG2-CG 4.14Å; V41-L139 HydrophobicContact CG1-CB 4.33Å; V41-L139 HydrophobicContact CG1-CD2 4.29Å; V41-L139 HydrophobicContact CG2-CD2 4.44Å; V41-V140 HydrophobicContact CG1-CG1 3.77Å |
| 42 | R | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 0% | 0.004 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.8 | -37 | 178 | -70.5 | 175.5 | 73.8 | 85.7 | -5.3 | 112.3 | H38 N39 V40 A45 K46 M59 K60 L139 W141 T144 | H38-R42 WeakPolarHBondContact O-CG 3.39Å; H38-R42 PolarHBondContact O-N 3.22Å; H38-R42 VanDerWaalsContact O-N 3.07Å; N39-R42 PolarHBondContact O-N 3.45Å; V40-R42 VanDerWaalsContact C-N 3.29Å; V40-R42 PolarHBondContact O-N 3.22Å; R42-A45 PolarHBondContact O-N 3.39Å; R42-K46 PolarHBondContact O-N 3.05Å; R42-M59 HydrophobicContact CB-CG 3.7Å; R42-M59 HydrophobicContact CB-SD 4.27Å; R42-M59 HydrophobicContact CG-CG 4.25Å; R42-M59 HydrophobicContact CG-SD 4.16Å; R42-M59 PolarHBondContact NH2-SD 2.65Å; R42-M59 VanDerWaalsContact NH2-SD 3.38Å; R42-M59 VanDerWaalsContact O-CG 3.29Å; R42-M59 WeakPolarHBondContact O-CG 3.31Å; R42-K60 PolarHBondContact NE-O 3.39Å; R42-K60 PolarHBondContact NH2-O 3.35Å; R42-L139 WeakPolarHBondContact CG-O 3.17Å; R42-L139 PolarHBondContact NH1-O 2.02Å; R42-W141 PolarHBondContact NH1-O 2.74Å; R42-W141 PolarHBondContact NH2-O 2.79Å; R42-T144 PolarHBondContact NH2-O 3.06Å |
| 43 | E | 98.5 | Very high | 98.2 | Very high | 86 Ų | 86 | 52.7 Ų | 52.7 | 40% | 0.402 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 171.4 | -72.3 | -179.7 | 146 | 0 | 0 | 111.7 | N39 V40 A45 K46 F47 L61 | N39-E43 WeakPolarHBondContact O-CG 3.41Å; N39-E43 PolarHBondContact O-N 2.83Å; V40-E43 PolarHBondContact O-N 2.75Å; E43-A45 VanDerWaalsContact C-N 3.27Å; E43-A45 PolarHBondContact O-N 3.12Å; E43-K46 WeakPolarHBondContact O-CB 3.41Å; E43-K46 PolarHBondContact O-N 2.76Å; E43-K46 VanDerWaalsContact O-N 3.13Å; E43-F47 HydrophobicContact CB-CD2 4.43Å; E43-F47 HydrophobicContact CB-CE2 4.43Å; E43-F47 WeakPolarHBondContact O-CD2 3.36Å; E43-F47 PolarHBondContact O-N 3.05Å; E43-L61 HydrophobicContact CG-CD2 3.91Å |
| 44 | L | 98.5 | Very high | 98.1 | Very high | 49 Ų | 49 | 51.2 Ų | 51.2 | 26% | 0.257 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.6 | -40.2 | 174.5 | -67.1 | 172.5 | 0 | 0 | 0 | 111.8 | V40 V41 G48 L49 I50 F115 | V40-L44 HydrophobicContact CG1-CD1 4.33Å; V40-L44 WeakPolarHBondContact O-CG 3.43Å; V40-L44 PolarHBondContact O-N 3.1Å; V41-L44 PolarHBondContact O-N 3.31Å; L44-G48 PolarHBondContact O-N 3.41Å; L44-L49 HydrophobicContact CB-CB 4.37Å; L44-L49 HydrophobicContact CD2-CB 3.74Å; L44-L49 HydrophobicContact CD2-CD1 4.03Å; L44-L49 PolarHBondContact O-N 2.86Å; L44-I50 HydrophobicContact CB-CD1 4.19Å; L44-I50 HydrophobicContact CB-CG1 3.64Å; L44-F115 HydrophobicContact CD1-CE2 4.23Å; L44-F115 HydrophobicContact CD1-CZ 4Å |
| 45 | A | 98.3 | Very high | 98.1 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.008 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V41 R42 E43 F47 G48 I50 A56 M59 V140 Y179 | V41-A45 PolarHBondContact O-N 2.73Å; R42-A45 PolarHBondContact O-N 3.39Å; E43-A45 VanDerWaalsContact C-N 3.27Å; E43-A45 PolarHBondContact O-N 3.12Å; A45-F47 VanDerWaalsContact C-N 3.28Å; A45-F47 PolarHBondContact O-N 2.91Å; A45-G48 PolarHBondContact O-N 3.28Å; A45-I50 HydrophobicContact CB-CD1 3.7Å; A45-A56 PolarHBondContact O-N 2.78Å; A45-M59 HydrophobicContact CB-CE 4.44Å; A45-V140 HydrophobicContact CB-CB 4.45Å; A45-V140 HydrophobicContact CB-CG1 4Å; A45-Y179 HydrophobicContact CB-CE1 4.36Å |
| 46 | K | 97.9 | Very high | 98.1 | Very high | 94 Ų | 94 | 54.3 Ų | 54.3 | 41% | 0.409 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59 | -37.1 | 177.9 | -170.9 | 179.9 | 172.3 | -177.4 | 0 | 113.1 | R42 E43 E55 M59 | R42-K46 PolarHBondContact O-N 3.05Å; E43-K46 WeakPolarHBondContact O-CB 3.41Å; E43-K46 PolarHBondContact O-N 2.76Å; E43-K46 VanDerWaalsContact O-N 3.13Å; K46-E55 VanDerWaalsContact O-CG 3.25Å; K46-E55 WeakPolarHBondContact O-CG 3.4Å; K46-M59 HydrophobicContact CB-CB 3.99Å; K46-M59 HydrophobicContact CG-CB 4.39Å |
| 47 | F | 97.5 | Very high | 98 | Very high | 121 Ų | 121 | 53.2 Ų | 53.2 | 53% | 0.531 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 9.8 | -177.6 | -64.8 | -63.5 | 0 | 0 | 0 | 113.6 | E43 A45 L49 | E43-F47 HydrophobicContact CB-CD2 4.43Å; E43-F47 HydrophobicContact CB-CE2 4.43Å; E43-F47 WeakPolarHBondContact O-CD2 3.36Å; E43-F47 PolarHBondContact O-N 3.05Å; A45-F47 VanDerWaalsContact C-N 3.28Å; A45-F47 PolarHBondContact O-N 2.91Å; F47-L49 HydrophobicContact CB-CD1 3.94Å; F47-L49 HydrophobicContact CB-CG 3.89Å; F47-L49 WeakPolarHBondContact O-CG 3.39Å; F47-L49 PolarHBondContact O-N 3.28Å |
| 48 | G | 97.5 | Very high | 97.8 | Very high | 32 Ų | 32 | 56.6 Ų | 56.6 | 33% | 0.33 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | 25.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | L44 A45 | L44-G48 PolarHBondContact O-N 3.41Å; A45-G48 PolarHBondContact O-N 3.28Å |
| 49 | L | 98 | Very high | 97.7 | Very high | 111 Ų | 111 | 57.2 Ų | 57.2 | 58% | 0.581 | 29% | 0.291 | S | S | * | . | trans | -94.6 | 2.2 | -173.8 | -60.7 | 178.8 | 0 | 0 | 0 | 113.5 | L44 F47 P51 | L44-L49 HydrophobicContact CB-CB 4.37Å; L44-L49 HydrophobicContact CD2-CB 3.74Å; L44-L49 HydrophobicContact CD2-CD1 4.03Å; L44-L49 PolarHBondContact O-N 2.86Å; F47-L49 HydrophobicContact CB-CD1 3.94Å; F47-L49 HydrophobicContact CB-CG 3.89Å; F47-L49 WeakPolarHBondContact O-CG 3.39Å; F47-L49 PolarHBondContact O-N 3.28Å; L49-P51 WeakPolarHBondContact O-CD 3.27Å | ||
| 50 | I | 98 | Very high | 97.7 | Very high | 5 Ų | 5 | 63.6 Ų | 63.6 | 3% | 0.026 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -88.5 | 119 | 175.9 | -54.8 | -179.5 | 0 | 0 | 0 | 109 | L44 A45 R52 Q53 F115 A118 Y136 V140 | L44-I50 HydrophobicContact CB-CD1 4.19Å; L44-I50 HydrophobicContact CB-CG1 3.64Å; A45-I50 HydrophobicContact CB-CD1 3.7Å; I50-R52 PolarHBondContact O-N 3.41Å; I50-Q53 HydrophobicContact CB-CB 4.02Å; I50-Q53 HydrophobicContact CB-CG 4.22Å; I50-Q53 HydrophobicContact CG2-CB 3.99Å; I50-Q53 HydrophobicContact CG2-CG 3.6Å; I50-Q53 PolarHBondContact O-N 3.04Å; I50-Q53 VanDerWaalsContact O-N 3.14Å; I50-F115 HydrophobicContact CB-CE2 4.46Å; I50-F115 HydrophobicContact CD1-CE2 3.95Å; I50-F115 HydrophobicContact CG1-CE2 3.89Å; I50-F115 HydrophobicContact CG1-CZ 4.4Å; I50-F115 HydrophobicContact CG2-CE2 3.9Å; I50-F115 HydrophobicContact CG2-CZ 4.26Å; I50-A118 HydrophobicContact CG2-CB 3.8Å; I50-Y136 HydrophobicContact CD1-CE2 4.08Å; I50-V140 HydrophobicContact CD1-CG1 4.35Å |
| 51 | P | 96.6 | Very high | 97.7 | Very high | 84 Ų | 84 | 64.8 Ų | 64.8 | 55% | 0.545 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 132.8 | -179 | -26.7 | 35 | 0 | 0 | 0 | 113 | L49 Q53 | L49-P51 WeakPolarHBondContact O-CD 3.27Å; P51-Q53 PolarHBondContact O-N 3.36Å |
| 52 | R | 95.3 | Very high | 97.7 | Very high | 181 Ų | 181 | 64.9 Ų | 64.9 | 68% | 0.683 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | 14.7 | -179.2 | -60.4 | -179.6 | -73.1 | -85.4 | -14.4 | 115.6 | I50 | I50-R52 PolarHBondContact O-N 3.41Š|
| 53 | Q | 97.8 | Very high | 97.7 | Very high | 14 Ų | 14 | 71 Ų | 71 | 7% | 0.065 | 35% | 0.347 | C | S | . | . | trans | -117.7 | 141.7 | 175.6 | -56.3 | -61.8 | -36.7 | 0 | 0 | 109.5 | I50 P51 A118 Y121 Y136 | I50-Q53 HydrophobicContact CB-CB 4.02Å; I50-Q53 HydrophobicContact CB-CG 4.22Å; I50-Q53 HydrophobicContact CG2-CB 3.99Å; I50-Q53 HydrophobicContact CG2-CG 3.6Å; I50-Q53 PolarHBondContact O-N 3.04Å; I50-Q53 VanDerWaalsContact O-N 3.14Å; P51-Q53 PolarHBondContact O-N 3.36Å; Q53-A118 HydrophobicContact CG-CB 4.3Å; Q53-A118 PolarHBondContact NE2-O 3.2Å; Q53-Y121 PolarHBondContact NE2-O 3.18Å; Q53-Y136 HydrophobicContact CG-CE1 4.18Å; Q53-Y136 WeakPolarHBondContact CG-OH 3.2Å | ||
| 54 | P | 97.8 | Very high | 97.7 | Very high | 41 Ų | 41 | 68.8 Ų | 68.8 | 27% | 0.266 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -71 | 157.6 | 177.3 | 29.1 | -33.1 | 0 | 0 | 0 | 111.4 | F123 Y179 T181 | P54-F123 HydrophobicContact CG-CB 4.09Å; P54-F123 HydrophobicContact CG-CD1 3.49Å; P54-F123 VanDerWaalsContact CG-CD1 3.49Å; P54-F123 HydrophobicContact CG-CD2 3.71Å; P54-F123 HydrophobicContact CG-CE1 3.71Å; P54-F123 HydrophobicContact CG-CE2 3.92Å; P54-F123 HydrophobicContact CG-CG 3.47Å; P54-F123 VanDerWaalsContact CG-CG 3.47Å; P54-F123 HydrophobicContact CG-CZ 3.89Å; P54-Y179 HydrophobicContact CG-CE2 4.14Å; P54-Y179 VanDerWaalsContact O-CE2 3.27Å; P54-Y179 WeakPolarHBondContact O-CE2 3.39Å; P54-Y179 PolarHBondContact O-OH 3.27Å; P54-T181 HydrophobicContact CB-CG2 3.52Å; P54-T181 HydrophobicContact CG-CG2 3.31Å |
| 55 | E | 98.2 | Very high | 97.7 | Very high | 102 Ų | 102 | 67.3 Ų | 67.3 | 48% | 0.477 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 136 | 171.7 | -174.7 | 177.9 | 157.8 | 0 | 0 | 110.9 | K46 T181 | K46-E55 VanDerWaalsContact O-CG 3.25Å; K46-E55 WeakPolarHBondContact O-CG 3.4Å; E55-T181 WeakPolarHBondContact O-CA 3.5Å |
| 56 | A | 98.1 | Very high | 97.7 | Very high | 2 Ų | 2 | 72.5 Ų | 72.5 | 2% | 0.017 | 35% | 0.353 | C | S | . | . | B | Isolated β-bridge | trans | -86.1 | 125.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | A45 H58 M59 Y179 R180 | A45-A56 PolarHBondContact O-N 2.78Å; A56-H58 VanDerWaalsContact C-N 3.26Å; A56-H58 PolarHBondContact O-N 3.12Å; A56-M59 HydrophobicContact CB-CB 4.31Å; A56-M59 HydrophobicContact CB-CE 3.9Å; A56-Y179 HydrophobicContact CB-CD1 4.37Å; A56-Y179 HydrophobicContact CB-CD2 3.36Å; A56-Y179 HydrophobicContact CB-CE2 3.69Å; A56-Y179 HydrophobicContact CB-CG 3.72Å; A56-R180 WeakPolarHBondContact CA-O 3.14Å |
| 57 | V | 96.6 | Very high | 97.7 | Very high | 61 Ų | 61 | 71.5 Ų | 71.5 | 37% | 0.37 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -67.2 | -29.9 | 176.3 | -73.4 | 0 | 0 | 0 | 0 | 112.8 | R180 A182 | V57-R180 HydrophobicContact CG2-CB 3.52Å; V57-R180 WeakPolarHBondContact CG2-O 3.49Å; V57-R180 PolarHBondContact N-O 3.14Å; V57-A182 VanDerWaalsContact CG1-CA 3.49Å; V57-A182 HydrophobicContact CG1-CB 3.77Å |
| 58 | H | 95.2 | Very high | 97.8 | Very high | 106 Ų | 106 | 65.7 Ų | 65.7 | 49% | 0.491 | 33% | 0.325 | S | S | . | . | trans | -140.4 | 125.2 | 179.9 | -64.7 | 90.8 | 0 | 0 | 0 | 109.2 | A56 E142 | A56-H58 VanDerWaalsContact C-N 3.26Å; A56-H58 PolarHBondContact O-N 3.12Å; H58-E142 HydrophobicContact CB-CG 4.45Å; H58-E142 WeakPolarHBondContact CB-OE1 3.44Å; H58-E142 WeakPolarHBondContact O-CG 3.16Å | ||
| 59 | M | 98 | Very high | 97.8 | Very high | 14 Ų | 14 | 65 Ų | 65 | 7% | 0.069 | 31% | 0.313 | C | S | . | . | trans | -150.6 | 105.9 | 175.2 | -168.7 | 58.4 | 61.6 | 0 | 0 | 109.2 | R42 A45 K46 A56 V140 Y179 | R42-M59 HydrophobicContact CB-CG 3.7Å; R42-M59 HydrophobicContact CB-SD 4.27Å; R42-M59 HydrophobicContact CG-CG 4.25Å; R42-M59 HydrophobicContact CG-SD 4.16Å; R42-M59 PolarHBondContact NH2-SD 2.65Å; R42-M59 VanDerWaalsContact NH2-SD 3.38Å; R42-M59 VanDerWaalsContact O-CG 3.29Å; R42-M59 WeakPolarHBondContact O-CG 3.31Å; A45-M59 HydrophobicContact CB-CE 4.44Å; K46-M59 HydrophobicContact CB-CB 3.99Å; K46-M59 HydrophobicContact CG-CB 4.39Å; A56-M59 HydrophobicContact CB-CB 4.31Å; A56-M59 HydrophobicContact CB-CE 3.9Å; M59-V140 HydrophobicContact CE-CB 4.43Å; M59-V140 VanDerWaalsContact CE-O 3.23Å; M59-V140 WeakPolarHBondContact CE-O 3.18Å; M59-Y179 HydrophobicContact CE-CD1 3.71Å; M59-Y179 HydrophobicContact CE-CG 3.84Å | ||
| 60 | K | 97.3 | Very high | 97.8 | Very high | 154 Ų | 154 | 64.6 Ų | 64.6 | 67% | 0.67 | 30% | 0.304 | S | S | * | . | P | Polyproline II helix | trans | -83.6 | 147.1 | 179.5 | -65.4 | -178 | -178.7 | 175.6 | 0 | 110.3 | R42 | R42-K60 PolarHBondContact NE-O 3.39Å; R42-K60 PolarHBondContact NH2-O 3.35Å |
| 61 | L | 98.4 | Very high | 97.8 | Very high | 95 Ų | 95 | 66.4 Ų | 66.4 | 50% | 0.497 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 144.1 | 169.5 | -57.2 | -173 | 0 | 0 | 0 | 110.2 | N39 E43 | N39-L61 HydrophobicContact CB-CD2 3.97Å; N39-L61 WeakPolarHBondContact OD1-CA 3.02Å; E43-L61 HydrophobicContact CG-CD2 3.91Å |
| 62 | L | 98.8 | Very high | 97.9 | Very high | 8 Ų | 8 | 62.4 Ų | 62.4 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -76 | 151.8 | 173.5 | -54.5 | -177.9 | 0 | 0 | 0 | 109.9 | L35 H38 N39 T144 T145 V147 | L35-L62 HydrophobicContact CD1-CB 4.23Å; L35-L62 WeakPolarHBondContact CD1-O 3.49Å; H38-L62 HydrophobicContact CB-CD1 4.24Å; N39-L62 PolarHBondContact ND2-O 3.02Å; N39-L62 VanDerWaalsContact ND2-O 3.14Å; N39-L62 PolarHBondContact OD1-N 3.38Å; L62-T144 HydrophobicContact CD2-CG2 3.81Å; L62-T144 WeakPolarHBondContact CD2-O 3.35Å; L62-T145 WeakPolarHBondContact CA-O 3.34Å; L62-V147 HydrophobicContact CB-CG1 4.07Å; L62-V147 HydrophobicContact CD1-CB 3.94Å; L62-V147 HydrophobicContact CD1-CG1 3.98Å |
