| 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 | 29.9 | Very low | 54.4 | Low | 229 Ų | 229 | 129.7 Ų | 129.7 | 100% | 1.128 | 69% | 0.687 | S | S | * | * | 0 | 88.6 | 0 | -77.2 | -175.7 | -102.9 | 0 | 0 | 108.8 | |||||
| 2 | M | 33.8 | Very low | 55.6 | Low | 169 Ų | 169 | 127.8 Ų | 127.8 | 83% | 0.833 | 67% | 0.671 | S | S | * | * | trans | -129 | 66.1 | 155.6 | -80.3 | -176.6 | -168.5 | 0 | 0 | 104.5 | D4 | M2-D4 VanDerWaalsContact C-N 3.32Å; M2-D4 PolarHBondContact O-N 2.6Å | ||
| 3 | N | 45.1 | Very low | 56.8 | Low | 144 Ų | 144 | 129.3 Ų | 129.3 | 77% | 0.77 | 68% | 0.68 | S | S | * | * | trans | -87.7 | 7.1 | -170 | -87.8 | 13.3 | 0 | 0 | 0 | 113.9 | ||||
| 4 | D | 51.4 | Low | 57.9 | Low | 142 Ų | 142 | 128.5 Ų | 128.5 | 76% | 0.759 | 67% | 0.671 | S | S | * | * | trans | -114.6 | 38.5 | -167.4 | -58.4 | -21.4 | 0 | 0 | 0 | 113.6 | M2 L6 | M2-D4 VanDerWaalsContact C-N 3.32Å; M2-D4 PolarHBondContact O-N 2.6Å; D4-L6 PolarHBondContact O-N 3.4Å | ||
| 5 | Q | 55.4 | Low | 59.4 | Low | 151 Ų | 151 | 128.5 Ų | 128.5 | 71% | 0.706 | 67% | 0.672 | S | S | * | * | trans | -71.8 | 90.1 | 155.2 | -80.4 | -170.2 | -4.9 | 0 | 0 | 107.5 | V7 | Q5-V7 PolarHBondContact O-N 3.11Š| ||
| 6 | L | 55.7 | Low | 60.9 | Low | 173 Ų | 173 | 122.1 Ų | 122.1 | 91% | 0.906 | 64% | 0.641 | S | S | * | * | trans | -64.2 | 104.8 | 170.1 | -74.9 | 165.4 | 0 | 0 | 0 | 108.1 | D4 | D4-L6 PolarHBondContact O-N 3.4Š| ||
| 7 | V | 60.8 | Low | 62.1 | Low | 65 Ų | 65 | 117.1 Ų | 117.1 | 39% | 0.394 | 61% | 0.614 | S | S | . | * | trans | -105.8 | 132.3 | 170.5 | 177.6 | 0 | 0 | 0 | 0 | 107.2 | Q5 C16 I18 | Q5-V7 PolarHBondContact O-N 3.11Å; V7-C16 PolarHBondContact O-SG 3.4Å; V7-I18 HydrophobicContact CB-CD1 4.47Å; V7-I18 HydrophobicContact CG1-CD1 3.26Å; V7-I18 HydrophobicContact CG1-CG1 3.64Å; V7-I18 HydrophobicContact CG2-CD1 4.37Å | ||
| 8 | R | 62.4 | Low | 63.3 | Low | 143 Ų | 143 | 116.2 Ų | 116.2 | 54% | 0.54 | 61% | 0.609 | S | S | . | * | trans | -130.4 | 131.5 | 175.2 | -165.1 | -173.8 | -159.2 | -163 | 14.7 | 109.5 | G10 T11 E12 D13 | R8-G10 WeakPolarHBondContact CD-O 3.44Å; R8-T11 VanDerWaalsContact CZ-C 3.41Å; R8-T11 PolarHBondContact NH2-O 3.04Å; R8-E12 PolarHBondContact NE-O 3.09Å; R8-D13 IonicContact CZ-OD1 3.48Å; R8-D13 IonicContact NE-OD1 3.45Å; R8-D13 PolarHBondContact NE-OD1 3.09Å; R8-D13 IonicContact NH2-OD1 2.76Å; R8-D13 PolarHBondContact NH2-OD1 3.1Å | ||
| 9 | V | 64.6 | Low | 64.4 | Low | 37 Ų | 37 | 111.1 Ų | 111.1 | 22% | 0.224 | 59% | 0.585 | C | S | . | * | trans | -115.5 | 109.5 | 170.7 | 179.8 | 0 | 0 | 0 | 0 | 107.9 | C16 A55 | V9-C16 HydrophobicContact CB-CB 3.85Å; V9-C16 HydrophobicContact CG2-CB 3.77Å; V9-A55 HydrophobicContact CG2-CB 4.44Å | ||
| 10 | G | 69 | Low | 65.5 | Low | 54 Ų | 54 | 109.4 Ų | 109.4 | 56% | 0.557 | 58% | 0.58 | S | S | * | * | S | Bend | trans | 87.3 | -156.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114 | R8 | R8-G10 WeakPolarHBondContact CD-O 3.44Š|
| 11 | T | 70.5 | Confident | 66.5 | Low | 120 Ų | 120 | 106.9 Ų | 106.9 | 74% | 0.736 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -108.4 | 2.6 | -170.7 | 53.9 | 0 | 0 | 0 | 0 | 114.4 | R8 | R8-T11 VanDerWaalsContact CZ-C 3.41Å; R8-T11 PolarHBondContact NH2-O 3.04Å |
| 12 | E | 68.5 | Low | 69 | Low | 107 Ų | 107 | 98.6 Ų | 98.6 | 50% | 0.5 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -110.8 | 160.3 | -177.7 | -67.7 | 167.4 | 159.4 | 0 | 0 | 110.1 | R8 E14 R53 | R8-E12 PolarHBondContact NE-O 3.09Å; E12-E14 VanDerWaalsContact C-N 3.32Å; E12-E14 PolarHBondContact O-N 3.38Å; E12-R53 IonicContact OE2-CZ 3.35Å; E12-R53 IonicContact OE2-NH1 2.67Å; E12-R53 PolarHBondContact OE2-NH1 3.39Å; E12-R53 IonicContact OE2-NH2 3.66Å; E12-R53 PolarHBondContact OE2-NH2 3.18Å |
| 13 | D | 71.2 | Confident | 71.3 | Confident | 147 Ų | 147 | 92.7 Ų | 92.7 | 79% | 0.786 | 51% | 0.506 | S | S | * | . | trans | -99 | 33.5 | -172.9 | -62.9 | -18.8 | 0 | 0 | 0 | 112.3 | R8 | R8-D13 IonicContact CZ-OD1 3.48Å; R8-D13 IonicContact NE-OD1 3.45Å; R8-D13 PolarHBondContact NE-OD1 3.09Å; R8-D13 IonicContact NH2-OD1 2.76Å; R8-D13 PolarHBondContact NH2-OD1 3.1Å | ||
| 14 | E | 72.6 | Confident | 73 | Confident | 118 Ų | 118 | 93 Ų | 93 | 55% | 0.551 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -88.3 | 160.9 | 176.4 | -64.1 | -176.7 | 178.4 | 0 | 0 | 112.1 | E12 C16 R53 | E12-E14 VanDerWaalsContact C-N 3.32Å; E12-E14 PolarHBondContact O-N 3.38Å; E14-C16 PolarHBondContact O-N 3.28Å; E14-R53 IonicContact OE1-NH2 3.23Å; E14-R53 IonicContact OE2-CZ 3.41Å; E14-R53 IonicContact OE2-NE 3.25Å; E14-R53 PolarHBondContact OE2-NE 2.9Å; E14-R53 IonicContact OE2-NH2 3.27Å; E14-R53 PolarHBondContact OE2-NH2 3.45Å |
| 15 | N | 80.2 | Confident | 74.2 | Confident | 128 Ų | 128 | 88 Ų | 88 | 68% | 0.684 | 49% | 0.488 | S | S | * | . | trans | -58.3 | 131.9 | 176.6 | -68.4 | -24.9 | 0 | 0 | 0 | 110.8 | ||||
| 16 | C | 82.6 | Confident | 75.5 | Confident | 27 Ų | 27 | 87.3 Ų | 87.3 | 18% | 0.182 | 48% | 0.483 | C | S | . | . | trans | -130.4 | 162 | 175.5 | 63.9 | 0 | 0 | 0 | 0 | 111 | V7 V9 E14 R53 | V7-C16 PolarHBondContact O-SG 3.4Å; V9-C16 HydrophobicContact CB-CB 3.85Å; V9-C16 HydrophobicContact CG2-CB 3.77Å; E14-C16 PolarHBondContact O-N 3.28Å; C16-R53 WeakPolarHBondContact CA-O 3.39Å; C16-R53 HydrophobicContact CB-CB 4.36Å; C16-R53 WeakPolarHBondContact CB-O 3.48Å | ||
| 17 | L | 82.2 | Confident | 76.7 | Confident | 36 Ų | 36 | 79.5 Ų | 79.5 | 19% | 0.188 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 128.9 | 177.4 | -176.5 | 64 | 0 | 0 | 0 | 110.2 | A19 F43 L47 I49 R53 L54 A55 | L17-A19 HydrophobicContact CG-CB 4.39Å; L17-F43 HydrophobicContact CD2-CB 4.11Å; L17-F43 HydrophobicContact CD2-CD1 3.43Å; L17-F43 VanDerWaalsContact CD2-CD1 3.43Å; L17-F43 HydrophobicContact CD2-CD2 3.56Å; L17-F43 HydrophobicContact CD2-CE1 3.59Å; L17-F43 HydrophobicContact CD2-CE2 3.71Å; L17-F43 HydrophobicContact CD2-CG 3.42Å; L17-F43 VanDerWaalsContact CD2-CG 3.42Å; L17-F43 HydrophobicContact CD2-CZ 3.73Å; L17-L47 HydrophobicContact CD2-CD1 4.18Å; L17-I49 HydrophobicContact CB-CD1 3.62Å; L17-I49 HydrophobicContact CB-CG2 4.32Å; L17-I49 HydrophobicContact CD2-CD1 4.48Å; L17-R53 PolarHBondContact N-O 2.91Å; L17-L54 HydrophobicContact CB-CD1 3.86Å; L17-L54 HydrophobicContact CD2-CD1 3.77Å; L17-L54 HydrophobicContact CG-CD1 3.86Å; L17-A55 PolarHBondContact O-N 2.64Å |
| 18 | I | 83 | Confident | 77.7 | Confident | 101 Ų | 101 | 77.1 Ų | 77.1 | 52% | 0.518 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 125.6 | 160 | -63.6 | 176.7 | 0 | 0 | 0 | 107.1 | V7 A55 | V7-I18 HydrophobicContact CB-CD1 4.47Å; V7-I18 HydrophobicContact CG1-CD1 3.26Å; V7-I18 HydrophobicContact CG1-CG1 3.64Å; V7-I18 HydrophobicContact CG2-CD1 4.37Å; I18-A55 WeakPolarHBondContact CA-O 3.37Å; I18-A55 HydrophobicContact CG1-CB 4.15Å |
| 19 | A | 84.2 | Confident | 78.7 | Confident | 19 Ų | 19 | 74.8 Ų | 74.8 | 16% | 0.157 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 147.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | L17 F43 L54 A55 L56 Q57 | L17-A19 HydrophobicContact CG-CB 4.39Å; A19-F43 HydrophobicContact CB-CE2 4.3Å; A19-F43 HydrophobicContact CB-CZ 4.41Å; A19-L54 HydrophobicContact CB-CD1 4.43Å; A19-A55 PolarHBondContact N-O 2.94Å; A19-L56 HydrophobicContact CB-CD1 3.95Å; A19-L56 WeakPolarHBondContact O-CA 3.45Å; A19-Q57 PolarHBondContact O-N 3.46Å |
| 20 | T | 85.7 | Confident | 79.7 | Confident | 78 Ų | 78 | 79.9 Ų | 79.9 | 48% | 0.479 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 122.9 | 171.7 | -54.3 | 0 | 0 | 0 | 0 | 108.8 | Q57 | T20-Q57 CarbonylContact C-O 3.56Å; T20-Q57 WeakPolarHBondContact CA-O 3.34Å; T20-Q57 HydrophobicContact CG2-CB 4.31Å |