| 63 | K | 98.7 | Very high | 98.1 | Very high | 129 Ų | 129 | 54.8 Ų | 54.8 | 56% | 0.561 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 158.2 | 163.7 | 63.1 | -177.4 | -179.4 | 176 | 0 | 110.1 | T145 D146 V147 | K63-T145 PolarHBondContact N-O 3.04Å; K63-D146 WeakPolarHBondContact CE-OD1 3.46Å; K63-D146 WeakPolarHBondContact CE-OD2 3.48Å; K63-D146 IonicContact NZ-OD1 3.53Å; K63-D146 IonicContact NZ-OD2 3.18Å; K63-D146 WeakPolarHBondContact O-CA 3.39Å; K63-V147 PolarHBondContact O-N 3.32Å |
| 64 | W | 98.8 | Very high | 98 | Very high | 40 Ų | 40 | 58.1 Ų | 58.1 | 15% | 0.152 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 142 | 175.6 | -163.5 | -91 | 0 | 0 | 0 | 111.9 | M26 R31 L34 L35 E69 V147 C149 | M26-W64 HydrophobicContact CE-CH2 3.9Å; M26-W64 HydrophobicContact CE-CZ2 3.65Å; R31-W64 HydrophobicContact CB-CH2 4.37Å; R31-W64 HydrophobicContact CB-CZ2 4.28Å; R31-W64 VanDerWaalsContact CD-CD1 3.43Å; R31-W64 VanDerWaalsContact CD-NE1 3.34Å; R31-W64 HydrophobicContact CG-CD2 3.41Å; R31-W64 VanDerWaalsContact CG-CD2 3.41Å; R31-W64 HydrophobicContact CG-CE3 3.77Å; R31-W64 HydrophobicContact CG-CG 3.81Å; R31-W64 HydrophobicContact CG-CH2 3.95Å; R31-W64 HydrophobicContact CG-CZ2 3.67Å; R31-W64 HydrophobicContact CG-CZ3 4.02Å; L34-W64 HydrophobicContact CB-CH2 4.22Å; L34-W64 HydrophobicContact CB-CZ3 3.93Å; L34-W64 HydrophobicContact CD1-CH2 4.27Å; L35-W64 HydrophobicContact CB-CE3 4.04Å; L35-W64 HydrophobicContact CB-CZ3 4.46Å; L35-W64 HydrophobicContact CD1-CE3 4.47Å; L35-W64 HydrophobicContact CD2-CB 4.36Å; W64-E69 HydrophobicContact CZ2-CB 4.01Å; W64-E69 HydrophobicContact CZ2-CG 4.31Å; W64-E69 VanDerWaalsContact CZ2-OE2 3.23Å; W64-E69 WeakPolarHBondContact CZ2-OE2 3.43Å; W64-E69 PolarHBondContact NE1-OE2 3.45Å; W64-V147 CarbonylContact C-O 3.55Å; W64-V147 VanDerWaalsContact CA-O 3.31Å; W64-V147 WeakPolarHBondContact CA-O 3.41Å; W64-V147 HydrophobicContact CE3-CG1 4.15Å; W64-C149 HydrophobicContact CH2-CB 3.73Å; W64-C149 HydrophobicContact CZ2-CB 4.36Å; W64-C149 VanDerWaalsContact CZ2-N 3.26Å |
| 65 | N | 98.7 | Very high | 98 | Very high | 19 Ų | 19 | 56.2 Ų | 56.2 | 10% | 0.102 | 26% | 0.263 | C | S | . | . | trans | -127.7 | 119.5 | 175.6 | -173.5 | -60 | 0 | 0 | 0 | 111.2 | E67 L68 E69 I91 D146 V147 | N65-E67 PolarHBondContact O-N 2.93Å; N65-E67 PolarHBondContact OD1-N 3.08Å; N65-L68 HydrophobicContact CB-CB 4.14Å; N65-L68 HydrophobicContact CB-CD1 3.9Å; N65-L68 HydrophobicContact CB-CG 3.95Å; N65-L68 PolarHBondContact O-N 3.17Å; N65-L68 PolarHBondContact OD1-N 3.08Å; N65-L68 VanDerWaalsContact OD1-N 3.12Å; N65-E69 PolarHBondContact O-N 3.41Å; N65-E69 VanDerWaalsContact O-N 3.08Å; N65-I91 WeakPolarHBondContact OD1-CD1 3.38Å; N65-D146 HydrophobicContact CB-CB 3.95Å; N65-D146 PolarHBondContact ND2-OD1 3.16Å; N65-D146 VanDerWaalsContact ND2-OD1 3.16Å; N65-V147 PolarHBondContact N-O 3.17Å | ||
| 66 | M | 98.3 | Very high | 97.9 | Very high | 109 Ų | 109 | 51.3 Ų | 51.3 | 54% | 0.537 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -68.7 | -30.2 | -174.7 | -66.7 | -58 | -63.4 | 0 | 0 | 113.6 | R70 | M66-R70 WeakPolarHBondContact O-CB 3.5Å; M66-R70 PolarHBondContact O-N 2.95Å |
| 67 | E | 98.3 | Very high | 97.9 | Very high | 73 Ų | 73 | 54.1 Ų | 54.1 | 34% | 0.341 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -74.3 | -38.4 | 177 | -74.5 | -59.4 | 139.6 | 0 | 0 | 111.5 | N65 E69 R70 K71 I91 | N65-E67 PolarHBondContact O-N 2.93Å; N65-E67 PolarHBondContact OD1-N 3.08Å; E67-E69 VanDerWaalsContact C-N 3.33Å; E67-R70 PolarHBondContact O-N 2.7Å; E67-R70 IonicContact OE1-NE 3.28Å; E67-R70 IonicContact OE2-CZ 3.32Å; E67-R70 IonicContact OE2-NE 3.04Å; E67-R70 PolarHBondContact OE2-NE 3.18Å; E67-R70 IonicContact OE2-NH2 2.8Å; E67-R70 PolarHBondContact OE2-NH2 3.48Å; E67-K71 WeakPolarHBondContact O-CG 3.38Å; E67-K71 PolarHBondContact O-N 2.92Å; E67-I91 HydrophobicContact CB-CB 4.09Å; E67-I91 HydrophobicContact CB-CD1 3.78Å; E67-I91 HydrophobicContact CB-CG2 3.87Å |
| 68 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 171.2 | -67.1 | -176.3 | 0 | 0 | 0 | 111.1 | N65 K71 A72 I91 F94 V97 D146 N166 | N65-L68 HydrophobicContact CB-CB 4.14Å; N65-L68 HydrophobicContact CB-CD1 3.9Å; N65-L68 HydrophobicContact CB-CG 3.95Å; N65-L68 PolarHBondContact O-N 3.17Å; N65-L68 PolarHBondContact OD1-N 3.08Å; N65-L68 VanDerWaalsContact OD1-N 3.12Å; L68-K71 PolarHBondContact O-N 2.75Å; L68-A72 WeakPolarHBondContact O-CB 3.45Å; L68-A72 PolarHBondContact O-N 2.94Å; L68-I91 HydrophobicContact CD2-CD1 3.65Å; L68-I91 HydrophobicContact CD2-CG1 3.99Å; L68-I91 HydrophobicContact CD2-CG2 4.2Å; L68-I91 HydrophobicContact CG-CD1 3.77Å; L68-F94 HydrophobicContact CD1-CD2 4.29Å; L68-F94 HydrophobicContact CD1-CE2 4.28Å; L68-F94 HydrophobicContact CD2-CD2 4.24Å; L68-F94 HydrophobicContact CG-CD2 4.47Å; L68-V97 HydrophobicContact CD2-CG1 3.8Å; L68-V97 HydrophobicContact CD2-CG2 3.87Å; L68-D146 HydrophobicContact CD1-CB 3.82Å; L68-N166 HydrophobicContact CB-CB 4.03Å; L68-N166 HydrophobicContact CD2-CB 4.17Å; L68-N166 PolarHBondContact O-ND2 3.48Å |
| 69 | E | 98.6 | Very high | 97.8 | Very high | 17 Ų | 17 | 50.5 Ų | 50.5 | 8% | 0.079 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.8 | -50.5 | 174.1 | 160.5 | 172.1 | 174.1 | 0 | 0 | 111.2 | R31 W64 N65 E67 K71 A72 Q73 C149 | R31-E69 IonicContact CZ-OE1 3.88Å; R31-E69 IonicContact CZ-OE2 3.4Å; R31-E69 VanDerWaalsContact CZ-OE2 3.28Å; R31-E69 IonicContact NE-OE1 3.92Å; R31-E69 IonicContact NE-OE2 2.75Å; R31-E69 PolarHBondContact NE-OE2 2.76Å; R31-E69 VanDerWaalsContact NH2-CD 3.27Å; R31-E69 IonicContact NH2-OE1 2.74Å; R31-E69 PolarHBondContact NH2-OE1 2.94Å; R31-E69 IonicContact NH2-OE2 2.6Å; R31-E69 PolarHBondContact NH2-OE2 3.42Å; W64-E69 HydrophobicContact CZ2-CB 4.01Å; W64-E69 HydrophobicContact CZ2-CG 4.31Å; W64-E69 VanDerWaalsContact CZ2-OE2 3.23Å; W64-E69 WeakPolarHBondContact CZ2-OE2 3.43Å; W64-E69 PolarHBondContact NE1-OE2 3.45Å; N65-E69 PolarHBondContact O-N 3.41Å; N65-E69 VanDerWaalsContact O-N 3.08Å; E67-E69 VanDerWaalsContact C-N 3.33Å; E69-K71 VanDerWaalsContact C-N 3.27Å; E69-K71 PolarHBondContact O-N 3.32Å; E69-A72 CarbonylContact O-C 3.45Å; E69-A72 PolarHBondContact O-N 2.89Å; E69-Q73 WeakPolarHBondContact O-CB 3.43Å; E69-Q73 PolarHBondContact O-N 2.94Å; E69-C149 WeakPolarHBondContact CG-O 3.26Å |
| 70 | R | 98 | Very high | 97.6 | Very high | 103 Ų | 103 | 54.8 Ų | 54.8 | 39% | 0.389 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.2 | -42.7 | -179.3 | -170.8 | -171.1 | 58.7 | 60.6 | 8.2 | 111.4 | M66 E67 N74 | M66-R70 WeakPolarHBondContact O-CB 3.5Å; M66-R70 PolarHBondContact O-N 2.95Å; E67-R70 PolarHBondContact O-N 2.7Å; E67-R70 IonicContact OE1-NE 3.28Å; E67-R70 IonicContact OE2-CZ 3.32Å; E67-R70 IonicContact OE2-NE 3.04Å; E67-R70 PolarHBondContact OE2-NE 3.18Å; E67-R70 IonicContact OE2-NH2 2.8Å; E67-R70 PolarHBondContact OE2-NH2 3.48Å; R70-N74 VanDerWaalsContact O-CG 3.28Å; R70-N74 PolarHBondContact O-N 2.78Å; R70-N74 PolarHBondContact O-OD1 2.67Å |
| 71 | K | 98 | Very high | 97.4 | Very high | 43 Ų | 43 | 51.7 Ų | 51.7 | 19% | 0.187 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.5 | -42.1 | 175.1 | -68.4 | -66.1 | -159.2 | 152.4 | 0 | 112.1 | E67 L68 E69 Q73 N74 L75 Q88 R90 I91 N166 | E67-K71 WeakPolarHBondContact O-CG 3.38Å; E67-K71 PolarHBondContact O-N 2.92Å; L68-K71 PolarHBondContact O-N 2.75Å; E69-K71 VanDerWaalsContact C-N 3.27Å; E69-K71 PolarHBondContact O-N 3.32Å; K71-Q73 VanDerWaalsContact C-N 3.35Å; K71-N74 WeakPolarHBondContact O-CB 3.38Å; K71-N74 PolarHBondContact O-N 3.03Å; K71-L75 PolarHBondContact O-N 3.21Å; K71-Q88 VanDerWaalsContact CD-O 3.31Å; K71-Q88 WeakPolarHBondContact CD-O 3.38Å; K71-Q88 WeakPolarHBondContact CE-O 3.44Å; K71-Q88 PolarHBondContact NZ-O 3.2Å; K71-R90 VanDerWaalsContact CE-O 3.23Å; K71-R90 WeakPolarHBondContact CE-O 2.89Å; K71-I91 HydrophobicContact CG-CG2 3.87Å; K71-N166 WeakPolarHBondContact CB-ND2 3.29Å |
| 72 | A | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.4 | -38.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L68 E69 L75 S76 G150 V164 N166 | L68-A72 WeakPolarHBondContact O-CB 3.45Å; L68-A72 PolarHBondContact O-N 2.94Å; E69-A72 CarbonylContact O-C 3.45Å; E69-A72 PolarHBondContact O-N 2.89Å; A72-L75 PolarHBondContact O-N 2.82Å; A72-S76 PolarHBondContact O-N 2.88Å; A72-S76 PolarHBondContact O-OG 3.08Å; A72-G150 VanDerWaalsContact CB-N 3.32Å; A72-V164 HydrophobicContact CB-CB 4.13Å; A72-V164 HydrophobicContact CB-CG1 3.81Å; A72-N166 WeakPolarHBondContact CA-ND2 3.39Å; A72-N166 HydrophobicContact CB-CB 4.31Å; A72-N166 PolarHBondContact N-ND2 3.35Å; A72-N166 VanDerWaalsContact N-ND2 3.12Å |
| 73 | Q | 98.2 | Very high | 96.8 | Very high | 20 Ų | 20 | 55.2 Ų | 55.2 | 9% | 0.093 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 175.6 | -170.1 | 62.9 | 53.5 | 0 | 0 | 111.2 | A24 E69 K71 L75 S76 D77 G150 V151 T152 | A24-Q73 HydrophobicContact CB-CG 4.35Å; E69-Q73 WeakPolarHBondContact O-CB 3.43Å; E69-Q73 PolarHBondContact O-N 2.94Å; K71-Q73 VanDerWaalsContact C-N 3.35Å; Q73-L75 PolarHBondContact O-N 2.91Å; Q73-S76 WeakPolarHBondContact CA-OG 3.3Å; Q73-S76 PolarHBondContact NE2-OG 3.22Å; Q73-S76 PolarHBondContact O-N 2.82Å; Q73-S76 PolarHBondContact O-OG 2.88Å; Q73-S76 VanDerWaalsContact O-OG 3.1Å; Q73-D77 PolarHBondContact NE2-OD1 2.96Å; Q73-D77 VanDerWaalsContact O-CB 3.31Å; Q73-D77 WeakPolarHBondContact O-CB 3.21Å; Q73-D77 PolarHBondContact O-N 2.67Å; Q73-G150 VanDerWaalsContact OE1-CA 3.27Å; Q73-V151 PolarHBondContact NE2-O 2.97Å; Q73-V151 PolarHBondContact OE1-O 2.94Å; Q73-T152 PolarHBondContact NE2-OG1 3.4Å |
| 74 | N | 96.9 | Very high | 96.7 | Very high | 84 Ų | 84 | 49.7 Ų | 49.7 | 45% | 0.449 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -56.2 | -37.5 | 174.1 | -73.9 | -2.8 | 0 | 0 | 0 | 112.5 | R70 K71 Q78 | R70-N74 VanDerWaalsContact O-CG 3.28Å; R70-N74 PolarHBondContact O-N 2.78Å; R70-N74 PolarHBondContact O-OD1 2.67Å; K71-N74 WeakPolarHBondContact O-CB 3.38Å; K71-N74 PolarHBondContact O-N 3.03Å; N74-Q78 WeakPolarHBondContact O-CG 3.42Å |
| 75 | L | 97.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -75.8 | -45.3 | 175.5 | 178.9 | 59.3 | 0 | 0 | 0 | 112.2 | K71 A72 Q73 D77 Q78 E82 D84 Q99 V164 | K71-L75 PolarHBondContact O-N 3.21Å; A72-L75 PolarHBondContact O-N 2.82Å; Q73-L75 PolarHBondContact O-N 2.91Å; L75-D77 PolarHBondContact O-N 2.98Å; L75-Q78 WeakPolarHBondContact O-CB 3.37Å; L75-Q78 PolarHBondContact O-N 3.11Å; L75-E82 HydrophobicContact CD1-CG 4.19Å; L75-D84 WeakPolarHBondContact CB-OD2 3.27Å; L75-D84 HydrophobicContact CD2-CB 4.48Å; L75-Q99 VanDerWaalsContact CD2-CD 3.41Å; L75-Q99 HydrophobicContact CD2-CG 4.5Å; L75-V164 HydrophobicContact CB-CG1 4.44Å; L75-V164 HydrophobicContact CB-CG2 4.32Å; L75-V164 HydrophobicContact CD2-CG1 3.91Å; L75-V164 HydrophobicContact CD2-CG2 4Å; L75-V164 HydrophobicContact CG-CG2 4.02Å |
| 76 | S | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.5 | -33.1 | 179.9 | 64.5 | 0 | 0 | 0 | 0 | 111.9 | A72 Q73 Q78 C79 V151 T152 | A72-S76 PolarHBondContact O-N 2.88Å; A72-S76 PolarHBondContact O-OG 3.08Å; Q73-S76 WeakPolarHBondContact CA-OG 3.3Å; Q73-S76 PolarHBondContact NE2-OG 3.22Å; Q73-S76 PolarHBondContact O-N 2.82Å; Q73-S76 PolarHBondContact O-OG 2.88Å; Q73-S76 VanDerWaalsContact O-OG 3.1Å; S76-Q78 PolarHBondContact O-N 3.22Å; S76-C79 PolarHBondContact O-N 3.34Å; S76-C79 VanDerWaalsContact O-N 3.12Å; S76-V151 PolarHBondContact OG-N 2.89Å; S76-T152 VanDerWaalsContact CB-OG1 3.27Å; S76-T152 WeakPolarHBondContact CB-OG1 3.3Å; S76-T152 WeakPolarHBondContact O-CB 3.5Å; S76-T152 PolarHBondContact O-OG1 2.78Å; S76-T152 PolarHBondContact OG-OG1 2.9Å |
| 77 | D | 96.4 | Very high | 96 | Very high | 60 Ų | 60 | 57.8 Ų | 57.8 | 32% | 0.321 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -17 | 174.6 | -71.2 | -14.6 | 0 | 0 | 0 | 114.1 | V22 Q73 L75 C79 T152 | V22-D77 WeakPolarHBondContact CG1-O 3.45Å; Q73-D77 PolarHBondContact NE2-OD1 2.96Å; Q73-D77 VanDerWaalsContact O-CB 3.31Å; Q73-D77 WeakPolarHBondContact O-CB 3.21Å; Q73-D77 PolarHBondContact O-N 2.67Å; L75-D77 PolarHBondContact O-N 2.98Å; D77-C79 PolarHBondContact O-N 2.74Å; D77-T152 PolarHBondContact N-OG1 3.04Å; D77-T152 VanDerWaalsContact OD1-CG2 3.31Å; D77-T152 WeakPolarHBondContact OD1-CG2 3.34Å; D77-T152 PolarHBondContact OD1-OG1 2.71Å |