| 21 | L | 86.6 | Confident | 80.6 | Confident | 57 Ų | 57 | 80 Ų | 80 | 30% | 0.298 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 119.5 | 167.8 | -179.8 | 67.7 | 0 | 0 | 0 | 108.3 | I27 H35 L39 L56 Q57 L58 L59 | L21-I27 HydrophobicContact CD2-CD1 4.34Å; L21-I27 HydrophobicContact CG-CD1 4.03Å; L21-I27 WeakPolarHBondContact O-CD1 3.44Å; L21-H35 HydrophobicContact CD2-CB 4.26Å; L21-L39 HydrophobicContact CD2-CD1 4.13Å; L21-L56 HydrophobicContact CB-CD1 4.36Å; L21-Q57 PolarHBondContact N-O 2.79Å; L21-L58 HydrophobicContact CB-CD2 3.78Å; L21-L58 HydrophobicContact CD2-CD2 3.95Å; L21-L58 HydrophobicContact CG-CD2 4.36Å; L21-L59 PolarHBondContact O-N 3.03Å |
| 22 | S | 83.1 | Confident | 81.5 | Confident | 54 Ų | 54 | 76.6 Ų | 76.6 | 38% | 0.378 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 134.6 | 176 | -59.2 | 0 | 0 | 0 | 0 | 109.8 | L59 | S22-L59 WeakPolarHBondContact CA-O 3.48Å |
| 23 | S | 83.3 | Confident | 82.5 | Confident | 45 Ų | 45 | 77 Ų | 77 | 32% | 0.315 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 148.2 | 178.6 | -179 | 0 | 0 | 0 | 0 | 111.3 | G25 I27 L59 A61 | S23-G25 WeakPolarHBondContact CB-O 3.38Å; S23-G25 PolarHBondContact O-N 3.43Å; S23-G25 PolarHBondContact OG-O 2.9Å; S23-I27 VanDerWaalsContact N-CD1 3.32Å; S23-L59 PolarHBondContact N-O 2.67Å; S23-A61 PolarHBondContact O-N 3.49Å |
| 24 | I | 80 | Confident | 83.5 | Confident | 151 Ų | 151 | 74.4 Ų | 74.4 | 77% | 0.774 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -81.7 | 105.4 | 166 | -60 | 174 | 0 | 0 | 0 | 107 | A61 | I24-A61 HydrophobicContact CG1-CB 3.88Š|
| 25 | G | 76 | Confident | 84.4 | Confident | 36 Ų | 36 | 70.7 Ų | 70.7 | 37% | 0.371 | 40% | 0.398 | S | S | . | . | S | Bend | trans | 70.4 | 173.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113 | S23 I27 | S23-G25 WeakPolarHBondContact CB-O 3.38Å; S23-G25 PolarHBondContact O-N 3.43Å; S23-G25 PolarHBondContact OG-O 2.9Å; G25-I27 PolarHBondContact O-N 3.33Å |
| 26 | K | 82.2 | Confident | 84.8 | Confident | 137 Ų | 137 | 67.5 Ų | 67.5 | 60% | 0.596 | 38% | 0.38 | S | S | * | . | S | Bend | trans | 58.1 | 12.4 | -175.7 | -60.8 | -66.9 | -174.5 | 175.5 | 0 | 115.1 | F31 H35 | K26-F31 HydrophobicContact CD-CD1 4.06Å; K26-F31 HydrophobicContact CD-CE1 3.6Å; K26-F31 HydrophobicContact CD-CE2 4.18Å; K26-F31 HydrophobicContact CD-CZ 3.67Å; K26-F31 VanDerWaalsContact O-CB 3.26Å; K26-F31 WeakPolarHBondContact O-CB 3.31Å; K26-H35 PolarHBondContact O-CD2 3.03Å; K26-H35 PolarHBondContact O-NE2 2.87Å |
| 27 | I | 82.4 | Confident | 85.3 | Confident | 10 Ų | 10 | 70.5 Ų | 70.5 | 5% | 0.051 | 40% | 0.395 | C | S | . | . | trans | -116.7 | 136.1 | 161.1 | -64.3 | 175.9 | 0 | 0 | 0 | 106 | L21 S23 G25 N32 L58 L59 I60 | L21-I27 HydrophobicContact CD2-CD1 4.34Å; L21-I27 HydrophobicContact CG-CD1 4.03Å; L21-I27 WeakPolarHBondContact O-CD1 3.44Å; S23-I27 VanDerWaalsContact N-CD1 3.32Å; G25-I27 PolarHBondContact O-N 3.33Å; I27-N32 WeakPolarHBondContact CG2-OD1 3.38Å; I27-L58 HydrophobicContact CG2-CB 3.81Å; I27-L59 WeakPolarHBondContact CD1-O 3.33Å; I27-I60 HydrophobicContact CB-CG1 3.91Å; I27-I60 HydrophobicContact CG2-CG1 3.57Å; I27-I60 VanDerWaalsContact O-CD1 3.31Å; I27-I60 WeakPolarHBondContact O-CD1 3.31Å; I27-I60 WeakPolarHBondContact O-CG1 3.33Å | ||
| 28 | G | 80.8 | Confident | 85.8 | Confident | 14 Ų | 14 | 74.8 Ų | 74.8 | 14% | 0.144 | 41% | 0.411 | C | S | . | . | S | Bend | trans | 151.7 | 169.3 | -170.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | D30 F31 N32 | G28-D30 PolarHBondContact O-N 3.11Å; G28-F31 PolarHBondContact O-N 3.3Å; G28-N32 VanDerWaalsContact C-CG 3.49Å; G28-N32 PolarHBondContact N-OD1 2.93Å; G28-N32 WeakPolarHBondContact O-CB 3.26Å; G28-N32 PolarHBondContact O-N 2.88Å; G28-N32 PolarHBondContact O-OD1 2.85Å |
| 29 | A | 83.2 | Confident | 86.3 | Confident | 94 Ų | 94 | 71.9 Ų | 71.9 | 78% | 0.777 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -48.2 | -40 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F31 | A29-F31 VanDerWaalsContact C-N 3.3Å; A29-F31 PolarHBondContact O-N 3.18Å |
| 30 | D | 87 | Confident | 86.6 | Confident | 144 Ų | 144 | 71.8 Ų | 71.8 | 77% | 0.77 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -69 | -21.2 | -178.8 | -55.7 | -26.1 | 0 | 0 | 0 | 114.6 | G28 | G28-D30 PolarHBondContact O-N 3.11Å |
| 31 | F | 88.3 | Confident | 86.9 | Confident | 56 Ų | 56 | 70.8 Ų | 70.8 | 25% | 0.246 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -117.8 | -22.4 | -173.8 | -52.1 | -75.2 | 0 | 0 | 0 | 113.3 | K26 G28 A29 Q33 E34 H35 | K26-F31 HydrophobicContact CD-CD1 4.06Å; K26-F31 HydrophobicContact CD-CE1 3.6Å; K26-F31 HydrophobicContact CD-CE2 4.18Å; K26-F31 HydrophobicContact CD-CZ 3.67Å; K26-F31 VanDerWaalsContact O-CB 3.26Å; K26-F31 WeakPolarHBondContact O-CB 3.31Å; G28-F31 PolarHBondContact O-N 3.3Å; A29-F31 VanDerWaalsContact C-N 3.3Å; A29-F31 PolarHBondContact O-N 3.18Å; F31-Q33 VanDerWaalsContact C-N 3.33Å; F31-Q33 PolarHBondContact O-N 2.99Å; F31-E34 PolarHBondContact O-N 3.2Å; F31-H35 WeakPolarHBondContact CB-NE2 3.31Å; F31-H35 PolarHBondContact O-CD2 3Å; F31-H35 PolarHBondContact O-N 2.91Å |
| 32 | N | 88.6 | Confident | 87.3 | Confident | 49 Ų | 49 | 73.3 Ų | 73.3 | 26% | 0.262 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.8 | -41.1 | -169 | -76.9 | -0.6 | 0 | 0 | 0 | 112.7 | I27 G28 H35 L36 L58 | I27-N32 WeakPolarHBondContact CG2-OD1 3.38Å; G28-N32 VanDerWaalsContact C-CG 3.49Å; G28-N32 PolarHBondContact N-OD1 2.93Å; G28-N32 WeakPolarHBondContact O-CB 3.26Å; G28-N32 PolarHBondContact O-N 2.88Å; G28-N32 PolarHBondContact O-OD1 2.85Å; N32-H35 PolarHBondContact O-N 2.95Å; N32-L36 WeakPolarHBondContact O-CB 3.42Å; N32-L36 PolarHBondContact O-N 3.35Å; N32-L58 HydrophobicContact CB-CD1 3.58Å; N32-L58 WeakPolarHBondContact OD1-CD1 3.01Å |
| 33 | Q | 89 | Confident | 87.7 | Confident | 115 Ų | 115 | 72.3 Ų | 72.3 | 54% | 0.537 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.5 | -45 | 178.4 | -170.1 | 61.8 | 50.8 | 0 | 0 | 111.4 | F31 H35 L36 D37 | F31-Q33 VanDerWaalsContact C-N 3.33Å; F31-Q33 PolarHBondContact O-N 2.99Å; Q33-H35 VanDerWaalsContact C-N 3.31Å; Q33-H35 PolarHBondContact O-N 3.38Å; Q33-L36 WeakPolarHBondContact O-CB 3.09Å; Q33-L36 PolarHBondContact O-N 3.25Å; Q33-D37 PolarHBondContact NE2-OD1 3.36Å; Q33-D37 PolarHBondContact O-N 2.89Å |
| 34 | E | 92.1 | Very high | 88.1 | Confident | 93 Ų | 93 | 75 Ų | 75 | 44% | 0.435 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.8 | -42.3 | 177.4 | -172.5 | -168 | 154.5 | 0 | 0 | 111.7 | F31 K38 | F31-E34 PolarHBondContact O-N 3.2Å; E34-K38 HydrophobicContact CG-CD 4.3Å; E34-K38 WeakPolarHBondContact O-CB 3.42Å; E34-K38 WeakPolarHBondContact O-CG 3.33Å; E34-K38 PolarHBondContact O-N 3.47Å; E34-K38 VanDerWaalsContact O-N 3.11Å; E34-K38 WeakPolarHBondContact OE1-CE 3.33Å; E34-K38 IonicContact OE1-NZ 2.6Å; E34-K38 PolarHBondContact OE1-NZ 3.49Å |
| 35 | H | 91.1 | Very high | 88.7 | Confident | 41 Ų | 41 | 76 Ų | 76 | 19% | 0.19 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 176.1 | -67 | -43.4 | 0 | 0 | 0 | 112.3 | L21 K26 F31 N32 Q33 K38 L39 | L21-H35 HydrophobicContact CD2-CB 4.26Å; K26-H35 PolarHBondContact O-CD2 3.03Å; K26-H35 PolarHBondContact O-NE2 2.87Å; F31-H35 WeakPolarHBondContact CB-NE2 3.31Å; F31-H35 PolarHBondContact O-CD2 3Å; F31-H35 PolarHBondContact O-N 2.91Å; N32-H35 PolarHBondContact O-N 2.95Å; Q33-H35 VanDerWaalsContact C-N 3.31Å; Q33-H35 PolarHBondContact O-N 3.38Å; H35-K38 PolarHBondContact O-N 3.43Å; H35-L39 WeakPolarHBondContact O-CB 3.33Å; H35-L39 WeakPolarHBondContact O-CG 3.33Å; H35-L39 PolarHBondContact O-N 3.29Å |