| 78 | Q | 95 | Very high | 95.8 | Very high | 75 Ų | 75 | 59 Ų | 59 | 35% | 0.35 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -18.5 | 174.8 | -58.8 | -174.3 | 49.7 | 0 | 0 | 112.3 | N74 L75 S76 K80 E82 | N74-Q78 WeakPolarHBondContact O-CG 3.42Å; L75-Q78 WeakPolarHBondContact O-CB 3.37Å; L75-Q78 PolarHBondContact O-N 3.11Å; S76-Q78 PolarHBondContact O-N 3.22Å; Q78-K80 VanDerWaalsContact C-N 3.32Å; Q78-K80 HydrophobicContact CB-CD 4.38Å; Q78-K80 PolarHBondContact O-N 2.92Å; Q78-E82 PolarHBondContact OE1-OE1 3.33Å |
| 79 | C | 95.2 | Very high | 95.7 | Very high | 17 Ų | 17 | 60.9 Ų | 60.9 | 12% | 0.115 | 29% | 0.294 | C | S | . | . | trans | 46.4 | 56.8 | -174.8 | -64.8 | 0 | 0 | 0 | 0 | 111.6 | V22 S76 D77 C154 F157 | V22-C79 VanDerWaalsContact CG1-SG 3.55Å; S76-C79 PolarHBondContact O-N 3.34Å; S76-C79 VanDerWaalsContact O-N 3.12Å; D77-C79 PolarHBondContact O-N 2.74Å; C79-C154 WeakPolarHBondContact CA-SG 3.16Å; C79-C154 HydrophobicContact CB-CB 3.64Å; C79-C154 WeakPolarHBondContact CB-SG 3.5Å; C79-C154 WeakPolarHBondContact SG-CA 3.32Å; C79-C154 WeakPolarHBondContact SG-CB 3.29Å; C79-C154 CovalentContact SG-SG 2.03Å; C79-C154 PolarHBondContact SG-SG 2.82Å; C79-F157 HydrophobicContact CB-CE2 4.22Å; C79-F157 WeakPolarHBondContact O-CE2 3.43Å | ||
| 80 | K | 93.9 | Very high | 95.6 | Very high | 103 Ų | 103 | 63.9 Ų | 63.9 | 45% | 0.448 | 31% | 0.305 | S | S | . | . | trans | -135.3 | 148.7 | 176.3 | -71 | 171.9 | -173 | 173 | 0 | 109.7 | Q78 E82 W101 | Q78-K80 VanDerWaalsContact C-N 3.32Å; Q78-K80 HydrophobicContact CB-CD 4.38Å; Q78-K80 PolarHBondContact O-N 2.92Å; K80-E82 VanDerWaalsContact C-N 3.29Å; K80-E82 HydrophobicContact CB-CG 3.9Å; K80-E82 WeakPolarHBondContact CD-OE1 3.46Å; K80-E82 IonicContact NZ-OE1 3.87Å; K80-E82 PolarHBondContact O-N 3.48Å; K80-W101 VanDerWaalsContact O-CE2 3.31Å; K80-W101 WeakPolarHBondContact O-CZ2 3.31Å; K80-W101 PolarHBondContact O-NE1 3.32Å | ||
| 81 | S | 93 | Very high | 95.6 | Very high | 90 Ų | 90 | 59.3 Ų | 59.3 | 63% | 0.629 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -88.4 | 73.2 | 175.8 | -166.3 | 0 | 0 | 0 | 0 | 109.2 | W101 | S81-W101 VanDerWaalsContact CA-CZ2 3.49Å; S81-W101 VanDerWaalsContact OG-CH2 3.3Å; S81-W101 WeakPolarHBondContact OG-CH2 3.38Å; S81-W101 WeakPolarHBondContact OG-CZ3 3.18Å |
| 82 | E | 91.9 | Very high | 95.6 | Very high | 82 Ų | 82 | 62.4 Ų | 62.4 | 38% | 0.383 | 31% | 0.313 | S | S | . | . | trans | -145.6 | 162 | -179.6 | 67 | -166.3 | -173.7 | 0 | 0 | 110.5 | L75 Q78 K80 | L75-E82 HydrophobicContact CD1-CG 4.19Å; Q78-E82 PolarHBondContact OE1-OE1 3.33Å; K80-E82 VanDerWaalsContact C-N 3.29Å; K80-E82 HydrophobicContact CB-CG 3.9Å; K80-E82 WeakPolarHBondContact CD-OE1 3.46Å; K80-E82 IonicContact NZ-OE1 3.87Å; K80-E82 PolarHBondContact O-N 3.48Å | ||
| 83 | H | 93.6 | Very high | 95.5 | Very high | 94 Ų | 94 | 67.9 Ų | 67.9 | 44% | 0.435 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -102.3 | 146.5 | 169.4 | -78.2 | -65.1 | 0 | 0 | 0 | 109.5 | Q99 | H83-Q99 PolarHBondContact CE1-O 2.63Å; H83-Q99 PolarHBondContact ND1-OE1 3.36Å |
| 84 | D | 95.7 | Very high | 95.5 | Very high | 13 Ų | 13 | 68.1 Ų | 68.1 | 7% | 0.07 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 154.3 | 169.2 | -74 | -43.3 | 0 | 0 | 0 | 110.7 | L75 Q88 R89 Q99 | L75-D84 WeakPolarHBondContact CB-OD2 3.27Å; L75-D84 HydrophobicContact CD2-CB 4.48Å; D84-Q88 HydrophobicContact CB-CB 3.95Å; D84-R89 HydrophobicContact CB-CG 3.63Å; D84-R89 PolarHBondContact O-NE 3.23Å; D84-R89 PolarHBondContact O-NH2 2.97Å; D84-Q99 PolarHBondContact OD2-NE2 2.88Å |
| 85 | E | 95.6 | Very high | 95.4 | Very high | 138 Ų | 138 | 69.8 Ų | 69.8 | 65% | 0.645 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 154.1 | 164.7 | -66.5 | -60.7 | 156.9 | 0 | 0 | 111.3 | E87 Q88 R89 | E85-E87 PolarHBondContact O-N 2.89Å; E85-E87 VanDerWaalsContact O-N 3.14Å; E85-Q88 HydrophobicContact CB-CG 4.39Å; E85-Q88 WeakPolarHBondContact O-CB 3.31Å; E85-Q88 PolarHBondContact O-N 3.4Å; E85-R89 PolarHBondContact O-N 2.96Å |
| 86 | I | 91.7 | Very high | 95.4 | Very high | 83 Ų | 83 | 72.9 Ų | 72.9 | 43% | 0.426 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -52.7 | -42.9 | -176.6 | -66.5 | 173.7 | 0 | 0 | 0 | 111.7 | Q88 R89 R90 | I86-Q88 VanDerWaalsContact C-N 3.3Å; I86-Q88 PolarHBondContact O-N 2.97Å; I86-R89 PolarHBondContact O-N 2.94Å; I86-R90 PolarHBondContact O-N 2.94Å |
| 87 | E | 93.7 | Very high | 95.4 | Very high | 117 Ų | 117 | 73 Ų | 73 | 55% | 0.547 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.9 | -35.4 | 179.3 | -62.8 | -57.7 | 146.3 | 0 | 0 | 113.1 | E85 R89 R90 | E85-E87 PolarHBondContact O-N 2.89Å; E85-E87 VanDerWaalsContact O-N 3.14Å; E87-R89 VanDerWaalsContact C-N 3.27Å; E87-R89 PolarHBondContact O-N 3.14Å; E87-R90 VanDerWaalsContact CD-CZ 3.45Å; E87-R90 IonicContact OE1-CZ 2.94Å; E87-R90 IonicContact OE1-NE 3.87Å; E87-R90 IonicContact OE1-NH1 2.72Å; E87-R90 PolarHBondContact OE1-NH1 3.15Å; E87-R90 IonicContact OE1-NH2 2.85Å; E87-R90 PolarHBondContact OE1-NH2 2.04Å; E87-R90 IonicContact OE2-CZ 3.33Å; E87-R90 IonicContact OE2-NE 3.78Å; E87-R90 IonicContact OE2-NH1 2.72Å; E87-R90 PolarHBondContact OE2-NH1 2.79Å |
| 88 | Q | 95 | Very high | 95.5 | Very high | 99 Ų | 99 | 70.5 Ų | 70.5 | 46% | 0.463 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -70.1 | -28.2 | 179.9 | -68.4 | 172.1 | -51.5 | 0 | 0 | 111.4 | K71 D84 E85 I86 | K71-Q88 VanDerWaalsContact CD-O 3.31Å; K71-Q88 WeakPolarHBondContact CD-O 3.38Å; K71-Q88 WeakPolarHBondContact CE-O 3.44Å; K71-Q88 PolarHBondContact NZ-O 3.2Å; D84-Q88 HydrophobicContact CB-CB 3.95Å; E85-Q88 HydrophobicContact CB-CG 4.39Å; E85-Q88 WeakPolarHBondContact O-CB 3.31Å; E85-Q88 PolarHBondContact O-N 3.4Å; I86-Q88 VanDerWaalsContact C-N 3.3Å; I86-Q88 PolarHBondContact O-N 2.97Å |
| 89 | R | 96.2 | Very high | 95.6 | Very high | 39 Ų | 39 | 67.6 Ų | 67.6 | 15% | 0.147 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -83.3 | -22.3 | -178.8 | -54.2 | 175.3 | -163 | 172.7 | 4.7 | 113.9 | D84 E85 I86 E87 V97 | D84-R89 HydrophobicContact CB-CG 3.63Å; D84-R89 PolarHBondContact O-NE 3.23Å; D84-R89 PolarHBondContact O-NH2 2.97Å; E85-R89 PolarHBondContact O-N 2.96Å; I86-R89 PolarHBondContact O-N 2.94Å; E87-R89 VanDerWaalsContact C-N 3.27Å; E87-R89 PolarHBondContact O-N 3.14Å; R89-V97 HydrophobicContact CB-CB 3.75Å; R89-V97 HydrophobicContact CB-CG1 3.85Å; R89-V97 WeakPolarHBondContact CD-O 3.46Å; R89-V97 PolarHBondContact NH1-O 3.09Å; R89-V97 WeakPolarHBondContact O-CG2 3.43Å |
| 90 | R | 97 | Very high | 95.7 | Very high | 80 Ų | 80 | 66.8 Ų | 66.8 | 30% | 0.302 | 33% | 0.331 | S | S | . | . | trans | -56.8 | 141.5 | -177.1 | -73.5 | -174.1 | 177 | 153.4 | 15.4 | 112.3 | K71 I86 E87 Q95 | K71-R90 VanDerWaalsContact CE-O 3.23Å; K71-R90 WeakPolarHBondContact CE-O 2.89Å; I86-R90 PolarHBondContact O-N 2.94Å; E87-R90 VanDerWaalsContact CD-CZ 3.45Å; E87-R90 IonicContact OE1-CZ 2.94Å; E87-R90 IonicContact OE1-NE 3.87Å; E87-R90 IonicContact OE1-NH1 2.72Å; E87-R90 PolarHBondContact OE1-NH1 3.15Å; E87-R90 IonicContact OE1-NH2 2.85Å; E87-R90 PolarHBondContact OE1-NH2 2.04Å; E87-R90 IonicContact OE2-CZ 3.33Å; E87-R90 IonicContact OE2-NE 3.78Å; E87-R90 IonicContact OE2-NH1 2.72Å; E87-R90 PolarHBondContact OE2-NH1 2.79Å; R90-Q95 WeakPolarHBondContact CD-O 3.42Å; R90-Q95 VanDerWaalsContact CG-O 3.3Å; R90-Q95 WeakPolarHBondContact CG-O 3.28Å; R90-Q95 PolarHBondContact NE-O 2.73Å | ||
| 91 | I | 97.8 | Very high | 95.9 | Very high | 7 Ų | 7 | 63.8 Ų | 63.8 | 4% | 0.036 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -128.5 | 162.8 | 169.4 | 69.4 | 164.6 | 0 | 0 | 0 | 108.6 | N65 E67 L68 K71 E93 F94 | N65-I91 WeakPolarHBondContact OD1-CD1 3.38Å; E67-I91 HydrophobicContact CB-CB 4.09Å; E67-I91 HydrophobicContact CB-CD1 3.78Å; E67-I91 HydrophobicContact CB-CG2 3.87Å; L68-I91 HydrophobicContact CD2-CD1 3.65Å; L68-I91 HydrophobicContact CD2-CG1 3.99Å; L68-I91 HydrophobicContact CD2-CG2 4.2Å; L68-I91 HydrophobicContact CG-CD1 3.77Å; K71-I91 HydrophobicContact CG-CG2 3.87Å; I91-E93 HydrophobicContact CD1-CB 4.32Å; I91-E93 VanDerWaalsContact CD1-OE2 3.3Å; I91-E93 WeakPolarHBondContact CD1-OE2 3.49Å; I91-E93 HydrophobicContact CG1-CB 4.42Å; I91-E93 PolarHBondContact O-N 3.26Å; I91-E93 VanDerWaalsContact O-N 3.08Å; I91-F94 HydrophobicContact CD1-CD2 3.68Å; I91-F94 HydrophobicContact CD1-CE2 4.22Å; I91-F94 HydrophobicContact CG1-CB 4.14Å; I91-F94 HydrophobicContact CG1-CD2 3.87Å; I91-F94 HydrophobicContact CG1-CG 4.45Å; I91-F94 PolarHBondContact N-O 3.47Å; I91-F94 CarbonylContact O-C 3.51Å; I91-F94 PolarHBondContact O-N 2.98Å; I91-F94 VanDerWaalsContact O-O 3.11Å |
| 92 | P | 97 | Very high | 96.1 | Very high | 109 Ų | 109 | 60.4 Ų | 60.4 | 71% | 0.708 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | -37.4 | -177.4 | -29.6 | 37.4 | 0 | 0 | 0 | 114.2 | ||
| 93 | E | 97.5 | Very high | 96.3 | Very high | 114 Ų | 114 | 57.3 Ų | 57.3 | 53% | 0.533 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -27.6 | -178.3 | -60.8 | 80.2 | -179.4 | 0 | 0 | 114 | I91 | I91-E93 HydrophobicContact CD1-CB 4.32Å; I91-E93 VanDerWaalsContact CD1-OE2 3.3Å; I91-E93 WeakPolarHBondContact CD1-OE2 3.49Å; I91-E93 HydrophobicContact CG1-CB 4.42Å; I91-E93 PolarHBondContact O-N 3.26Å; I91-E93 VanDerWaalsContact O-N 3.08Å |
| 94 | F | 97.7 | Very high | 96.4 | Very high | 26 Ų | 26 | 53 Ų | 53 | 11% | 0.114 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -135.3 | 110.6 | -172 | -55.1 | -61.4 | 0 | 0 | 0 | 112.3 | L68 I91 V97 D146 P169 | L68-F94 HydrophobicContact CD1-CD2 4.29Å; L68-F94 HydrophobicContact CD1-CE2 4.28Å; L68-F94 HydrophobicContact CD2-CD2 4.24Å; L68-F94 HydrophobicContact CG-CD2 4.47Å; I91-F94 HydrophobicContact CD1-CD2 3.68Å; I91-F94 HydrophobicContact CD1-CE2 4.22Å; I91-F94 HydrophobicContact CG1-CB 4.14Å; I91-F94 HydrophobicContact CG1-CD2 3.87Å; I91-F94 HydrophobicContact CG1-CG 4.45Å; I91-F94 PolarHBondContact N-O 3.47Å; I91-F94 CarbonylContact O-C 3.51Å; I91-F94 PolarHBondContact O-N 2.98Å; I91-F94 VanDerWaalsContact O-O 3.11Å; F94-V97 HydrophobicContact CB-CG2 3.74Å; F94-D146 HydrophobicContact CE2-CB 3.65Å; F94-D146 HydrophobicContact CZ-CB 3.81Å; F94-D146 VanDerWaalsContact CZ-CG 3.47Å; F94-D146 WeakPolarHBondContact CZ-OD2 3.43Å; F94-P169 HydrophobicContact CD1-CB 4.33Å |
| 95 | Q | 95.2 | Very high | 96.4 | Very high | 118 Ų | 118 | 58.4 Ų | 58.4 | 55% | 0.551 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -77.3 | -22.5 | 174.6 | -61.9 | -58.9 | -49.9 | 0 | 0 | 113.1 | R90 | R90-Q95 WeakPolarHBondContact CD-O 3.42Å; R90-Q95 VanDerWaalsContact CG-O 3.3Å; R90-Q95 WeakPolarHBondContact CG-O 3.28Å; R90-Q95 PolarHBondContact NE-O 2.73Å |
| 96 | N | 96.1 | Very high | 96.5 | Very high | 67 Ų | 67 | 55 Ų | 55 | 36% | 0.358 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -116.8 | 121.8 | 170.9 | -177 | 44 | 0 | 0 | 0 | 108.4 | P169 G170 | N96-P169 WeakPolarHBondContact O-CA 3.04Å; N96-G170 WeakPolarHBondContact ND2-CA 3.34Å; N96-G170 PolarHBondContact ND2-O 3.48Å; N96-G170 PolarHBondContact O-N 3.4Å |
| 97 | V | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | trans | -127.7 | 117.1 | -179.5 | 173.9 | 0 | 0 | 0 | 0 | 109.1 | L68 R89 F94 N166 Y167 | L68-V97 HydrophobicContact CD2-CG1 3.8Å; L68-V97 HydrophobicContact CD2-CG2 3.87Å; R89-V97 HydrophobicContact CB-CB 3.75Å; R89-V97 HydrophobicContact CB-CG1 3.85Å; R89-V97 WeakPolarHBondContact CD-O 3.46Å; R89-V97 PolarHBondContact NH1-O 3.09Å; R89-V97 WeakPolarHBondContact O-CG2 3.43Å; F94-V97 HydrophobicContact CB-CG2 3.74Å; V97-N166 HydrophobicContact CG1-CB 3.69Å; V97-Y167 WeakPolarHBondContact CA-O 3.28Å | ||
| 98 | G | 97.8 | Very high | 97.1 | Very high | 8 Ų | 8 | 49.7 Ų | 49.7 | 8% | 0.082 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 156.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | N166 Y167 | G98-N166 CarbonylContact O-C 3.54Å; G98-N166 VanDerWaalsContact O-CA 3.27Å; G98-N166 WeakPolarHBondContact O-CA 3.37Å; G98-Y167 PolarHBondContact N-O 2.97Å; G98-Y167 PolarHBondContact O-N 3.38Å |
| 99 | Q | 97.9 | Very high | 97.2 | Very high | 15 Ų | 15 | 51 Ų | 51 | 7% | 0.07 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 135.6 | -178.4 | -171.4 | 171.6 | 81.1 | 0 | 0 | 110.7 | L75 H83 D84 V164 C165 N166 | L75-Q99 VanDerWaalsContact CD2-CD 3.41Å; L75-Q99 HydrophobicContact CD2-CG 4.5Å; H83-Q99 PolarHBondContact CE1-O 2.63Å; H83-Q99 PolarHBondContact ND1-OE1 3.36Å; D84-Q99 PolarHBondContact OD2-NE2 2.88Å; Q99-V164 HydrophobicContact CG-CG1 3.84Å; Q99-C165 CarbonylContact C-O 3.46Å; Q99-C165 VanDerWaalsContact CA-O 3.29Å; Q99-C165 WeakPolarHBondContact CA-O 3.23Å; Q99-N166 WeakPolarHBondContact CG-OD1 3.39Å; Q99-N166 PolarHBondContact NE2-OD1 3.45Å |