| 36 | L | 89.8 | Confident | 89.5 | Confident | 61 Ų | 61 | 79.6 Ų | 79.6 | 32% | 0.319 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.5 | -50.3 | 177.2 | -178.9 | 63.3 | 0 | 0 | 0 | 110.2 | N32 Q33 K38 L39 C40 L56 | N32-L36 WeakPolarHBondContact O-CB 3.42Å; N32-L36 PolarHBondContact O-N 3.35Å; Q33-L36 WeakPolarHBondContact O-CB 3.09Å; Q33-L36 PolarHBondContact O-N 3.25Å; L36-K38 PolarHBondContact O-N 3.5Å; L36-L39 PolarHBondContact O-N 2.84Å; L36-C40 VanDerWaalsContact O-CB 3.27Å; L36-C40 WeakPolarHBondContact O-CB 3.42Å; L36-C40 PolarHBondContact O-N 3.24Å; L36-C40 PolarHBondContact O-SG 2.83Å; L36-L56 HydrophobicContact CD1-CB 4.39Å; L36-L56 HydrophobicContact CD1-CD2 3.94Å |
| 37 | D | 92 | Very high | 89.9 | Confident | 90 Ų | 90 | 77.3 Ų | 77.3 | 48% | 0.481 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.4 | -46 | -179.1 | -65.1 | -15.7 | 0 | 0 | 0 | 111.5 | Q33 A41 | Q33-D37 PolarHBondContact NE2-OD1 3.36Å; Q33-D37 PolarHBondContact O-N 2.89Å; D37-A41 WeakPolarHBondContact O-CB 3.48Å; D37-A41 PolarHBondContact O-N 3.26Å |
| 38 | K | 93.5 | Very high | 90.3 | Very high | 125 Ų | 125 | 83.7 Ų | 83.7 | 54% | 0.543 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 178.7 | -75.1 | 174.5 | 175.4 | 175.9 | 0 | 112.6 | E34 H35 L36 F42 | E34-K38 HydrophobicContact CG-CD 4.3Å; E34-K38 WeakPolarHBondContact O-CB 3.42Å; E34-K38 WeakPolarHBondContact O-CG 3.33Å; E34-K38 PolarHBondContact O-N 3.47Å; E34-K38 VanDerWaalsContact O-N 3.11Å; E34-K38 WeakPolarHBondContact OE1-CE 3.33Å; E34-K38 IonicContact OE1-NZ 2.6Å; E34-K38 PolarHBondContact OE1-NZ 3.49Å; H35-K38 PolarHBondContact O-N 3.43Å; L36-K38 PolarHBondContact O-N 3.5Å; K38-F42 WeakPolarHBondContact O-CB 3.49Å; K38-F42 PolarHBondContact O-N 2.84Å |
| 39 | L | 92.5 | Very high | 90.6 | Very high | 41 Ų | 41 | 83.7 Ų | 83.7 | 22% | 0.215 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -72.2 | -41.3 | -179.2 | -74.4 | 170.7 | 0 | 0 | 0 | 111.8 | L21 H35 L36 A41 F42 F43 L56 | L21-L39 HydrophobicContact CD2-CD1 4.13Å; H35-L39 WeakPolarHBondContact O-CB 3.33Å; H35-L39 WeakPolarHBondContact O-CG 3.33Å; H35-L39 PolarHBondContact O-N 3.29Å; L36-L39 PolarHBondContact O-N 2.84Å; L39-A41 PolarHBondContact O-N 2.9Å; L39-F42 PolarHBondContact O-N 3.47Å; L39-F43 HydrophobicContact CB-CD2 4.27Å; L39-F43 HydrophobicContact CB-CE2 4.09Å; L39-F43 HydrophobicContact CD2-CE2 4Å; L39-F43 HydrophobicContact CD2-CZ 4.34Å; L39-F43 WeakPolarHBondContact O-CD2 3.26Å; L39-F43 WeakPolarHBondContact O-CG 3.27Å; L39-F43 PolarHBondContact O-N 2.84Å; L39-L56 HydrophobicContact CB-CD2 4.47Å; L39-L56 HydrophobicContact CD1-CD1 3.93Å; L39-L56 HydrophobicContact CD1-CD2 3.61Å; L39-L56 HydrophobicContact CD1-CG 4.45Å |
| 40 | C | 91 | Very high | 90.7 | Very high | 17 Ų | 17 | 80.5 Ų | 80.5 | 12% | 0.115 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -55.2 | -52.3 | 172.1 | -75.8 | 0 | 0 | 0 | 0 | 110.7 | L36 F42 F43 Q44 P51 | L36-C40 VanDerWaalsContact O-CB 3.27Å; L36-C40 WeakPolarHBondContact O-CB 3.42Å; L36-C40 PolarHBondContact O-N 3.24Å; L36-C40 PolarHBondContact O-SG 2.83Å; C40-F42 VanDerWaalsContact C-N 3.31Å; C40-F42 PolarHBondContact O-N 3.1Å; C40-F43 PolarHBondContact O-N 3.07Å; C40-Q44 VanDerWaalsContact O-CB 3.26Å; C40-Q44 WeakPolarHBondContact O-CB 3.41Å; C40-Q44 PolarHBondContact O-N 2.81Å; C40-P51 HydrophobicContact CB-CB 4.43Å; C40-P51 HydrophobicContact CB-CG 4.35Å |
| 41 | A | 92.9 | Very high | 90.6 | Very high | 57 Ų | 57 | 76.4 Ų | 76.4 | 47% | 0.471 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.9 | -39.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D37 L39 K45 | D37-A41 WeakPolarHBondContact O-CB 3.48Å; D37-A41 PolarHBondContact O-N 3.26Å; L39-A41 PolarHBondContact O-N 2.9Å; A41-K45 VanDerWaalsContact O-CB 3.31Å; A41-K45 WeakPolarHBondContact O-CB 3.22Å; A41-K45 PolarHBondContact O-N 2.88Å; A41-K45 VanDerWaalsContact O-N 3.09Å |
| 42 | F | 94 | Very high | 90.4 | Very high | 109 Ų | 109 | 80.4 Ų | 80.4 | 48% | 0.478 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.1 | -50.9 | 176.8 | 176.9 | -96.3 | 0 | 0 | 0 | 112.1 | K38 L39 C40 K45 Q46 | K38-F42 WeakPolarHBondContact O-CB 3.49Å; K38-F42 PolarHBondContact O-N 2.84Å; L39-F42 PolarHBondContact O-N 3.47Å; C40-F42 VanDerWaalsContact C-N 3.31Å; C40-F42 PolarHBondContact O-N 3.1Å; F42-K45 PolarHBondContact O-N 3.31Å; F42-Q46 HydrophobicContact CD1-CG 4.46Å; F42-Q46 HydrophobicContact CD2-CG 4.03Å; F42-Q46 HydrophobicContact CE1-CG 4.15Å; F42-Q46 HydrophobicContact CE2-CG 3.7Å; F42-Q46 HydrophobicContact CG-CG 4.4Å; F42-Q46 HydrophobicContact CZ-CG 3.77Å; F42-Q46 WeakPolarHBondContact O-CB 3.22Å; F42-Q46 VanDerWaalsContact O-CG 3.31Å; F42-Q46 WeakPolarHBondContact O-CG 3.3Å; F42-Q46 PolarHBondContact O-N 3.06Å |
| 43 | F | 92.2 | Very high | 90.1 | Very high | 34 Ų | 34 | 79 Ų | 79 | 15% | 0.149 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -70.7 | -34.7 | -177.9 | -68.1 | -52.9 | 0 | 0 | 0 | 112.7 | L17 A19 L39 C40 K45 Q46 L47 N48 L54 | L17-F43 HydrophobicContact CD2-CB 4.11Å; L17-F43 HydrophobicContact CD2-CD1 3.43Å; L17-F43 VanDerWaalsContact CD2-CD1 3.43Å; L17-F43 HydrophobicContact CD2-CD2 3.56Å; L17-F43 HydrophobicContact CD2-CE1 3.59Å; L17-F43 HydrophobicContact CD2-CE2 3.71Å; L17-F43 HydrophobicContact CD2-CG 3.42Å; L17-F43 VanDerWaalsContact CD2-CG 3.42Å; L17-F43 HydrophobicContact CD2-CZ 3.73Å; A19-F43 HydrophobicContact CB-CE2 4.3Å; A19-F43 HydrophobicContact CB-CZ 4.41Å; L39-F43 HydrophobicContact CB-CD2 4.27Å; L39-F43 HydrophobicContact CB-CE2 4.09Å; L39-F43 HydrophobicContact CD2-CE2 4Å; L39-F43 HydrophobicContact CD2-CZ 4.34Å; L39-F43 WeakPolarHBondContact O-CD2 3.26Å; L39-F43 WeakPolarHBondContact O-CG 3.27Å; L39-F43 PolarHBondContact O-N 2.84Å; C40-F43 PolarHBondContact O-N 3.07Å; F43-K45 VanDerWaalsContact C-N 3.31Å; F43-K45 PolarHBondContact O-N 3.18Å; F43-Q46 PolarHBondContact O-N 3.06Å; F43-L47 HydrophobicContact CD1-CD1 3.78Å; F43-L47 HydrophobicContact CD1-CG 4.47Å; F43-L47 HydrophobicContact CE1-CD1 4.4Å; F43-L47 WeakPolarHBondContact O-CA 3.45Å; F43-L47 WeakPolarHBondContact O-CB 3.46Å; F43-L47 PolarHBondContact O-N 2.88Å; F43-N48 PolarHBondContact O-N 3.24Å; F43-L54 HydrophobicContact CD2-CD1 4.12Å; F43-L54 HydrophobicContact CD2-CD2 4.04Å; F43-L54 HydrophobicContact CE2-CD1 4.41Å |
| 44 | Q | 90.8 | Very high | 89.9 | Confident | 101 Ų | 101 | 74.6 Ų | 74.6 | 47% | 0.472 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.9 | -44.9 | 170.8 | -170.8 | 174.7 | 22.2 | 0 | 0 | 110.8 | C40 N48 I49 | C40-Q44 VanDerWaalsContact O-CB 3.26Å; C40-Q44 WeakPolarHBondContact O-CB 3.41Å; C40-Q44 PolarHBondContact O-N 2.81Å; Q44-N48 VanDerWaalsContact O-CA 3.22Å; Q44-N48 WeakPolarHBondContact O-CA 3.27Å; Q44-N48 PolarHBondContact O-N 2.87Å; Q44-N48 VanDerWaalsContact O-N 3.1Å; Q44-I49 VanDerWaalsContact CA-O 3.22Å; Q44-I49 WeakPolarHBondContact CA-O 3.35Å; Q44-I49 WeakPolarHBondContact CB-O 3.21Å |
| 45 | K | 94.1 | Very high | 89.4 | Confident | 171 Ų | 171 | 72.1 Ų | 72.1 | 74% | 0.743 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -68 | -42.7 | 178.7 | -178.3 | 178.1 | 177.4 | 179.3 | 0 | 113.5 | A41 F42 F43 | A41-K45 VanDerWaalsContact O-CB 3.31Å; A41-K45 WeakPolarHBondContact O-CB 3.22Å; A41-K45 PolarHBondContact O-N 2.88Å; A41-K45 VanDerWaalsContact O-N 3.09Å; F42-K45 PolarHBondContact O-N 3.31Å; F43-K45 VanDerWaalsContact C-N 3.31Å; F43-K45 PolarHBondContact O-N 3.18Å |