| 100 | T | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 151.3 | 167.3 | 60.5 | 0 | 0 | 0 | 0 | 108.9 | W114 N135 Q138 L139 V164 C165 Y167 | T100-W114 VanDerWaalsContact OG1-CH2 3.28Å; T100-W114 WeakPolarHBondContact OG1-CH2 3.19Å; T100-W114 VanDerWaalsContact OG1-CZ2 3.31Å; T100-W114 WeakPolarHBondContact OG1-CZ2 3.5Å; T100-N135 VanDerWaalsContact CA-OD1 3.29Å; T100-N135 WeakPolarHBondContact CA-OD1 3.44Å; T100-N135 WeakPolarHBondContact CB-OD1 3.07Å; T100-N135 HydrophobicContact CG2-CB 3.61Å; T100-N135 WeakPolarHBondContact CG2-OD1 3.17Å; T100-Q138 HydrophobicContact CG2-CB 4.26Å; T100-Q138 HydrophobicContact CG2-CG 4.24Å; T100-L139 HydrophobicContact CG2-CD1 4.12Å; T100-V164 VanDerWaalsContact O-CA 3.31Å; T100-V164 WeakPolarHBondContact O-CA 3.26Å; T100-C165 PolarHBondContact N-O 2.93Å; T100-C165 PolarHBondContact O-N 3.17Å; T100-C165 VanDerWaalsContact O-N 3.08Å; T100-C165 WeakPolarHBondContact OG1-CB 3.21Å; T100-Y167 HydrophobicContact CG2-CD2 4.46Å; T100-Y167 HydrophobicContact CG2-CE2 3.5Å; T100-Y167 WeakPolarHBondContact OG1-CE2 3.07Å; T100-Y167 PolarHBondContact OG1-OH 2.98Å; T100-Y167 VanDerWaalsContact OG1-OH 3.09Å |
| 101 | W | 97 | Very high | 97.3 | Very high | 40 Ų | 40 | 45.5 Ų | 45.5 | 15% | 0.152 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 139.1 | -178.8 | -176.6 | 107.5 | 0 | 0 | 0 | 109.3 | K80 S81 G103 W114 F157 V162 I163 V164 | K80-W101 VanDerWaalsContact O-CE2 3.31Å; K80-W101 WeakPolarHBondContact O-CZ2 3.31Å; K80-W101 PolarHBondContact O-NE1 3.32Å; S81-W101 VanDerWaalsContact CA-CZ2 3.49Å; S81-W101 VanDerWaalsContact OG-CH2 3.3Å; S81-W101 WeakPolarHBondContact OG-CH2 3.38Å; S81-W101 WeakPolarHBondContact OG-CZ3 3.18Å; W101-G103 VanDerWaalsContact CZ3-N 3.26Å; W101-W114 PolarHBondContact O-NE1 3.49Å; W101-F157 HydrophobicContact CH2-CD1 4.34Å; W101-F157 AromaticContact CH2-CE1 3.69Å; W101-F157 HydrophobicContact CH2-CE1 3.69Å; W101-F157 AromaticContact CZ2-CE1 3.78Å; W101-F157 HydrophobicContact CZ2-CE1 3.78Å; W101-F157 HydrophobicContact CZ2-CZ 4.3Å; W101-V162 HydrophobicContact CZ2-CG1 4.01Å; W101-V162 HydrophobicContact CZ2-CG2 3.96Å; W101-I163 WeakPolarHBondContact CA-O 3.06Å; W101-V164 HydrophobicContact CG-CG2 4.29Å |
| 102 | V | 96.7 | Very high | 97.4 | Very high | 18 Ų | 18 | 50.5 Ų | 50.5 | 11% | 0.109 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 136.2 | 169 | 67 | 0 | 0 | 0 | 0 | 112 | T104 A110 L113 W114 I163 | V102-T104 HydrophobicContact CG1-CG2 4.13Å; V102-A110 HydrophobicContact CG1-CB 3.4Å; V102-L113 HydrophobicContact CG2-CD1 3.79Å; V102-W114 HydrophobicContact CB-CZ2 4.15Å; V102-W114 HydrophobicContact CG1-CH2 4.38Å; V102-W114 HydrophobicContact CG1-CZ2 3.52Å; V102-I163 HydrophobicContact CG1-CB 4.33Å; V102-I163 PolarHBondContact N-O 2.99Å; V102-I163 PolarHBondContact O-N 3.14Å |
| 103 | G | 96.6 | Very high | 97.4 | Very high | 18 Ų | 18 | 48 Ų | 48 | 19% | 0.186 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 118.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | W101 L161 | W101-G103 VanDerWaalsContact CZ3-N 3.26Å; G103-L161 CarbonylContact C-O 3.38Å; G103-L161 WeakPolarHBondContact CA-O 3.34Å |
| 104 | T | 96.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | -175.6 | 179.2 | -169.1 | 0 | 0 | 0 | 0 | 111.2 | V102 T106 R109 A110 T159 L161 I163 | V102-T104 HydrophobicContact CG1-CG2 4.13Å; T104-T106 WeakPolarHBondContact CG2-O 3.42Å; T104-R109 HydrophobicContact CG2-CB 4.44Å; T104-R109 WeakPolarHBondContact OG1-CB 3.31Å; T104-R109 WeakPolarHBondContact OG1-CD 3.39Å; T104-R109 WeakPolarHBondContact OG1-CG 3.23Å; T104-A110 HydrophobicContact CG2-CB 3.79Å; T104-T159 VanDerWaalsContact C-CB 3.49Å; T104-T159 CarbonylContact C-O 3.49Å; T104-T159 VanDerWaalsContact CA-CB 3.46Å; T104-T159 PolarHBondContact N-OG1 2.75Å; T104-T159 CarbonylContact O-C 3.4Å; T104-T159 WeakPolarHBondContact O-CB 3.17Å; T104-L161 PolarHBondContact N-O 3.27Å; T104-L161 WeakPolarHBondContact O-CA 3.26Å; T104-L161 WeakPolarHBondContact O-CB 3.17Å; T104-L161 PolarHBondContact O-N 3.37Å; T104-L161 VanDerWaalsContact O-N 3.14Å; T104-I163 HydrophobicContact CG2-CD1 3.48Å; T104-I163 VanDerWaalsContact CG2-CD1 3.48Å |
| 105 | Y | 96.1 | Very high | 97.5 | Very high | 127 Ų | 127 | 44 Ų | 44 | 50% | 0.498 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -94.6 | -24.9 | -175.3 | -57.4 | -77.5 | 0 | 0 | 0 | 113.6 | T159 | Y105-T159 WeakPolarHBondContact CD1-O 3.32Å; Y105-T159 HydrophobicContact CE1-CG2 4.48Å; Y105-T159 HydrophobicContact CE2-CG2 4.27Å |
| 106 | T | 97.3 | Very high | 97.6 | Very high | 67 Ų | 67 | 40.8 Ų | 40.8 | 41% | 0.411 | 20% | 0.2 | S | C | . | . | trans | -145.7 | 154.2 | -177.6 | 68 | 0 | 0 | 0 | 0 | 110.7 | T104 E108 R109 A110 | T104-T106 WeakPolarHBondContact CG2-O 3.42Å; T106-E108 VanDerWaalsContact C-N 3.25Å; T106-E108 PolarHBondContact O-N 2.92Å; T106-R109 PolarHBondContact O-N 3.43Å; T106-R109 VanDerWaalsContact OG1-CB 3.31Å; T106-R109 WeakPolarHBondContact OG1-CB 3.42Å; T106-R109 PolarHBondContact OG1-N 3.46Å; T106-R109 VanDerWaalsContact OG1-N 3.1Å; T106-A110 PolarHBondContact O-N 3.25Å; T106-A110 VanDerWaalsContact O-N 3.13Å | ||
| 107 | V | 98.2 | Very high | 97.7 | Very high | 11 Ų | 11 | 38.3 Ų | 38.3 | 7% | 0.067 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.2 | -34.2 | 175.2 | -61.3 | 0 | 0 | 0 | 0 | 112.1 | I30 Q33 L34 R109 A110 V111 V151 L161 I163 | I30-V107 HydrophobicContact CG2-CG1 3.91Å; Q33-V107 HydrophobicContact CG-CG2 4.45Å; Q33-V107 VanDerWaalsContact OE1-CG2 3.24Å; L34-V107 HydrophobicContact CD2-CB 3.97Å; L34-V107 HydrophobicContact CG-CB 4.24Å; V107-R109 PolarHBondContact O-N 3.02Å; V107-A110 WeakPolarHBondContact O-CB 2.96Å; V107-A110 PolarHBondContact O-N 3.13Å; V107-V111 PolarHBondContact O-N 3.35Å; V107-V151 HydrophobicContact CG1-CG1 3.98Å; V107-V151 HydrophobicContact CG1-CG2 3.8Å; V107-L161 HydrophobicContact CG1-CD2 4.17Å; V107-I163 HydrophobicContact CG1-CG1 4.24Å |
| 108 | E | 98.3 | Very high | 97.6 | Very high | 77 Ų | 77 | 38.5 Ų | 38.5 | 36% | 0.36 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.3 | -44.5 | 174.2 | -172.9 | -164.4 | 149.3 | 0 | 0 | 111.7 | M37 T106 A110 V111 K112 | M37-E108 HydrophobicContact CE-CB 4.12Å; M37-E108 HydrophobicContact CE-CG 3.51Å; M37-E108 WeakPolarHBondContact CE-O 3.28Å; M37-E108 HydrophobicContact SD-CB 4.09Å; M37-E108 HydrophobicContact SD-CG 3.94Å; T106-E108 VanDerWaalsContact C-N 3.25Å; T106-E108 PolarHBondContact O-N 2.92Å; E108-A110 PolarHBondContact O-N 3.14Å; E108-V111 PolarHBondContact O-N 2.83Å; E108-K112 HydrophobicContact CG-CD 4.24Å; E108-K112 WeakPolarHBondContact O-CG 3.06Å; E108-K112 PolarHBondContact O-N 3.45Å; E108-K112 WeakPolarHBondContact OE1-CE 3.42Å; E108-K112 IonicContact OE1-NZ 2.7Å; E108-K112 PolarHBondContact OE1-NZ 2.79Å |
| 109 | R | 98 | Very high | 97.6 | Very high | 128 Ų | 128 | 42.4 Ų | 42.4 | 48% | 0.483 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.1 | -30.6 | 178.6 | -171 | 173.9 | 172.2 | 92.5 | 4.6 | 111.3 | T104 T106 V107 K112 L113 | T104-R109 HydrophobicContact CG2-CB 4.44Å; T104-R109 WeakPolarHBondContact OG1-CB 3.31Å; T104-R109 WeakPolarHBondContact OG1-CD 3.39Å; T104-R109 WeakPolarHBondContact OG1-CG 3.23Å; T106-R109 PolarHBondContact O-N 3.43Å; T106-R109 VanDerWaalsContact OG1-CB 3.31Å; T106-R109 WeakPolarHBondContact OG1-CB 3.42Å; T106-R109 PolarHBondContact OG1-N 3.46Å; T106-R109 VanDerWaalsContact OG1-N 3.1Å; V107-R109 PolarHBondContact O-N 3.02Å; R109-K112 PolarHBondContact O-N 3.31Å; R109-L113 HydrophobicContact CG-CD1 4.06Å; R109-L113 HydrophobicContact CG-CG 4.24Å; R109-L113 WeakPolarHBondContact O-CB 3.34Å; R109-L113 WeakPolarHBondContact O-CG 3.29Å; R109-L113 PolarHBondContact O-N 3.42Å |
| 110 | A | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.2 | -55.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111 | V102 T104 T106 V107 E108 K112 L113 W114 I163 | V102-A110 HydrophobicContact CG1-CB 3.4Å; T104-A110 HydrophobicContact CG2-CB 3.79Å; T106-A110 PolarHBondContact O-N 3.25Å; T106-A110 VanDerWaalsContact O-N 3.13Å; V107-A110 WeakPolarHBondContact O-CB 2.96Å; V107-A110 PolarHBondContact O-N 3.13Å; E108-A110 PolarHBondContact O-N 3.14Å; A110-K112 VanDerWaalsContact C-N 3.32Å; A110-K112 PolarHBondContact O-N 2.84Å; A110-L113 PolarHBondContact O-N 3.15Å; A110-L113 VanDerWaalsContact O-N 3.14Å; A110-W114 HydrophobicContact CB-CH2 4.32Å; A110-W114 HydrophobicContact CB-CZ3 4.48Å; A110-W114 PolarHBondContact O-N 3.1Å; A110-W114 VanDerWaalsContact O-N 3.08Å; A110-I163 HydrophobicContact CB-CB 4.03Å; A110-I163 HydrophobicContact CB-CD1 4.16Å; A110-I163 HydrophobicContact CB-CG1 4.01Å; A110-I163 HydrophobicContact CB-CG2 4.21Å |
| 111 | V | 98.4 | Very high | 97.5 | Very high | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.012 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.8 | -36.9 | 179.9 | -175.4 | 0 | 0 | 0 | 0 | 111.5 | L34 M37 V41 V107 E108 L113 W114 F115 L139 | L34-V111 HydrophobicContact CD2-CG2 3.79Å; M37-V111 HydrophobicContact CB-CB 4.21Å; M37-V111 HydrophobicContact CB-CG1 3.91Å; M37-V111 HydrophobicContact CB-CG2 4.18Å; M37-V111 HydrophobicContact CE-CB 3.91Å; M37-V111 HydrophobicContact CE-CG1 4.36Å; M37-V111 HydrophobicContact SD-CB 4.44Å; M37-V111 HydrophobicContact SD-CG2 4.49Å; V41-V111 HydrophobicContact CG2-CG1 4.31Å; V107-V111 PolarHBondContact O-N 3.35Å; E108-V111 PolarHBondContact O-N 2.83Å; V111-L113 PolarHBondContact O-N 3Å; V111-W114 HydrophobicContact CG2-CE3 4.34Å; V111-W114 HydrophobicContact CG2-CZ3 4.26Å; V111-W114 PolarHBondContact O-N 3.06Å; V111-F115 VanDerWaalsContact O-CB 3.26Å; V111-F115 WeakPolarHBondContact O-CB 3.33Å; V111-F115 PolarHBondContact O-N 3.17Å; V111-L139 HydrophobicContact CG1-CD2 4.28Å |
| 112 | K | 98.2 | Very high | 97.5 | Very high | 113 Ų | 113 | 48.3 Ų | 48.3 | 49% | 0.491 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.7 | -37.6 | 174 | -75.7 | 179.6 | 170.6 | -179.9 | 0 | 113.1 | M37 E108 R109 A110 S116 | M37-K112 HydrophobicContact CE-CG 4.34Å; E108-K112 HydrophobicContact CG-CD 4.24Å; E108-K112 WeakPolarHBondContact O-CG 3.06Å; E108-K112 PolarHBondContact O-N 3.45Å; E108-K112 WeakPolarHBondContact OE1-CE 3.42Å; E108-K112 IonicContact OE1-NZ 2.7Å; E108-K112 PolarHBondContact OE1-NZ 2.79Å; R109-K112 PolarHBondContact O-N 3.31Å; A110-K112 VanDerWaalsContact C-N 3.32Å; A110-K112 PolarHBondContact O-N 2.84Å; K112-S116 WeakPolarHBondContact O-CB 3.06Å; K112-S116 PolarHBondContact O-N 3.49Å; K112-S116 PolarHBondContact O-OG 2.99Å |
| 113 | L | 97.7 | Very high | 97.5 | Very high | 55 Ų | 55 | 48.1 Ų | 48.1 | 29% | 0.288 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.1 | -51.2 | 176.4 | -75.9 | 167.8 | 0 | 0 | 0 | 110.1 | V102 R109 A110 V111 F115 S116 E117 | V102-L113 HydrophobicContact CG2-CD1 3.79Å; R109-L113 HydrophobicContact CG-CD1 4.06Å; R109-L113 HydrophobicContact CG-CG 4.24Å; R109-L113 WeakPolarHBondContact O-CB 3.34Å; R109-L113 WeakPolarHBondContact O-CG 3.29Å; R109-L113 PolarHBondContact O-N 3.42Å; A110-L113 PolarHBondContact O-N 3.15Å; A110-L113 VanDerWaalsContact O-N 3.14Å; V111-L113 PolarHBondContact O-N 3Å; L113-F115 VanDerWaalsContact C-N 3.32Å; L113-F115 PolarHBondContact O-N 3.17Å; L113-S116 PolarHBondContact O-N 3.39Å; L113-S116 VanDerWaalsContact O-N 3.13Å; L113-S116 PolarHBondContact O-OG 3.25Å; L113-E117 PolarHBondContact O-N 3.4Å |
| 114 | W | 98.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 0% | 0.004 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.4 | -38.4 | 176.1 | -58.1 | -35.2 | 0 | 0 | 0 | 112.7 | T100 W101 V102 A110 V111 E117 N135 Y136 L139 I163 C165 | T100-W114 VanDerWaalsContact OG1-CH2 3.28Å; T100-W114 WeakPolarHBondContact OG1-CH2 3.19Å; T100-W114 VanDerWaalsContact OG1-CZ2 3.31Å; T100-W114 WeakPolarHBondContact OG1-CZ2 3.5Å; W101-W114 PolarHBondContact O-NE1 3.49Å; V102-W114 HydrophobicContact CB-CZ2 4.15Å; V102-W114 HydrophobicContact CG1-CH2 4.38Å; V102-W114 HydrophobicContact CG1-CZ2 3.52Å; A110-W114 HydrophobicContact CB-CH2 4.32Å; A110-W114 HydrophobicContact CB-CZ3 4.48Å; A110-W114 PolarHBondContact O-N 3.1Å; A110-W114 VanDerWaalsContact O-N 3.08Å; V111-W114 HydrophobicContact CG2-CE3 4.34Å; V111-W114 HydrophobicContact CG2-CZ3 4.26Å; V111-W114 PolarHBondContact O-N 3.06Å; W114-E117 VanDerWaalsContact O-CB 3.32Å; W114-E117 WeakPolarHBondContact O-CB 3.4Å; W114-E117 PolarHBondContact O-N 3.47Å; W114-N135 HydrophobicContact CB-CB 3.87Å; W114-N135 HydrophobicContact CD2-CB 4.5Å; W114-N135 HydrophobicContact CG-CB 3.65Å; W114-Y136 WeakPolarHBondContact O-CB 3.29Å; W114-L139 HydrophobicContact CB-CD1 3.8Å; W114-L139 HydrophobicContact CB-CD2 3.88Å; W114-L139 HydrophobicContact CD2-CD1 4.43Å; W114-L139 HydrophobicContact CE3-CD1 4.19Å; W114-L139 HydrophobicContact CG-CD1 4.33Å; W114-I163 HydrophobicContact CH2-CG2 3.92Å; W114-C165 HydrophobicContact CH2-CB 4.18Å; W114-C165 HydrophobicContact CZ3-CB 4.33Å |