| 46 | Q | 92.5 | Very high | 89 | Confident | 112 Ų | 112 | 71.9 Ų | 71.9 | 52% | 0.523 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -90.6 | -31.5 | -170.6 | -63.8 | -60.3 | -36.6 | 0 | 0 | 113.6 | F42 F43 | F42-Q46 HydrophobicContact CD1-CG 4.46Å; F42-Q46 HydrophobicContact CD2-CG 4.03Å; F42-Q46 HydrophobicContact CE1-CG 4.15Å; F42-Q46 HydrophobicContact CE2-CG 3.7Å; F42-Q46 HydrophobicContact CG-CG 4.4Å; F42-Q46 HydrophobicContact CZ-CG 3.77Å; F42-Q46 WeakPolarHBondContact O-CB 3.22Å; F42-Q46 VanDerWaalsContact O-CG 3.31Å; F42-Q46 WeakPolarHBondContact O-CG 3.3Å; F42-Q46 PolarHBondContact O-N 3.06Å; F43-Q46 PolarHBondContact O-N 3.06Å |
| 47 | L | 90.6 | Very high | 88.7 | Confident | 90 Ų | 90 | 74.7 Ų | 74.7 | 47% | 0.471 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -121.7 | -3.1 | -172.7 | -56.5 | 179.6 | 0 | 0 | 0 | 113.3 | L17 F43 I49 | L17-L47 HydrophobicContact CD2-CD1 4.18Å; F43-L47 HydrophobicContact CD1-CD1 3.78Å; F43-L47 HydrophobicContact CD1-CG 4.47Å; F43-L47 HydrophobicContact CE1-CD1 4.4Å; F43-L47 WeakPolarHBondContact O-CA 3.45Å; F43-L47 WeakPolarHBondContact O-CB 3.46Å; F43-L47 PolarHBondContact O-N 2.88Å; L47-I49 VanDerWaalsContact C-N 3.27Å; L47-I49 HydrophobicContact CB-CD1 3.87Å; L47-I49 HydrophobicContact CB-CG1 3.9Å; L47-I49 HydrophobicContact CD1-CD1 4.15Å; L47-I49 PolarHBondContact O-N 3.29Å |
| 48 | N | 91.1 | Very high | 88.1 | Confident | 143 Ų | 143 | 72.5 Ų | 72.5 | 77% | 0.765 | 37% | 0.369 | S | S | * | . | trans | 56 | 40 | -175.3 | -165.5 | 50.4 | 0 | 0 | 0 | 113.1 | F43 Q44 | F43-N48 PolarHBondContact O-N 3.24Å; Q44-N48 VanDerWaalsContact O-CA 3.22Å; Q44-N48 WeakPolarHBondContact O-CA 3.27Å; Q44-N48 PolarHBondContact O-N 2.87Å; Q44-N48 VanDerWaalsContact O-N 3.1Å | ||
| 49 | I | 87 | Confident | 87.2 | Confident | 14 Ų | 14 | 69.4 Ų | 69.4 | 7% | 0.072 | 36% | 0.358 | C | S | . | . | trans | -103 | 124.5 | 177.8 | -61.5 | 180 | 0 | 0 | 0 | 108.6 | L17 Q44 L47 R53 | L17-I49 HydrophobicContact CB-CD1 3.62Å; L17-I49 HydrophobicContact CB-CG2 4.32Å; L17-I49 HydrophobicContact CD2-CD1 4.48Å; Q44-I49 VanDerWaalsContact CA-O 3.22Å; Q44-I49 WeakPolarHBondContact CA-O 3.35Å; Q44-I49 WeakPolarHBondContact CB-O 3.21Å; L47-I49 VanDerWaalsContact C-N 3.27Å; L47-I49 HydrophobicContact CB-CD1 3.87Å; L47-I49 HydrophobicContact CB-CG1 3.9Å; L47-I49 HydrophobicContact CD1-CD1 4.15Å; L47-I49 PolarHBondContact O-N 3.29Å; I49-R53 HydrophobicContact CG2-CB 3.84Å | ||
| 50 | S | 85 | Confident | 86.4 | Confident | 27 Ų | 27 | 71 Ų | 71 | 19% | 0.189 | 37% | 0.366 | C | S | . | . | trans | -74.5 | 151.8 | 178.1 | 61.7 | 0 | 0 | 0 | 0 | 111.8 | E52 R53 | S50-E52 VanDerWaalsContact CB-CD 3.42Å; S50-E52 WeakPolarHBondContact CB-OE1 3.42Å; S50-E52 WeakPolarHBondContact CB-OE2 3.4Å; S50-E52 PolarHBondContact O-N 3.39Å; S50-E52 PolarHBondContact OG-OE1 3.05Å; S50-R53 WeakPolarHBondContact O-CB 3.44Å; S50-R53 PolarHBondContact O-N 2.91Å; S50-R53 WeakPolarHBondContact OG-CG 3.37Å | ||
| 51 | P | 84.4 | Confident | 85.3 | Confident | 59 Ų | 59 | 72 Ų | 72 | 38% | 0.383 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -54.1 | -36.3 | -176.6 | -28.5 | 36.5 | 0 | 0 | 0 | 114.7 | C40 R53 L54 | C40-P51 HydrophobicContact CB-CB 4.43Å; C40-P51 HydrophobicContact CB-CG 4.35Å; P51-R53 PolarHBondContact O-N 3.35Å; P51-L54 PolarHBondContact O-N 3.27Å; P51-L54 VanDerWaalsContact O-N 3.17Å |
| 52 | E | 84.7 | Confident | 83.8 | Confident | 140 Ų | 140 | 73 Ų | 73 | 65% | 0.654 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -69.5 | -13.6 | 177.8 | 64.9 | -80.4 | -178.4 | 0 | 0 | 114.1 | S50 | S50-E52 VanDerWaalsContact CB-CD 3.42Å; S50-E52 WeakPolarHBondContact CB-OE1 3.42Å; S50-E52 WeakPolarHBondContact CB-OE2 3.4Å; S50-E52 PolarHBondContact O-N 3.39Å; S50-E52 PolarHBondContact OG-OE1 3.05Å |