| 115 | F | 98.3 | Very high | 97.3 | Very high | 55 Ų | 55 | 56.8 Ų | 56.8 | 24% | 0.241 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.4 | -41.2 | 174.3 | 173.6 | -115.4 | 0 | 0 | 0 | 112.1 | V41 L44 I50 V111 L113 E117 A118 | V41-F115 HydrophobicContact CB-CD2 4.43Å; V41-F115 HydrophobicContact CG1-CD2 3.77Å; V41-F115 HydrophobicContact CG1-CE2 4.31Å; V41-F115 HydrophobicContact CG2-CB 4.14Å; V41-F115 HydrophobicContact CG2-CD2 3.88Å; V41-F115 HydrophobicContact CG2-CG 4.14Å; L44-F115 HydrophobicContact CD1-CE2 4.23Å; L44-F115 HydrophobicContact CD1-CZ 4Å; I50-F115 HydrophobicContact CB-CE2 4.46Å; I50-F115 HydrophobicContact CD1-CE2 3.95Å; I50-F115 HydrophobicContact CG1-CE2 3.89Å; I50-F115 HydrophobicContact CG1-CZ 4.4Å; I50-F115 HydrophobicContact CG2-CE2 3.9Å; I50-F115 HydrophobicContact CG2-CZ 4.26Å; V111-F115 VanDerWaalsContact O-CB 3.26Å; V111-F115 WeakPolarHBondContact O-CB 3.33Å; V111-F115 PolarHBondContact O-N 3.17Å; L113-F115 VanDerWaalsContact C-N 3.32Å; L113-F115 PolarHBondContact O-N 3.17Å; F115-E117 PolarHBondContact O-N 3.08Å; F115-E117 VanDerWaalsContact O-N 3.17Å; F115-A118 WeakPolarHBondContact O-CB 3.37Å; F115-A118 PolarHBondContact O-N 3.37Å |
| 116 | S | 97.6 | Very high | 97.2 | Very high | 52 Ų | 52 | 53 Ų | 53 | 36% | 0.364 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.4 | -22.4 | -178.3 | 70.6 | 0 | 0 | 0 | 0 | 112.9 | K112 L113 A118 M119 | K112-S116 WeakPolarHBondContact O-CB 3.06Å; K112-S116 PolarHBondContact O-N 3.49Å; K112-S116 PolarHBondContact O-OG 2.99Å; L113-S116 PolarHBondContact O-N 3.39Å; L113-S116 VanDerWaalsContact O-N 3.13Å; L113-S116 PolarHBondContact O-OG 3.25Å; S116-A118 PolarHBondContact O-N 3.22Å; S116-A118 VanDerWaalsContact O-N 3.11Å; S116-M119 WeakPolarHBondContact O-CG 3.2Å; S116-M119 PolarHBondContact O-N 3.13Å; S116-M119 VanDerWaalsContact O-N 3.09Å |
| 117 | E | 97.9 | Very high | 97.1 | Very high | 14 Ų | 14 | 54.8 Ų | 54.8 | 7% | 0.065 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -57.5 | -20.8 | 172 | -68.5 | 169.9 | -157.3 | 0 | 0 | 114.3 | L113 W114 F115 M119 Y120 Y121 T132 C133 N135 Y136 | L113-E117 PolarHBondContact O-N 3.4Å; W114-E117 VanDerWaalsContact O-CB 3.32Å; W114-E117 WeakPolarHBondContact O-CB 3.4Å; W114-E117 PolarHBondContact O-N 3.47Å; F115-E117 PolarHBondContact O-N 3.08Å; F115-E117 VanDerWaalsContact O-N 3.17Å; E117-M119 PolarHBondContact O-N 3.46Å; E117-Y120 PolarHBondContact O-N 3.37Å; E117-Y121 PolarHBondContact O-N 3.1Å; E117-T132 WeakPolarHBondContact CG-O 3.36Å; E117-C133 HydrophobicContact CB-CB 3.71Å; E117-C133 HydrophobicContact CG-CB 4.15Å; E117-C133 WeakPolarHBondContact OE2-CA 3.45Å; E117-N135 PolarHBondContact OE1-ND2 2.9Å; E117-N135 VanDerWaalsContact OE2-CA 3.29Å; E117-N135 WeakPolarHBondContact OE2-CA 3.38Å; E117-N135 WeakPolarHBondContact OE2-CB 3.4Å; E117-N135 PolarHBondContact OE2-N 3.43Å; E117-N135 PolarHBondContact OE2-ND2 3.14Å; E117-Y136 PolarHBondContact OE2-N 3.38Å |
| 118 | A | 97.5 | Very high | 96.9 | Very high | 5 Ų | 5 | 56.7 Ų | 56.7 | 4% | 0.041 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -52.6 | -26.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113 | I50 Q53 F115 S116 Y120 Y136 | I50-A118 HydrophobicContact CG2-CB 3.8Å; Q53-A118 HydrophobicContact CG-CB 4.3Å; Q53-A118 PolarHBondContact NE2-O 3.2Å; F115-A118 WeakPolarHBondContact O-CB 3.37Å; F115-A118 PolarHBondContact O-N 3.37Å; S116-A118 PolarHBondContact O-N 3.22Å; S116-A118 VanDerWaalsContact O-N 3.11Å; A118-Y120 VanDerWaalsContact C-N 3.25Å; A118-Y120 PolarHBondContact O-N 2.9Å; A118-Y136 HydrophobicContact CB-CD1 3.95Å; A118-Y136 HydrophobicContact CB-CD2 3.66Å; A118-Y136 HydrophobicContact CB-CE1 3.89Å; A118-Y136 HydrophobicContact CB-CE2 3.61Å; A118-Y136 HydrophobicContact CB-CG 3.83Å |
| 119 | M | 96.7 | Very high | 96.7 | Very high | 90 Ų | 90 | 57.5 Ų | 57.5 | 44% | 0.443 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -69.5 | -23.2 | 176.3 | 73.8 | -169.9 | -79.2 | 0 | 0 | 114.1 | S116 E117 | S116-M119 WeakPolarHBondContact O-CG 3.2Å; S116-M119 PolarHBondContact O-N 3.13Å; S116-M119 VanDerWaalsContact O-N 3.09Å; E117-M119 PolarHBondContact O-N 3.46Å |
| 120 | Y | 96.9 | Very high | 96.4 | Very high | 93 Ų | 93 | 53.1 Ų | 53.1 | 37% | 0.365 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -10 | -175.8 | -54.5 | -66 | 0 | 0 | 0 | 112.8 | E117 A118 S129 | E117-Y120 PolarHBondContact O-N 3.37Å; A118-Y120 VanDerWaalsContact C-N 3.25Å; A118-Y120 PolarHBondContact O-N 2.9Å; Y120-S129 VanDerWaalsContact CA-OG 3.3Å; Y120-S129 WeakPolarHBondContact CA-OG 3.43Å; Y120-S129 WeakPolarHBondContact CB-OG 3.39Å; Y120-S129 WeakPolarHBondContact O-CB 3.31Å; Y120-S129 PolarHBondContact O-N 3.22Å; Y120-S129 PolarHBondContact O-OG 3.48Å |
| 121 | Y | 97.4 | Very high | 95.6 | Very high | 10 Ų | 10 | 58.4 Ų | 58.4 | 4% | 0.039 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 123.4 | 178.1 | 176.1 | -102 | 0 | 0 | 0 | 111 | Q53 E117 F123 N126 Y136 P137 P178 | Q53-Y121 PolarHBondContact NE2-O 3.18Å; E117-Y121 PolarHBondContact O-N 3.1Å; Y121-F123 HydrophobicContact CE1-CB 4.19Å; Y121-F123 HydrophobicContact CE1-CD2 4.11Å; Y121-F123 HydrophobicContact CE1-CG 4.5Å; Y121-N126 WeakPolarHBondContact CE2-OD1 3.34Å; Y121-N126 PolarHBondContact OH-OD1 2.76Å; Y121-Y136 AromaticContact CD1-CD1 3.89Å; Y121-Y136 HydrophobicContact CD1-CD1 3.89Å; Y121-Y136 AromaticContact CD1-CE1 3.79Å; Y121-Y136 HydrophobicContact CD1-CE1 3.79Å; Y121-Y136 HydrophobicContact CE1-CE1 4.48Å; Y121-Y136 HydrophobicContact CG-CD1 4.11Å; Y121-Y136 HydrophobicContact CG-CE1 4.46Å; Y121-P137 HydrophobicContact CD1-CG 4.27Å; Y121-P137 HydrophobicContact CD2-CG 3.54Å; Y121-P137 HydrophobicContact CE1-CG 4.33Å; Y121-P137 HydrophobicContact CE2-CG 3.63Å; Y121-P137 HydrophobicContact CG-CG 3.89Å; Y121-P178 HydrophobicContact CE1-CG 4.05Å; Y121-P178 WeakPolarHBondContact OH-CD 3.28Å |
| 122 | N | 96.6 | Very high | 95 | Very high | 77 Ų | 77 | 62.5 Ų | 62.5 | 41% | 0.412 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 108.3 | 174.9 | -179.9 | -51.1 | 0 | 0 | 0 | 109.8 | N124 T125 N126 I127 | N122-N124 PolarHBondContact O-N 3.49Å; N122-N124 PolarHBondContact OD1-N 3.39Å; N122-N124 VanDerWaalsContact OD1-N 3.1Å; N122-T125 VanDerWaalsContact CB-OG1 3.28Å; N122-T125 WeakPolarHBondContact CB-OG1 3.19Å; N122-T125 PolarHBondContact O-N 2.75Å; N122-T125 PolarHBondContact O-OG1 3.28Å; N122-T125 PolarHBondContact OD1-N 3.26Å; N122-T125 PolarHBondContact OD1-OG1 3.14Å; N122-N126 WeakPolarHBondContact O-CA 3.49Å; N122-N126 PolarHBondContact O-N 3.38Å; N122-I127 PolarHBondContact N-O 3.38Å; N122-I127 PolarHBondContact O-N 2.76Å |
| 123 | F | 96.8 | Very high | 94.7 | Very high | 13 Ų | 13 | 57.1 Ų | 57.1 | 6% | 0.057 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -45.3 | -177.8 | -167.5 | -82.8 | 0 | 0 | 0 | 113.3 | P54 Y121 T125 N126 R177 Y179 T181 | P54-F123 HydrophobicContact CG-CB 4.09Å; P54-F123 HydrophobicContact CG-CD1 3.49Å; P54-F123 VanDerWaalsContact CG-CD1 3.49Å; P54-F123 HydrophobicContact CG-CD2 3.71Å; P54-F123 HydrophobicContact CG-CE1 3.71Å; P54-F123 HydrophobicContact CG-CE2 3.92Å; P54-F123 HydrophobicContact CG-CG 3.47Å; P54-F123 VanDerWaalsContact CG-CG 3.47Å; P54-F123 HydrophobicContact CG-CZ 3.89Å; Y121-F123 HydrophobicContact CE1-CB 4.19Å; Y121-F123 HydrophobicContact CE1-CD2 4.11Å; Y121-F123 HydrophobicContact CE1-CG 4.5Å; F123-T125 VanDerWaalsContact C-N 3.31Å; F123-T125 PolarHBondContact O-N 3.39Å; F123-N126 PolarHBondContact O-N 3.36Å; F123-R177 HydrophobicContact CE1-CB 3.99Å; F123-R177 HydrophobicContact CE1-CG 4Å; F123-R177 HydrophobicContact CE2-CB 4.31Å; F123-R177 HydrophobicContact CZ-CB 3.76Å; F123-R177 HydrophobicContact CZ-CG 4.29Å; F123-R177 WeakPolarHBondContact O-CD 3.46Å; F123-R177 PolarHBondContact O-NE 3.35Å; F123-Y179 HydrophobicContact CD2-CE1 4.38Å; F123-Y179 HydrophobicContact CD2-CE2 4.27Å; F123-Y179 AromaticContact CD2-CZ 4Å; F123-Y179 HydrophobicContact CE2-CD1 4.08Å; F123-Y179 AromaticContact CE2-CD2 3.72Å; F123-Y179 HydrophobicContact CE2-CD2 3.72Å; F123-Y179 AromaticContact CE2-CE1 3.77Å; F123-Y179 HydrophobicContact CE2-CE1 3.77Å; F123-Y179 AromaticContact CE2-CE2 3.42Å; F123-Y179 HydrophobicContact CE2-CE2 3.42Å; F123-Y179 VanDerWaalsContact CE2-CE2 3.42Å; F123-Y179 HydrophobicContact CE2-CG 4.07Å; F123-Y179 AromaticContact CE2-CZ 3.46Å; F123-Y179 VanDerWaalsContact CE2-CZ 3.46Å; F123-Y179 AromaticContact CZ-CD2 3.85Å; F123-Y179 HydrophobicContact CZ-CD2 3.85Å; F123-Y179 AromaticContact CZ-CE2 3.81Å; F123-Y179 HydrophobicContact CZ-CE2 3.81Å; F123-Y179 HydrophobicContact CZ-CG 4.41Å; F123-Y179 VanDerWaalsContact CZ-O 3.25Å; F123-Y179 WeakPolarHBondContact CZ-O 3.38Å; F123-T181 HydrophobicContact CD1-CG2 4.2Å; F123-T181 HydrophobicContact CE1-CG2 3.29Å; F123-T181 HydrophobicContact CE2-CG2 4.28Å; F123-T181 HydrophobicContact CZ-CG2 3.32Å |
| 124 | N | 94.2 | Very high | 94.5 | Very high | 133 Ų | 133 | 56.2 Ų | 56.2 | 71% | 0.711 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -34.8 | -174.1 | -67.7 | -20.7 | 0 | 0 | 0 | 112.5 | N122 R177 | N122-N124 PolarHBondContact O-N 3.49Å; N122-N124 PolarHBondContact OD1-N 3.39Å; N122-N124 VanDerWaalsContact OD1-N 3.1Å; N124-R177 PolarHBondContact O-NH2 2.99Å |
| 125 | T | 94.8 | Very high | 94.4 | Very high | 70 Ų | 70 | 57.2 Ų | 57.2 | 43% | 0.429 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -13.8 | -178.4 | 58.2 | 0 | 0 | 0 | 0 | 113.5 | N122 F123 I127 | N122-T125 VanDerWaalsContact CB-OG1 3.28Å; N122-T125 WeakPolarHBondContact CB-OG1 3.19Å; N122-T125 PolarHBondContact O-N 2.75Å; N122-T125 PolarHBondContact O-OG1 3.28Å; N122-T125 PolarHBondContact OD1-N 3.26Å; N122-T125 PolarHBondContact OD1-OG1 3.14Å; F123-T125 VanDerWaalsContact C-N 3.31Å; F123-T125 PolarHBondContact O-N 3.39Å; T125-I127 PolarHBondContact O-N 2.83Å; T125-I127 WeakPolarHBondContact OG1-CB 3.08Å; T125-I127 PolarHBondContact OG1-N 2.7Å |
| 126 | N | 94.8 | Very high | 94.4 | Very high | 48 Ų | 48 | 54.6 Ų | 54.6 | 26% | 0.257 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 31.4 | -169.1 | -162.8 | 28.6 | 0 | 0 | 0 | 113 | Y121 N122 F123 Q176 | Y121-N126 WeakPolarHBondContact CE2-OD1 3.34Å; Y121-N126 PolarHBondContact OH-OD1 2.76Å; N122-N126 WeakPolarHBondContact O-CA 3.49Å; N122-N126 PolarHBondContact O-N 3.38Å; F123-N126 PolarHBondContact O-N 3.36Å; N126-Q176 PolarHBondContact ND2-O 3.19Å; N126-Q176 VanDerWaalsContact ND2-O 3.15Å |
| 127 | I | 94.4 | Very high | 94.4 | Very high | 103 Ų | 103 | 52.3 Ų | 52.3 | 53% | 0.528 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 136.1 | -176.5 | -65.6 | 174.3 | 0 | 0 | 0 | 110.5 | N122 T125 | N122-I127 PolarHBondContact N-O 3.38Å; N122-I127 PolarHBondContact O-N 2.76Å; T125-I127 PolarHBondContact O-N 2.83Å; T125-I127 WeakPolarHBondContact OG1-CB 3.08Å; T125-I127 PolarHBondContact OG1-N 2.7Å |
| 128 | C | 94.5 | Very high | 94.4 | Very high | 51 Ų | 51 | 51.8 Ų | 51.8 | 35% | 0.345 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 114.4 | 170.4 | -106.2 | 0 | 0 | 0 | 0 | 111.1 | S130 C133 | C128-S130 VanDerWaalsContact C-N 3.29Å; C128-C133 WeakPolarHBondContact CA-SG 3.4Å; C128-C133 HydrophobicContact CB-CB 4.37Å; C128-C133 WeakPolarHBondContact CB-SG 3.18Å; C128-C133 WeakPolarHBondContact SG-CA 3.34Å; C128-C133 WeakPolarHBondContact SG-CB 3.42Å; C128-C133 PolarHBondContact SG-O 2.77Å; C128-C133 VanDerWaalsContact SG-O 3.36Å; C128-C133 CovalentContact SG-SG 2.02Å; C128-C133 PolarHBondContact SG-SG 3.07Å |
| 129 | S | 94.1 | Very high | 94.5 | Very high | 95 Ų | 95 | 51.5 Ų | 51.5 | 66% | 0.664 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -78.2 | -13.6 | 177.1 | 60.7 | 0 | 0 | 0 | 0 | 113.7 | Y120 | Y120-S129 VanDerWaalsContact CA-OG 3.3Å; Y120-S129 WeakPolarHBondContact CA-OG 3.43Å; Y120-S129 WeakPolarHBondContact CB-OG 3.39Å; Y120-S129 WeakPolarHBondContact O-CB 3.31Å; Y120-S129 PolarHBondContact O-N 3.22Å; Y120-S129 PolarHBondContact O-OG 3.48Å |
| 130 | S | 90.2 | Very high | 94.5 | Very high | 35 Ų | 35 | 47.2 Ų | 47.2 | 25% | 0.245 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -114.4 | 146 | 170.5 | 175 | 0 | 0 | 0 | 0 | 109.1 | C128 T132 C133 | C128-S130 VanDerWaalsContact C-N 3.29Å; S130-T132 PolarHBondContact O-N 3.19Å; S130-T132 PolarHBondContact OG-N 3.34Å; S130-T132 PolarHBondContact OG-OG1 3.46Å; S130-C133 PolarHBondContact O-N 3.45Å; S130-C133 PolarHBondContact O-SG 3.01Å |
| 131 | A | 83.3 | Confident | 94.6 | Very high | 112 Ų | 112 | 43 Ų | 43 | 93% | 0.926 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -18.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 132 | T | 84.1 | Confident | 94.6 | Very high | 87 Ų | 87 | 43.8 Ų | 43.8 | 53% | 0.534 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | 11.8 | -171.5 | 66.8 | 0 | 0 | 0 | 0 | 114.6 | E117 S130 G134 | E117-T132 WeakPolarHBondContact CG-O 3.36Å; S130-T132 PolarHBondContact O-N 3.19Å; S130-T132 PolarHBondContact OG-N 3.34Å; S130-T132 PolarHBondContact OG-OG1 3.46Å; T132-G134 VanDerWaalsContact C-N 3.34Å; T132-G134 PolarHBondContact O-N 3.06Å |
| 133 | C | 92.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 11.2 | -176.9 | 59.9 | 0 | 0 | 0 | 0 | 117 | E117 C128 S130 N135 P137 | E117-C133 HydrophobicContact CB-CB 3.71Å; E117-C133 HydrophobicContact CG-CB 4.15Å; E117-C133 WeakPolarHBondContact OE2-CA 3.45Å; C128-C133 WeakPolarHBondContact CA-SG 3.4Å; C128-C133 HydrophobicContact CB-CB 4.37Å; C128-C133 WeakPolarHBondContact CB-SG 3.18Å; C128-C133 WeakPolarHBondContact SG-CA 3.34Å; C128-C133 WeakPolarHBondContact SG-CB 3.42Å; C128-C133 PolarHBondContact SG-O 2.77Å; C128-C133 VanDerWaalsContact SG-O 3.36Å; C128-C133 CovalentContact SG-SG 2.02Å; C128-C133 PolarHBondContact SG-SG 3.07Å; S130-C133 PolarHBondContact O-N 3.45Å; S130-C133 PolarHBondContact O-SG 3.01Å; C133-N135 VanDerWaalsContact C-N 3.25Å; C133-N135 PolarHBondContact O-N 2.96Å; C133-P137 WeakPolarHBondContact O-CD 3.4Å |
| 134 | G | 93.4 | Very high | 94.8 | Very high | 36 Ų | 36 | 44 Ų | 44 | 37% | 0.371 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -14.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | T132 N172 | T132-G134 VanDerWaalsContact C-N 3.34Å; T132-G134 PolarHBondContact O-N 3.06Å; G134-N172 PolarHBondContact O-ND2 2.99Å |
| 135 | N | 97 | Very high | 95 | Very high | 22 Ų | 22 | 40.3 Ų | 40.3 | 12% | 0.118 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -78.1 | -40.9 | 179.5 | -53.6 | -75.4 | 0 | 0 | 0 | 110.9 | T100 W114 E117 C133 Q138 L139 | T100-N135 VanDerWaalsContact CA-OD1 3.29Å; T100-N135 WeakPolarHBondContact CA-OD1 3.44Å; T100-N135 WeakPolarHBondContact CB-OD1 3.07Å; T100-N135 HydrophobicContact CG2-CB 3.61Å; T100-N135 WeakPolarHBondContact CG2-OD1 3.17Å; W114-N135 HydrophobicContact CB-CB 3.87Å; W114-N135 HydrophobicContact CD2-CB 4.5Å; W114-N135 HydrophobicContact CG-CB 3.65Å; E117-N135 PolarHBondContact OE1-ND2 2.9Å; E117-N135 VanDerWaalsContact OE2-CA 3.29Å; E117-N135 WeakPolarHBondContact OE2-CA 3.38Å; E117-N135 WeakPolarHBondContact OE2-CB 3.4Å; E117-N135 PolarHBondContact OE2-N 3.43Å; E117-N135 PolarHBondContact OE2-ND2 3.14Å; C133-N135 VanDerWaalsContact C-N 3.25Å; C133-N135 PolarHBondContact O-N 2.96Å; N135-Q138 WeakPolarHBondContact O-CB 3.11Å; N135-Q138 PolarHBondContact O-N 3.49Å; N135-L139 WeakPolarHBondContact O-CD1 3.45Å; N135-L139 PolarHBondContact O-N 2.85Å |
| 136 | Y | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -52.5 | -54.5 | -178.6 | 166 | -106.9 | 0 | 0 | 0 | 113.5 | I50 Q53 W114 E117 A118 Y121 Q138 L139 V140 | I50-Y136 HydrophobicContact CD1-CE2 4.08Å; Q53-Y136 HydrophobicContact CG-CE1 4.18Å; Q53-Y136 WeakPolarHBondContact CG-OH 3.2Å; W114-Y136 WeakPolarHBondContact O-CB 3.29Å; E117-Y136 PolarHBondContact OE2-N 3.38Å; A118-Y136 HydrophobicContact CB-CD1 3.95Å; A118-Y136 HydrophobicContact CB-CD2 3.66Å; A118-Y136 HydrophobicContact CB-CE1 3.89Å; A118-Y136 HydrophobicContact CB-CE2 3.61Å; A118-Y136 HydrophobicContact CB-CG 3.83Å; Y121-Y136 AromaticContact CD1-CD1 3.89Å; Y121-Y136 HydrophobicContact CD1-CD1 3.89Å; Y121-Y136 AromaticContact CD1-CE1 3.79Å; Y121-Y136 HydrophobicContact CD1-CE1 3.79Å; Y121-Y136 HydrophobicContact CE1-CE1 4.48Å; Y121-Y136 HydrophobicContact CG-CD1 4.11Å; Y121-Y136 HydrophobicContact CG-CE1 4.46Å; Y136-Q138 PolarHBondContact O-N 3.41Å; Y136-Q138 VanDerWaalsContact O-N 3.1Å; Y136-L139 WeakPolarHBondContact O-CB 3.21Å; Y136-L139 PolarHBondContact O-N 3.36Å; Y136-V140 HydrophobicContact CD2-CG2 4.49Å; Y136-V140 HydrophobicContact CE1-CG2 4.1Å; Y136-V140 HydrophobicContact CE2-CG1 3.79Å; Y136-V140 HydrophobicContact CE2-CG2 3.93Å; Y136-V140 PolarHBondContact O-N 3.37Å |
| 137 | P | 97.6 | Very high | 95.4 | Very high | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.032 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -51.2 | -34.7 | 177.2 | -35 | 42.9 | 0 | 0 | 0 | 114.1 | Y121 C133 V140 W141 N172 P178 | Y121-P137 HydrophobicContact CD1-CG 4.27Å; Y121-P137 HydrophobicContact CD2-CG 3.54Å; Y121-P137 HydrophobicContact CE1-CG 4.33Å; Y121-P137 HydrophobicContact CE2-CG 3.63Å; Y121-P137 HydrophobicContact CG-CG 3.89Å; C133-P137 WeakPolarHBondContact O-CD 3.4Å; P137-V140 CarbonylContact O-C 3.54Å; P137-V140 PolarHBondContact O-N 2.73Å; P137-W141 PolarHBondContact O-N 3.41Å; P137-W141 VanDerWaalsContact O-N 3.17Å; P137-N172 WeakPolarHBondContact CB-OD1 3.43Å; P137-P178 HydrophobicContact CB-CG 3.82Å; P137-P178 HydrophobicContact CG-CG 4.5Å |
| 138 | Q | 97.9 | Very high | 95.6 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.009 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.8 | -37.2 | 178 | -178.6 | 58.6 | 82.1 | 0 | 0 | 112.8 | T100 N135 Y136 V140 W141 T144 Y167 N172 | T100-Q138 HydrophobicContact CG2-CB 4.26Å; T100-Q138 HydrophobicContact CG2-CG 4.24Å; N135-Q138 WeakPolarHBondContact O-CB 3.11Å; N135-Q138 PolarHBondContact O-N 3.49Å; Y136-Q138 PolarHBondContact O-N 3.41Å; Y136-Q138 VanDerWaalsContact O-N 3.1Å; Q138-V140 PolarHBondContact O-N 2.88Å; Q138-W141 PolarHBondContact O-N 2.73Å; Q138-T144 PolarHBondContact NE2-OG1 2.87Å; Q138-T144 VanDerWaalsContact NE2-OG1 3.15Å; Q138-Y167 HydrophobicContact CG-CD1 4.13Å; Q138-Y167 HydrophobicContact CG-CD2 3.37Å; Q138-Y167 HydrophobicContact CG-CE1 4.42Å; Q138-Y167 HydrophobicContact CG-CE2 3.73Å; Q138-Y167 HydrophobicContact CG-CG 3.59Å; Q138-N172 PolarHBondContact N-OD1 2.96Å |
| 139 | L | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60 | -38.8 | 176.9 | -87.1 | 66.8 | 0 | 0 | 0 | 111.3 | V41 R42 T100 V111 W114 N135 Y136 | V41-L139 HydrophobicContact CG1-CB 4.33Å; V41-L139 HydrophobicContact CG1-CD2 4.29Å; V41-L139 HydrophobicContact CG2-CD2 4.44Å; R42-L139 WeakPolarHBondContact CG-O 3.17Å; R42-L139 PolarHBondContact NH1-O 2.02Å; T100-L139 HydrophobicContact CG2-CD1 4.12Å; V111-L139 HydrophobicContact CG1-CD2 4.28Å; W114-L139 HydrophobicContact CB-CD1 3.8Å; W114-L139 HydrophobicContact CB-CD2 3.88Å; W114-L139 HydrophobicContact CD2-CD1 4.43Å; W114-L139 HydrophobicContact CE3-CD1 4.19Å; W114-L139 HydrophobicContact CG-CD1 4.33Å; N135-L139 WeakPolarHBondContact O-CD1 3.45Å; N135-L139 PolarHBondContact O-N 2.85Å; Y136-L139 WeakPolarHBondContact O-CB 3.21Å; Y136-L139 PolarHBondContact O-N 3.36Å |
| 140 | V | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | 21.4 | -176.2 | -61.5 | 0 | 0 | 0 | 0 | 113 | V41 A45 I50 M59 Y136 P137 Q138 E142 P178 Y179 | V41-V140 HydrophobicContact CG1-CG1 3.77Å; A45-V140 HydrophobicContact CB-CB 4.45Å; A45-V140 HydrophobicContact CB-CG1 4Å; I50-V140 HydrophobicContact CD1-CG1 4.35Å; M59-V140 HydrophobicContact CE-CB 4.43Å; M59-V140 VanDerWaalsContact CE-O 3.23Å; M59-V140 WeakPolarHBondContact CE-O 3.18Å; Y136-V140 HydrophobicContact CD2-CG2 4.49Å; Y136-V140 HydrophobicContact CE1-CG2 4.1Å; Y136-V140 HydrophobicContact CE2-CG1 3.79Å; Y136-V140 HydrophobicContact CE2-CG2 3.93Å; Y136-V140 PolarHBondContact O-N 3.37Å; P137-V140 CarbonylContact O-C 3.54Å; P137-V140 PolarHBondContact O-N 2.73Å; Q138-V140 PolarHBondContact O-N 2.88Å; V140-E142 PolarHBondContact O-N 3.26Å; V140-P178 HydrophobicContact CG2-CB 3.85Å; V140-Y179 HydrophobicContact CB-CD1 4.09Å; V140-Y179 HydrophobicContact CB-CE1 4.04Å; V140-Y179 HydrophobicContact CG2-CD1 4.04Å; V140-Y179 HydrophobicContact CG2-CE1 3.8Å; V140-Y179 WeakPolarHBondContact O-CD1 3.25Å |
| 141 | W | 98.4 | Very high | 96.4 | Very high | 4 Ų | 4 | 21.4 Ų | 21.4 | 2% | 0.015 | 14% | 0.143 | C | C | . | . | trans | -72.2 | 117.7 | 178.9 | -156.4 | -95.9 | 0 | 0 | 0 | 110.9 | R42 P137 Q138 N143 T144 G171 N172 I173 Q176 P178 | R42-W141 PolarHBondContact NH1-O 2.74Å; R42-W141 PolarHBondContact NH2-O 2.79Å; P137-W141 PolarHBondContact O-N 3.41Å; P137-W141 VanDerWaalsContact O-N 3.17Å; Q138-W141 PolarHBondContact O-N 2.73Å; W141-N143 VanDerWaalsContact C-N 3.27Å; W141-N143 PolarHBondContact O-N 3.43Å; W141-T144 PolarHBondContact O-N 2.88Å; W141-T144 VanDerWaalsContact O-N 3.14Å; W141-G171 VanDerWaalsContact CD1-CA 3.45Å; W141-N172 VanDerWaalsContact CH2-N 3.3Å; W141-N172 VanDerWaalsContact CZ3-CA 3.43Å; W141-I173 HydrophobicContact CH2-CB 4.26Å; W141-I173 HydrophobicContact CZ2-CB 3.9Å; W141-I173 HydrophobicContact CZ2-CD1 4.22Å; W141-I173 HydrophobicContact CZ2-CG1 3.94Å; W141-Q176 HydrophobicContact CH2-CB 3.94Å; W141-Q176 HydrophobicContact CZ2-CB 4.02Å; W141-P178 CarbonylContact C-O 3.57Å; W141-P178 WeakPolarHBondContact CA-O 3.33Å; W141-P178 VanDerWaalsContact CE3-CA 3.48Å; W141-P178 HydrophobicContact CE3-CB 3.91Å; W141-P178 HydrophobicContact CE3-CG 4.27Å; W141-P178 HydrophobicContact CZ3-CB 4.24Å; W141-P178 HydrophobicContact CZ3-CG 4.18Å | ||
| 142 | E | 98.1 | Very high | 97.1 | Very high | 27 Ų | 27 | 16.1 Ų | 16.1 | 13% | 0.126 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -40.7 | -172.7 | 177.7 | 177.9 | 163.9 | 0 | 0 | 111.5 | H58 V140 P178 Y179 R180 | H58-E142 HydrophobicContact CB-CG 4.45Å; H58-E142 WeakPolarHBondContact CB-OE1 3.44Å; H58-E142 WeakPolarHBondContact O-CG 3.16Å; V140-E142 PolarHBondContact O-N 3.26Å; E142-P178 PolarHBondContact N-O 3.13Å; E142-Y179 WeakPolarHBondContact OE2-CA 3.27Å; E142-R180 IonicContact OE1-CZ 3.67Å; E142-R180 IonicContact OE1-NE 2.78Å; E142-R180 PolarHBondContact OE1-NE 3.34Å; E142-R180 IonicContact OE1-NH2 3.87Å; E142-R180 PolarHBondContact OE1-NH2 3.27Å; E142-R180 PolarHBondContact OE2-N 3.33Å; E142-R180 IonicContact OE2-NE 2.67Å |
| 143 | N | 97.7 | Very high | 97.7 | Very high | 95 Ų | 95 | 13.9 Ų | 13.9 | 51% | 0.508 | 8% | 0.084 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -13.4 | -176.6 | -70.2 | -19.8 | 0 | 0 | 0 | 114 | W141 T145 P169 | W141-N143 VanDerWaalsContact C-N 3.27Å; W141-N143 PolarHBondContact O-N 3.43Å; N143-T145 PolarHBondContact O-N 3.11Å; N143-P169 VanDerWaalsContact O-CD 3.26Å; N143-P169 WeakPolarHBondContact O-CD 3.25Å; N143-P169 WeakPolarHBondContact O-CG 3.11Å |
| 144 | T | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.084 | C | C | . | . | trans | -70.4 | 129.4 | 174.5 | -65.1 | 0 | 0 | 0 | 0 | 109.3 | R42 L62 Q138 W141 D146 Y167 P169 | R42-T144 PolarHBondContact NH2-O 3.06Å; L62-T144 HydrophobicContact CD2-CG2 3.81Å; L62-T144 WeakPolarHBondContact CD2-O 3.35Å; Q138-T144 PolarHBondContact NE2-OG1 2.87Å; Q138-T144 VanDerWaalsContact NE2-OG1 3.15Å; W141-T144 PolarHBondContact O-N 2.88Å; W141-T144 VanDerWaalsContact O-N 3.14Å; T144-D146 WeakPolarHBondContact CG2-O 3.31Å; T144-Y167 HydrophobicContact CG2-CD1 4.15Å; T144-Y167 HydrophobicContact CG2-CG 4.47Å; T144-P169 PolarHBondContact OG1-O 2.81Å | ||
| 145 | T | 98.6 | Very high | 97.7 | Very high | 54 Ų | 54 | 14.3 Ų | 14.3 | 33% | 0.331 | 8% | 0.08 | S | C | . | . | trans | -112.5 | -26.6 | -178.3 | 56.9 | 0 | 0 | 0 | 0 | 112.6 | L62 K63 N143 G168 | L62-T145 WeakPolarHBondContact CA-O 3.34Å; K63-T145 PolarHBondContact N-O 3.04Å; N143-T145 PolarHBondContact O-N 3.11Å; T145-G168 PolarHBondContact N-O 3.1Å; T145-G168 PolarHBondContact OG1-O 3.38Å | ||
| 146 | D | 98.8 | Very high | 97.4 | Very high | 6 Ų | 6 | 19.2 Ų | 19.2 | 3% | 0.032 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 143.7 | -169.2 | -69.3 | -125.5 | 0 | 0 | 0 | 110.6 | K63 N65 L68 F94 T144 Y167 G168 | K63-D146 WeakPolarHBondContact CE-OD1 3.46Å; K63-D146 WeakPolarHBondContact CE-OD2 3.48Å; K63-D146 IonicContact NZ-OD1 3.53Å; K63-D146 IonicContact NZ-OD2 3.18Å; K63-D146 WeakPolarHBondContact O-CA 3.39Å; N65-D146 HydrophobicContact CB-CB 3.95Å; N65-D146 PolarHBondContact ND2-OD1 3.16Å; N65-D146 VanDerWaalsContact ND2-OD1 3.16Å; L68-D146 HydrophobicContact CD1-CB 3.82Å; F94-D146 HydrophobicContact CE2-CB 3.65Å; F94-D146 HydrophobicContact CZ-CB 3.81Å; F94-D146 VanDerWaalsContact CZ-CG 3.47Å; F94-D146 WeakPolarHBondContact CZ-OD2 3.43Å; T144-D146 WeakPolarHBondContact CG2-O 3.31Å; D146-Y167 WeakPolarHBondContact O-CA 3.32Å; D146-G168 PolarHBondContact N-O 2.82Å; D146-G168 PolarHBondContact O-N 3.39Å |
| 147 | V | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 145.4 | 169.7 | 64.2 | 0 | 0 | 0 | 0 | 110 | L35 L62 K63 W64 N65 C165 N166 Y167 | L35-V147 HydrophobicContact CD1-CG1 3.84Å; L62-V147 HydrophobicContact CB-CG1 4.07Å; L62-V147 HydrophobicContact CD1-CB 3.94Å; L62-V147 HydrophobicContact CD1-CG1 3.98Å; K63-V147 PolarHBondContact O-N 3.32Å; W64-V147 CarbonylContact C-O 3.55Å; W64-V147 VanDerWaalsContact CA-O 3.31Å; W64-V147 WeakPolarHBondContact CA-O 3.41Å; W64-V147 HydrophobicContact CE3-CG1 4.15Å; N65-V147 PolarHBondContact N-O 3.17Å; V147-C165 HydrophobicContact CG2-CB 4.18Å; V147-N166 WeakPolarHBondContact CA-O 3.43Å; V147-Y167 HydrophobicContact CB-CD1 4.22Å; V147-Y167 HydrophobicContact CB-CE1 4.37Å; V147-Y167 HydrophobicContact CG2-CD1 3.88Å; V147-Y167 HydrophobicContact CG2-CE1 3.66Å |
| 148 | G | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 135 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | N166 | G148-N166 PolarHBondContact N-O 2.92Å; G148-N166 PolarHBondContact O-N 2.88Å |
| 149 | C | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 147.4 | -172.5 | -50.5 | 0 | 0 | 0 | 0 | 112.6 | M26 L34 W64 E69 V164 C165 | M26-C149 VanDerWaalsContact CE-O 3.31Å; M26-C149 WeakPolarHBondContact CE-O 3.45Å; L34-C149 HydrophobicContact CD1-CB 3.71Å; W64-C149 HydrophobicContact CH2-CB 3.73Å; W64-C149 HydrophobicContact CZ2-CB 4.36Å; W64-C149 VanDerWaalsContact CZ2-N 3.26Å; E69-C149 WeakPolarHBondContact CG-O 3.26Å; C149-V164 CarbonylContact C-O 3.56Å; C149-V164 WeakPolarHBondContact CA-O 3.41Å; C149-V164 WeakPolarHBondContact CB-O 3.5Å; C149-C165 HydrophobicContact CB-CB 4.03Å; C149-C165 WeakPolarHBondContact CB-SG 3.43Å; C149-C165 WeakPolarHBondContact SG-CB 3.43Å; C149-C165 CovalentContact SG-SG 2.04Å; C149-C165 PolarHBondContact SG-SG 3.45Å |
| 150 | G | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 142.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | A72 Q73 I163 V164 | A72-G150 VanDerWaalsContact CB-N 3.32Å; Q73-G150 VanDerWaalsContact OE1-CA 3.27Å; G150-I163 WeakPolarHBondContact O-CA 3.22Å; G150-V164 PolarHBondContact N-O 3.46Å; G150-V164 PolarHBondContact O-N 3.37Å |
| 151 | V | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 125.4 | -179.8 | -179.8 | 0 | 0 | 0 | 0 | 108.2 | K25 M26 I30 L34 Q73 S76 V107 L161 V162 I163 | K25-V151 HydrophobicContact CB-CB 4.41Å; K25-V151 HydrophobicContact CB-CG1 3.89Å; K25-V151 PolarHBondContact N-O 2.72Å; M26-V151 HydrophobicContact CG-CB 3.92Å; M26-V151 HydrophobicContact CG-CG2 4.16Å; M26-V151 HydrophobicContact SD-CB 3.78Å; M26-V151 HydrophobicContact SD-CG2 3.38Å; M26-V151 WeakPolarHBondContact SD-CG2 3.49Å; I30-V151 HydrophobicContact CG2-CG2 4.11Å; L34-V151 HydrophobicContact CD1-CG2 4.1Å; Q73-V151 PolarHBondContact NE2-O 2.97Å; Q73-V151 PolarHBondContact OE1-O 2.94Å; S76-V151 PolarHBondContact OG-N 2.89Å; V107-V151 HydrophobicContact CG1-CG1 3.98Å; V107-V151 HydrophobicContact CG1-CG2 3.8Å; V151-L161 HydrophobicContact CG1-CD1 3.71Å; V151-L161 HydrophobicContact CG1-CD2 3.74Å; V151-L161 HydrophobicContact CG1-CG 3.75Å; V151-V162 WeakPolarHBondContact CA-O 3.34Å; V151-I163 HydrophobicContact CG1-CG1 4.31Å; V151-I163 HydrophobicContact CG2-CG1 4.09Å; V151-I163 HydrophobicContact CG2-CG2 4.07Å |
| 152 | T | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 134.4 | -174.8 | -55.2 | 0 | 0 | 0 | 0 | 110.9 | V22 H23 Q73 S76 D77 C154 L161 V162 | V22-T152 HydrophobicContact CG1-CG2 3.16Å; H23-T152 WeakPolarHBondContact O-CA 3.39Å; Q73-T152 PolarHBondContact NE2-OG1 3.4Å; S76-T152 VanDerWaalsContact CB-OG1 3.27Å; S76-T152 WeakPolarHBondContact CB-OG1 3.3Å; S76-T152 WeakPolarHBondContact O-CB 3.5Å; S76-T152 PolarHBondContact O-OG1 2.78Å; S76-T152 PolarHBondContact OG-OG1 2.9Å; D77-T152 PolarHBondContact N-OG1 3.04Å; D77-T152 VanDerWaalsContact OD1-CG2 3.31Å; D77-T152 WeakPolarHBondContact OD1-CG2 3.34Å; D77-T152 PolarHBondContact OD1-OG1 2.71Å; T152-C154 PolarHBondContact O-N 2.92Å; T152-L161 WeakPolarHBondContact O-CA 3.4Å; T152-V162 PolarHBondContact N-O 3.21Å; T152-V162 PolarHBondContact O-N 2.97Å |
| 153 | D | 96.7 | Very high | 96.2 | Very high | 41 Ų | 41 | 37.1 Ų | 37.1 | 22% | 0.219 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 115.7 | 162.7 | -80.5 | -36.9 | 0 | 0 | 0 | 110.1 | V22 H23 K25 P155 K160 | V22-D153 WeakPolarHBondContact CA-O 3.26Å; H23-D153 HydrophobicContact CB-CB 4.45Å; H23-D153 PolarHBondContact N-O 3.41Å; H23-D153 PolarHBondContact O-N 2.85Å; K25-D153 WeakPolarHBondContact CD-OD1 3.49Å; K25-D153 VanDerWaalsContact CD-OD2 3.28Å; K25-D153 WeakPolarHBondContact CD-OD2 3.49Å; K25-D153 VanDerWaalsContact CE-CG 3.5Å; K25-D153 WeakPolarHBondContact CE-OD1 3.1Å; K25-D153 WeakPolarHBondContact CE-OD2 2.81Å; K25-D153 IonicContact NZ-OD1 2.63Å; K25-D153 PolarHBondContact NZ-OD1 3.13Å; K25-D153 IonicContact NZ-OD2 3.84Å; K25-D153 PolarHBondContact NZ-OD2 3.39Å; D153-P155 WeakPolarHBondContact O-CD 3.47Å; D153-K160 CarbonylContact C-O 3.57Å; D153-K160 WeakPolarHBondContact CA-O 3.36Å |
| 154 | C | 95.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -118.2 | 86.3 | 178.5 | -68.2 | 0 | 0 | 0 | 0 | 109.4 | C79 T152 N156 F157 K160 V162 | C79-C154 WeakPolarHBondContact CA-SG 3.16Å; C79-C154 HydrophobicContact CB-CB 3.64Å; C79-C154 WeakPolarHBondContact CB-SG 3.5Å; C79-C154 WeakPolarHBondContact SG-CA 3.32Å; C79-C154 WeakPolarHBondContact SG-CB 3.29Å; C79-C154 CovalentContact SG-SG 2.03Å; C79-C154 PolarHBondContact SG-SG 2.82Å; T152-C154 PolarHBondContact O-N 2.92Å; C154-N156 PolarHBondContact O-N 3.06Å; C154-F157 HydrophobicContact CB-CB 4.4Å; C154-F157 HydrophobicContact CB-CD2 3.83Å; C154-F157 HydrophobicContact CB-CG 4.32Å; C154-F157 PolarHBondContact O-N 2.86Å; C154-K160 PolarHBondContact N-O 3.18Å; C154-V162 HydrophobicContact CB-CG2 3.9Å; C154-V162 VanDerWaalsContact SG-CG2 3.5Å | ||
| 155 | P | 90.9 | Very high | 96.2 | Very high | 44 Ų | 44 | 32.6 Ų | 32.6 | 29% | 0.286 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -26.6 | -175.6 | -26.4 | 34.5 | 0 | 0 | 0 | 114.3 | D153 F157 K160 | D153-P155 WeakPolarHBondContact O-CD 3.47Å; P155-F157 VanDerWaalsContact C-N 3.26Å; P155-F157 PolarHBondContact O-N 3.06Å; P155-K160 PolarHBondContact O-NZ 3.49Å |
| 156 | N | 90.1 | Very high | 96.2 | Very high | 126 Ų | 126 | 30 Ų | 30 | 67% | 0.674 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72 | -16 | 178.5 | -63 | -20.6 | 0 | 0 | 0 | 113.3 | C154 | C154-N156 PolarHBondContact O-N 3.06Š|
| 157 | F | 90.9 | Very high | 96.2 | Very high | 46 Ų | 46 | 29.8 Ų | 29.8 | 20% | 0.202 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -88.6 | 140.8 | 175.3 | -78.5 | -113.4 | 0 | 0 | 0 | 109.8 | C79 W101 C154 P155 T159 K160 V162 | C79-F157 HydrophobicContact CB-CE2 4.22Å; C79-F157 WeakPolarHBondContact O-CE2 3.43Å; W101-F157 HydrophobicContact CH2-CD1 4.34Å; W101-F157 AromaticContact CH2-CE1 3.69Å; W101-F157 HydrophobicContact CH2-CE1 3.69Å; W101-F157 AromaticContact CZ2-CE1 3.78Å; W101-F157 HydrophobicContact CZ2-CE1 3.78Å; W101-F157 HydrophobicContact CZ2-CZ 4.3Å; C154-F157 HydrophobicContact CB-CB 4.4Å; C154-F157 HydrophobicContact CB-CD2 3.83Å; C154-F157 HydrophobicContact CB-CG 4.32Å; C154-F157 PolarHBondContact O-N 2.86Å; P155-F157 VanDerWaalsContact C-N 3.26Å; P155-F157 PolarHBondContact O-N 3.06Å; F157-T159 PolarHBondContact O-N 3.35Å; F157-K160 WeakPolarHBondContact O-CD 3.42Å; F157-K160 PolarHBondContact O-N 2.6Å; F157-K160 VanDerWaalsContact O-N 3.08Å; F157-V162 HydrophobicContact CD1-CG2 4.21Å; F157-V162 HydrophobicContact CD2-CG2 4.42Å; F157-V162 HydrophobicContact CE1-CG2 4.33Å; F157-V162 HydrophobicContact CG-CG2 4.27Å |
| 158 | R | 93 | Very high | 96.2 | Very high | 220 Ų | 220 | 29.8 Ų | 29.8 | 83% | 0.83 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -35.2 | 173.1 | -177.4 | 177.3 | 177.7 | -179.1 | 0.9 | 111.7 | ||
| 159 | T | 91.1 | Very high | 96.2 | Very high | 26 Ų | 26 | 31.8 Ų | 31.8 | 16% | 0.16 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -12.6 | -177.4 | 56.9 | 0 | 0 | 0 | 0 | 114.3 | T104 Y105 F157 L161 | T104-T159 VanDerWaalsContact C-CB 3.49Å; T104-T159 CarbonylContact C-O 3.49Å; T104-T159 VanDerWaalsContact CA-CB 3.46Å; T104-T159 PolarHBondContact N-OG1 2.75Å; T104-T159 CarbonylContact O-C 3.4Å; T104-T159 WeakPolarHBondContact O-CB 3.17Å; Y105-T159 WeakPolarHBondContact CD1-O 3.32Å; Y105-T159 HydrophobicContact CE1-CG2 4.48Å; Y105-T159 HydrophobicContact CE2-CG2 4.27Å; F157-T159 PolarHBondContact O-N 3.35Å; T159-L161 PolarHBondContact O-N 2.87Å |
| 160 | K | 93.1 | Very high | 96.1 | Very high | 111 Ų | 111 | 32 Ų | 32 | 48% | 0.483 | 15% | 0.154 | S | C | . | . | S | Bend | trans | 66.5 | -22.9 | 178.5 | -51.8 | -64.9 | 171.5 | -176.7 | 0 | 117.1 | D153 C154 P155 F157 | D153-K160 CarbonylContact C-O 3.57Å; D153-K160 WeakPolarHBondContact CA-O 3.36Å; C154-K160 PolarHBondContact N-O 3.18Å; P155-K160 PolarHBondContact O-NZ 3.49Å; F157-K160 WeakPolarHBondContact O-CD 3.42Å; F157-K160 PolarHBondContact O-N 2.6Å; F157-K160 VanDerWaalsContact O-N 3.08Å |
| 161 | L | 96.7 | Very high | 96 | Very high | 11 Ų | 11 | 32.5 Ų | 32.5 | 6% | 0.058 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 137.9 | 175.3 | -150.6 | 68.6 | 0 | 0 | 0 | 110.6 | K25 G103 T104 V107 V151 T152 T159 I163 | K25-L161 HydrophobicContact CD-CD1 3.64Å; G103-L161 CarbonylContact C-O 3.38Å; G103-L161 WeakPolarHBondContact CA-O 3.34Å; T104-L161 PolarHBondContact N-O 3.27Å; T104-L161 WeakPolarHBondContact O-CA 3.26Å; T104-L161 WeakPolarHBondContact O-CB 3.17Å; T104-L161 PolarHBondContact O-N 3.37Å; T104-L161 VanDerWaalsContact O-N 3.14Å; V107-L161 HydrophobicContact CG1-CD2 4.17Å; V151-L161 HydrophobicContact CG1-CD1 3.71Å; V151-L161 HydrophobicContact CG1-CD2 3.74Å; V151-L161 HydrophobicContact CG1-CG 3.75Å; T152-L161 WeakPolarHBondContact O-CA 3.4Å; T159-L161 PolarHBondContact O-N 2.87Å; L161-I163 HydrophobicContact CB-CD1 3.94Å; L161-I163 HydrophobicContact CD2-CD1 3.63Å; L161-I163 HydrophobicContact CD2-CG1 4.13Å; L161-I163 HydrophobicContact CG-CD1 3.71Å; L161-I163 HydrophobicContact CG-CG1 4.38Å |
| 162 | V | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 129.9 | 164.3 | 170.7 | 0 | 0 | 0 | 0 | 108 | W101 V151 T152 C154 F157 V164 | W101-V162 HydrophobicContact CZ2-CG1 4.01Å; W101-V162 HydrophobicContact CZ2-CG2 3.96Å; V151-V162 WeakPolarHBondContact CA-O 3.34Å; T152-V162 PolarHBondContact N-O 3.21Å; T152-V162 PolarHBondContact O-N 2.97Å; C154-V162 HydrophobicContact CB-CG2 3.9Å; C154-V162 VanDerWaalsContact SG-CG2 3.5Å; F157-V162 HydrophobicContact CD1-CG2 4.21Å; F157-V162 HydrophobicContact CD2-CG2 4.42Å; F157-V162 HydrophobicContact CE1-CG2 4.33Å; F157-V162 HydrophobicContact CG-CG2 4.27Å; V162-V164 HydrophobicContact CG1-CG2 4.25Å |
| 163 | I | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 128.9 | 176.2 | -55.4 | 75.5 | 0 | 0 | 0 | 107.7 | W101 V102 T104 V107 A110 W114 G150 V151 L161 | W101-I163 WeakPolarHBondContact CA-O 3.06Å; V102-I163 HydrophobicContact CG1-CB 4.33Å; V102-I163 PolarHBondContact N-O 2.99Å; V102-I163 PolarHBondContact O-N 3.14Å; T104-I163 HydrophobicContact CG2-CD1 3.48Å; T104-I163 VanDerWaalsContact CG2-CD1 3.48Å; V107-I163 HydrophobicContact CG1-CG1 4.24Å; A110-I163 HydrophobicContact CB-CB 4.03Å; A110-I163 HydrophobicContact CB-CD1 4.16Å; A110-I163 HydrophobicContact CB-CG1 4.01Å; A110-I163 HydrophobicContact CB-CG2 4.21Å; W114-I163 HydrophobicContact CH2-CG2 3.92Å; G150-I163 WeakPolarHBondContact O-CA 3.22Å; V151-I163 HydrophobicContact CG1-CG1 4.31Å; V151-I163 HydrophobicContact CG2-CG1 4.09Å; V151-I163 HydrophobicContact CG2-CG2 4.07Å; L161-I163 HydrophobicContact CB-CD1 3.94Å; L161-I163 HydrophobicContact CD2-CD1 3.63Å; L161-I163 HydrophobicContact CD2-CG1 4.13Å; L161-I163 HydrophobicContact CG-CD1 3.71Å; L161-I163 HydrophobicContact CG-CG1 4.38Å |
| 164 | V | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 136 | 173.7 | 177.5 | 0 | 0 | 0 | 0 | 107.5 | A72 L75 Q99 T100 W101 C149 G150 V162 | A72-V164 HydrophobicContact CB-CB 4.13Å; A72-V164 HydrophobicContact CB-CG1 3.81Å; L75-V164 HydrophobicContact CB-CG1 4.44Å; L75-V164 HydrophobicContact CB-CG2 4.32Å; L75-V164 HydrophobicContact CD2-CG1 3.91Å; L75-V164 HydrophobicContact CD2-CG2 4Å; L75-V164 HydrophobicContact CG-CG2 4.02Å; Q99-V164 HydrophobicContact CG-CG1 3.84Å; T100-V164 VanDerWaalsContact O-CA 3.31Å; T100-V164 WeakPolarHBondContact O-CA 3.26Å; W101-V164 HydrophobicContact CG-CG2 4.29Å; C149-V164 CarbonylContact C-O 3.56Å; C149-V164 WeakPolarHBondContact CA-O 3.41Å; C149-V164 WeakPolarHBondContact CB-O 3.5Å; G150-V164 PolarHBondContact N-O 3.46Å; G150-V164 PolarHBondContact O-N 3.37Å; V162-V164 HydrophobicContact CG1-CG2 4.25Å |
| 165 | C | 98.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 134.1 | 167.4 | -66.8 | 0 | 0 | 0 | 0 | 109.8 | Q99 T100 W114 V147 C149 Y167 | Q99-C165 CarbonylContact C-O 3.46Å; Q99-C165 VanDerWaalsContact CA-O 3.29Å; Q99-C165 WeakPolarHBondContact CA-O 3.23Å; T100-C165 PolarHBondContact N-O 2.93Å; T100-C165 PolarHBondContact O-N 3.17Å; T100-C165 VanDerWaalsContact O-N 3.08Å; T100-C165 WeakPolarHBondContact OG1-CB 3.21Å; W114-C165 HydrophobicContact CH2-CB 4.18Å; W114-C165 HydrophobicContact CZ3-CB 4.33Å; V147-C165 HydrophobicContact CG2-CB 4.18Å; C149-C165 HydrophobicContact CB-CB 4.03Å; C149-C165 WeakPolarHBondContact CB-SG 3.43Å; C149-C165 WeakPolarHBondContact SG-CB 3.43Å; C149-C165 CovalentContact SG-SG 2.04Å; C149-C165 PolarHBondContact SG-SG 3.45Å; C165-Y167 HydrophobicContact CB-CE2 3.62Å; C165-Y167 WeakPolarHBondContact CB-OH 3.3Å; C165-Y167 WeakPolarHBondContact O-CD2 3.47Å; C165-Y167 WeakPolarHBondContact O-CE2 3.2Å |
| 166 | N | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 141 | 173.1 | -77.5 | -20.7 | 0 | 0 | 0 | 109.7 | L68 K71 A72 V97 G98 Q99 V147 G148 | L68-N166 HydrophobicContact CB-CB 4.03Å; L68-N166 HydrophobicContact CD2-CB 4.17Å; L68-N166 PolarHBondContact O-ND2 3.48Å; K71-N166 WeakPolarHBondContact CB-ND2 3.29Å; A72-N166 WeakPolarHBondContact CA-ND2 3.39Å; A72-N166 HydrophobicContact CB-CB 4.31Å; A72-N166 PolarHBondContact N-ND2 3.35Å; A72-N166 VanDerWaalsContact N-ND2 3.12Å; V97-N166 HydrophobicContact CG1-CB 3.69Å; G98-N166 CarbonylContact O-C 3.54Å; G98-N166 VanDerWaalsContact O-CA 3.27Å; G98-N166 WeakPolarHBondContact O-CA 3.37Å; Q99-N166 WeakPolarHBondContact CG-OD1 3.39Å; Q99-N166 PolarHBondContact NE2-OD1 3.45Å; V147-N166 WeakPolarHBondContact CA-O 3.43Å; G148-N166 PolarHBondContact N-O 2.92Å; G148-N166 PolarHBondContact O-N 2.88Å |
| 167 | Y | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 127.3 | -170.5 | -59.2 | -94.3 | 0 | 0 | 0 | 110.9 | H38 V97 G98 T100 Q138 T144 D146 V147 C165 P169 G170 | H38-Y167 AromaticContact CD2-CE1 3.69Å; H38-Y167 AromaticContact NE2-CE1 3.59Å; H38-Y167 AromaticContact NE2-CZ 3.58Å; H38-Y167 PolarHBondContact NE2-OH 2.96Å; V97-Y167 WeakPolarHBondContact CA-O 3.28Å; G98-Y167 PolarHBondContact N-O 2.97Å; G98-Y167 PolarHBondContact O-N 3.38Å; T100-Y167 HydrophobicContact CG2-CD2 4.46Å; T100-Y167 HydrophobicContact CG2-CE2 3.5Å; T100-Y167 WeakPolarHBondContact OG1-CE2 3.07Å; T100-Y167 PolarHBondContact OG1-OH 2.98Å; T100-Y167 VanDerWaalsContact OG1-OH 3.09Å; Q138-Y167 HydrophobicContact CG-CD1 4.13Å; Q138-Y167 HydrophobicContact CG-CD2 3.37Å; Q138-Y167 HydrophobicContact CG-CE1 4.42Å; Q138-Y167 HydrophobicContact CG-CE2 3.73Å; Q138-Y167 HydrophobicContact CG-CG 3.59Å; T144-Y167 HydrophobicContact CG2-CD1 4.15Å; T144-Y167 HydrophobicContact CG2-CG 4.47Å; D146-Y167 WeakPolarHBondContact O-CA 3.32Å; V147-Y167 HydrophobicContact CB-CD1 4.22Å; V147-Y167 HydrophobicContact CB-CE1 4.37Å; V147-Y167 HydrophobicContact CG2-CD1 3.88Å; V147-Y167 HydrophobicContact CG2-CE1 3.66Å; C165-Y167 HydrophobicContact CB-CE2 3.62Å; C165-Y167 WeakPolarHBondContact CB-OH 3.3Å; C165-Y167 WeakPolarHBondContact O-CD2 3.47Å; C165-Y167 WeakPolarHBondContact O-CE2 3.2Å; Y167-P169 CarbonylContact O-C 3.56Å; Y167-G170 WeakPolarHBondContact O-CA 3.33Å; Y167-G170 PolarHBondContact O-N 3.09Å |
| 168 | G | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 129.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | T145 D146 | T145-G168 PolarHBondContact N-O 3.1Å; T145-G168 PolarHBondContact OG1-O 3.38Å; D146-G168 PolarHBondContact N-O 2.82Å; D146-G168 PolarHBondContact O-N 3.39Å |
| 169 | P | 98.2 | Very high | 96.1 | Very high | 43 Ų | 43 | 37.1 Ų | 37.1 | 28% | 0.279 | 19% | 0.19 | S | C | . | . | S | Bend | cis | -59.4 | 154.8 | -23.2 | 29.7 | -36.5 | 0 | 0 | 0 | 111.2 | F94 N96 N143 T144 Y167 | F94-P169 HydrophobicContact CD1-CB 4.33Å; N96-P169 WeakPolarHBondContact O-CA 3.04Å; N143-P169 VanDerWaalsContact O-CD 3.26Å; N143-P169 WeakPolarHBondContact O-CD 3.25Å; N143-P169 WeakPolarHBondContact O-CG 3.11Å; T144-P169 PolarHBondContact OG1-O 2.81Å; Y167-P169 CarbonylContact O-C 3.56Å |
| 170 | G | 97.6 | Very high | 96.4 | Very high | 4 Ų | 4 | 42.9 Ų | 42.9 | 4% | 0.041 | 21% | 0.209 | C | C | . | . | trans | -63.7 | 147.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | N96 Y167 | N96-G170 WeakPolarHBondContact ND2-CA 3.34Å; N96-G170 PolarHBondContact ND2-O 3.48Å; N96-G170 PolarHBondContact O-N 3.4Å; Y167-G170 WeakPolarHBondContact O-CA 3.33Å; Y167-G170 PolarHBondContact O-N 3.09Å | ||
| 171 | G | 96.1 | Very high | 96.5 | Very high | 10 Ų | 10 | 40.4 Ų | 40.4 | 10% | 0.103 | 20% | 0.204 | C | C | . | . | trans | -100.2 | -150.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | W141 I173 | W141-G171 VanDerWaalsContact CD1-CA 3.45Å; G171-I173 PolarHBondContact O-N 2.7Å | ||
| 172 | N | 94.4 | Very high | 95.8 | Very high | 71 Ų | 71 | 46 Ų | 46 | 38% | 0.38 | 25% | 0.252 | S | S | . | . | trans | 54.7 | 35.8 | 179.6 | -62.8 | -6.2 | 0 | 0 | 0 | 113.3 | G134 P137 Q138 W141 | G134-N172 PolarHBondContact O-ND2 2.99Å; P137-N172 WeakPolarHBondContact CB-OD1 3.43Å; Q138-N172 PolarHBondContact N-OD1 2.96Å; W141-N172 VanDerWaalsContact CH2-N 3.3Å; W141-N172 VanDerWaalsContact CZ3-CA 3.43Å | ||
| 173 | I | 93.2 | Very high | 95.7 | Very high | 61 Ų | 61 | 48.4 Ų | 48.4 | 31% | 0.313 | 26% | 0.264 | S | S | . | . | trans | -68.5 | 127.2 | 176 | -57.7 | 171.9 | 0 | 0 | 0 | 108 | W141 G171 Q176 | W141-I173 HydrophobicContact CH2-CB 4.26Å; W141-I173 HydrophobicContact CZ2-CB 3.9Å; W141-I173 HydrophobicContact CZ2-CD1 4.22Å; W141-I173 HydrophobicContact CZ2-CG1 3.94Å; G171-I173 PolarHBondContact O-N 2.7Å; I173-Q176 HydrophobicContact CB-CB 4.24Å; I173-Q176 HydrophobicContact CB-CG 4.15Å; I173-Q176 HydrophobicContact CG2-CG 4.03Å; I173-Q176 PolarHBondContact O-N 2.86Å; I173-Q176 VanDerWaalsContact O-N 3.13Å | ||
| 174 | P | 90.5 | Very high | 95.5 | Very high | 104 Ų | 104 | 50.9 Ų | 50.9 | 68% | 0.675 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | 144.8 | 176.5 | -28.3 | 35.6 | 0 | 0 | 0 | 112 | Q176 | P174-Q176 PolarHBondContact O-N 3.34Š|
| 175 | E | 91.3 | Very high | 95.4 | Very high | 163 Ų | 163 | 53.7 Ų | 53.7 | 76% | 0.762 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | -12.8 | -176.4 | -51.4 | -51.7 | 139.6 | 0 | 0 | 116.9 | R177 | E175-R177 PolarHBondContact O-NH1 3.35Å; E175-R177 VanDerWaalsContact O-NH1 3.14Å |
| 176 | Q | 95 | Very high | 95.2 | Very high | 86 Ų | 86 | 56.9 Ų | 56.9 | 40% | 0.402 | 31% | 0.311 | S | S | . | . | trans | -89.2 | 149.6 | 176.8 | -60.7 | -171.3 | 16.7 | 0 | 0 | 111.7 | N126 W141 I173 P174 | N126-Q176 PolarHBondContact ND2-O 3.19Å; N126-Q176 VanDerWaalsContact ND2-O 3.15Å; W141-Q176 HydrophobicContact CH2-CB 3.94Å; W141-Q176 HydrophobicContact CZ2-CB 4.02Å; I173-Q176 HydrophobicContact CB-CB 4.24Å; I173-Q176 HydrophobicContact CB-CG 4.15Å; I173-Q176 HydrophobicContact CG2-CG 4.03Å; I173-Q176 PolarHBondContact O-N 2.86Å; I173-Q176 VanDerWaalsContact O-N 3.13Å; P174-Q176 PolarHBondContact O-N 3.34Å | ||
| 177 | R | 96.8 | Very high | 95 | Very high | 81 Ų | 81 | 60.4 Ų | 60.4 | 31% | 0.306 | 33% | 0.33 | S | S | . | . | trans | -89.6 | 154.8 | 168.9 | -59.4 | -54.2 | -178.9 | -91.4 | 3.1 | 110.1 | F123 N124 E175 Y179 | F123-R177 HydrophobicContact CE1-CB 3.99Å; F123-R177 HydrophobicContact CE1-CG 4Å; F123-R177 HydrophobicContact CE2-CB 4.31Å; F123-R177 HydrophobicContact CZ-CB 3.76Å; F123-R177 HydrophobicContact CZ-CG 4.29Å; F123-R177 WeakPolarHBondContact O-CD 3.46Å; F123-R177 PolarHBondContact O-NE 3.35Å; N124-R177 PolarHBondContact O-NH2 2.99Å; E175-R177 PolarHBondContact O-NH1 3.35Å; E175-R177 VanDerWaalsContact O-NH1 3.14Å; R177-Y179 PolarHBondContact O-N 3.23Å | ||
| 178 | P | 97.7 | Very high | 94.7 | Very high | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.013 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -58.3 | -31.8 | -179 | -26.5 | 35.6 | 0 | 0 | 0 | 113.4 | Y121 P137 V140 W141 E142 | Y121-P178 HydrophobicContact CE1-CG 4.05Å; Y121-P178 WeakPolarHBondContact OH-CD 3.28Å; P137-P178 HydrophobicContact CB-CG 3.82Å; P137-P178 HydrophobicContact CG-CG 4.5Å; V140-P178 HydrophobicContact CG2-CB 3.85Å; W141-P178 CarbonylContact C-O 3.57Å; W141-P178 WeakPolarHBondContact CA-O 3.33Å; W141-P178 VanDerWaalsContact CE3-CA 3.48Å; W141-P178 HydrophobicContact CE3-CB 3.91Å; W141-P178 HydrophobicContact CE3-CG 4.27Å; W141-P178 HydrophobicContact CZ3-CB 4.24Å; W141-P178 HydrophobicContact CZ3-CG 4.18Å; E142-P178 PolarHBondContact N-O 3.13Å |
| 179 | Y | 98.2 | Very high | 94.4 | Very high | 6 Ų | 6 | 69.1 Ų | 69.1 | 2% | 0.024 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -152.6 | 168.2 | 178.2 | 49.1 | -97.5 | 0 | 0 | 0 | 110.6 | A45 P54 A56 M59 F123 V140 E142 R177 T181 | A45-Y179 HydrophobicContact CB-CE1 4.36Å; P54-Y179 HydrophobicContact CG-CE2 4.14Å; P54-Y179 VanDerWaalsContact O-CE2 3.27Å; P54-Y179 WeakPolarHBondContact O-CE2 3.39Å; P54-Y179 PolarHBondContact O-OH 3.27Å; A56-Y179 HydrophobicContact CB-CD1 4.37Å; A56-Y179 HydrophobicContact CB-CD2 3.36Å; A56-Y179 HydrophobicContact CB-CE2 3.69Å; A56-Y179 HydrophobicContact CB-CG 3.72Å; M59-Y179 HydrophobicContact CE-CD1 3.71Å; M59-Y179 HydrophobicContact CE-CG 3.84Å; F123-Y179 HydrophobicContact CD2-CE1 4.38Å; F123-Y179 HydrophobicContact CD2-CE2 4.27Å; F123-Y179 AromaticContact CD2-CZ 4Å; F123-Y179 HydrophobicContact CE2-CD1 4.08Å; F123-Y179 AromaticContact CE2-CD2 3.72Å; F123-Y179 HydrophobicContact CE2-CD2 3.72Å; F123-Y179 AromaticContact CE2-CE1 3.77Å; F123-Y179 HydrophobicContact CE2-CE1 3.77Å; F123-Y179 AromaticContact CE2-CE2 3.42Å; F123-Y179 HydrophobicContact CE2-CE2 3.42Å; F123-Y179 VanDerWaalsContact CE2-CE2 3.42Å; F123-Y179 HydrophobicContact CE2-CG 4.07Å; F123-Y179 AromaticContact CE2-CZ 3.46Å; F123-Y179 VanDerWaalsContact CE2-CZ 3.46Å; F123-Y179 AromaticContact CZ-CD2 3.85Å; F123-Y179 HydrophobicContact CZ-CD2 3.85Å; F123-Y179 AromaticContact CZ-CE2 3.81Å; F123-Y179 HydrophobicContact CZ-CE2 3.81Å; F123-Y179 HydrophobicContact CZ-CG 4.41Å; F123-Y179 VanDerWaalsContact CZ-O 3.25Å; F123-Y179 WeakPolarHBondContact CZ-O 3.38Å; V140-Y179 HydrophobicContact CB-CD1 4.09Å; V140-Y179 HydrophobicContact CB-CE1 4.04Å; V140-Y179 HydrophobicContact CG2-CD1 4.04Å; V140-Y179 HydrophobicContact CG2-CE1 3.8Å; V140-Y179 WeakPolarHBondContact O-CD1 3.25Å; E142-Y179 WeakPolarHBondContact OE2-CA 3.27Å; R177-Y179 PolarHBondContact O-N 3.23Å; Y179-T181 HydrophobicContact CD2-CG2 4.23Å; Y179-T181 HydrophobicContact CE2-CG2 4.08Å |
| 180 | R | 97 | Very high | 94.1 | Very high | 147 Ų | 147 | 71.1 Ų | 71.1 | 56% | 0.555 | 39% | 0.385 | S | S | * | . | trans | -82.4 | 144.5 | 168.4 | -68 | 176.3 | -69.2 | 172.8 | 0.8 | 110.7 | A56 V57 E142 | A56-R180 WeakPolarHBondContact CA-O 3.14Å; V57-R180 HydrophobicContact CG2-CB 3.52Å; V57-R180 WeakPolarHBondContact CG2-O 3.49Å; V57-R180 PolarHBondContact N-O 3.14Å; E142-R180 IonicContact OE1-CZ 3.67Å; E142-R180 IonicContact OE1-NE 2.78Å; E142-R180 PolarHBondContact OE1-NE 3.34Å; E142-R180 IonicContact OE1-NH2 3.87Å; E142-R180 PolarHBondContact OE1-NH2 3.27Å; E142-R180 PolarHBondContact OE2-N 3.33Å; E142-R180 IonicContact OE2-NE 2.67Å | ||
| 181 | T | 95.1 | Very high | 93.9 | Very high | 60 Ų | 60 | 76.7 Ų | 76.7 | 37% | 0.368 | 41% | 0.414 | S | S | . | . | B | Isolated β-bridge | trans | -106.5 | 159.6 | 179.6 | 66 | 0 | 0 | 0 | 0 | 111.4 | P54 E55 F123 Y179 | P54-T181 HydrophobicContact CB-CG2 3.52Å; P54-T181 HydrophobicContact CG-CG2 3.31Å; E55-T181 WeakPolarHBondContact O-CA 3.5Å; F123-T181 HydrophobicContact CD1-CG2 4.2Å; F123-T181 HydrophobicContact CE1-CG2 3.29Å; F123-T181 HydrophobicContact CE2-CG2 4.28Å; F123-T181 HydrophobicContact CZ-CG2 3.32Å; Y179-T181 HydrophobicContact CD2-CG2 4.23Å; Y179-T181 HydrophobicContact CE2-CG2 4.08Å |
| 182 | A | 81.1 | Confident | 93.7 | Very high | 129 Ų | 129 | 82.7 Ų | 82.7 | 100% | 1.066 | 44% | 0.442 | S | S | * | . | trans | -72.4 | 0 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V57 | V57-A182 VanDerWaalsContact CG1-CA 3.49Å; V57-A182 HydrophobicContact CG1-CB 3.77Å |
Retrieved 182 of 182 residues in 201.4 ms
(Link to these results)