| 53 | R | 82.9 | Confident | 81.5 | Confident | 19 Ų | 19 | 76.1 Ų | 76.1 | 7% | 0.072 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -100.2 | 3.4 | 175 | -63.4 | -69.9 | -155.8 | -141.5 | -8.3 | 113.1 | E12 E14 C16 L17 I49 S50 P51 | E12-R53 IonicContact OE2-CZ 3.35Å; E12-R53 IonicContact OE2-NH1 2.67Å; E12-R53 PolarHBondContact OE2-NH1 3.39Å; E12-R53 IonicContact OE2-NH2 3.66Å; E12-R53 PolarHBondContact OE2-NH2 3.18Å; E14-R53 IonicContact OE1-NH2 3.23Å; E14-R53 IonicContact OE2-CZ 3.41Å; E14-R53 IonicContact OE2-NE 3.25Å; E14-R53 PolarHBondContact OE2-NE 2.9Å; E14-R53 IonicContact OE2-NH2 3.27Å; E14-R53 PolarHBondContact OE2-NH2 3.45Å; C16-R53 WeakPolarHBondContact CA-O 3.39Å; C16-R53 HydrophobicContact CB-CB 4.36Å; C16-R53 WeakPolarHBondContact CB-O 3.48Å; L17-R53 PolarHBondContact N-O 2.91Å; I49-R53 HydrophobicContact CG2-CB 3.84Å; S50-R53 WeakPolarHBondContact O-CB 3.44Å; S50-R53 PolarHBondContact O-N 2.91Å; S50-R53 WeakPolarHBondContact OG-CG 3.37Å; P51-R53 PolarHBondContact O-N 3.35Å |
| 54 | L | 83.3 | Confident | 79.4 | Confident | 23 Ų | 23 | 79.2 Ų | 79.2 | 12% | 0.12 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 118.9 | 176.4 | 178.4 | 62.6 | 0 | 0 | 0 | 110.7 | L17 A19 F43 P51 L56 | L17-L54 HydrophobicContact CB-CD1 3.86Å; L17-L54 HydrophobicContact CD2-CD1 3.77Å; L17-L54 HydrophobicContact CG-CD1 3.86Å; A19-L54 HydrophobicContact CB-CD1 4.43Å; F43-L54 HydrophobicContact CD2-CD1 4.12Å; F43-L54 HydrophobicContact CD2-CD2 4.04Å; F43-L54 HydrophobicContact CE2-CD1 4.41Å; P51-L54 PolarHBondContact O-N 3.27Å; P51-L54 VanDerWaalsContact O-N 3.17Å; L54-L56 HydrophobicContact CG-CB 4.38Å |
| 55 | A | 82.5 | Confident | 76.9 | Confident | 40 Ų | 40 | 83.5 Ų | 83.5 | 33% | 0.331 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 107.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | V9 L17 I18 A19 | V9-A55 HydrophobicContact CG2-CB 4.44Å; L17-A55 PolarHBondContact O-N 2.64Å; I18-A55 WeakPolarHBondContact CA-O 3.37Å; I18-A55 HydrophobicContact CG1-CB 4.15Å; A19-A55 PolarHBondContact N-O 2.94Å |
| 56 | L | 82.5 | Confident | 74.3 | Confident | 36 Ų | 36 | 79.6 Ų | 79.6 | 19% | 0.188 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 115.8 | -179.8 | -178.6 | 63.6 | 0 | 0 | 0 | 110.8 | A19 L21 L36 L39 L54 L58 | A19-L56 HydrophobicContact CB-CD1 3.95Å; A19-L56 WeakPolarHBondContact O-CA 3.45Å; L21-L56 HydrophobicContact CB-CD1 4.36Å; L36-L56 HydrophobicContact CD1-CB 4.39Å; L36-L56 HydrophobicContact CD1-CD2 3.94Å; L39-L56 HydrophobicContact CB-CD2 4.47Å; L39-L56 HydrophobicContact CD1-CD1 3.93Å; L39-L56 HydrophobicContact CD1-CD2 3.61Å; L39-L56 HydrophobicContact CD1-CG 4.45Å; L54-L56 HydrophobicContact CG-CB 4.38Å; L56-L58 HydrophobicContact CD1-CD2 4.32Å; L56-L58 HydrophobicContact CD2-CD2 3.74Å; L56-L58 HydrophobicContact CD2-CG 4.28Å; L56-L58 HydrophobicContact CG-CD2 3.82Å; L56-L58 HydrophobicContact CG-CG 4.22Å |
| 57 | Q | 83.2 | Confident | 71.5 | Confident | 120 Ų | 120 | 82.5 Ų | 82.5 | 56% | 0.561 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 118.1 | 170 | -169.1 | 177.2 | 28.9 | 0 | 0 | 110 | A19 T20 L21 | A19-Q57 PolarHBondContact O-N 3.46Å; T20-Q57 CarbonylContact C-O 3.56Å; T20-Q57 WeakPolarHBondContact CA-O 3.34Å; T20-Q57 HydrophobicContact CG2-CB 4.31Å; L21-Q57 PolarHBondContact N-O 2.79Å |
| 58 | L | 79.3 | Confident | 68.9 | Low | 45 Ų | 45 | 87.3 Ų | 87.3 | 24% | 0.236 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 112.4 | 175.4 | -63.4 | -178 | 0 | 0 | 0 | 109.6 | L21 I27 N32 L56 | L21-L58 HydrophobicContact CB-CD2 3.78Å; L21-L58 HydrophobicContact CD2-CD2 3.95Å; L21-L58 HydrophobicContact CG-CD2 4.36Å; I27-L58 HydrophobicContact CG2-CB 3.81Å; N32-L58 HydrophobicContact CB-CD1 3.58Å; N32-L58 WeakPolarHBondContact OD1-CD1 3.01Å; L56-L58 HydrophobicContact CD1-CD2 4.32Å; L56-L58 HydrophobicContact CD2-CD2 3.74Å; L56-L58 HydrophobicContact CD2-CG 4.28Å; L56-L58 HydrophobicContact CG-CD2 3.82Å; L56-L58 HydrophobicContact CG-CG 4.22Å |
| 59 | L | 75.4 | Confident | 66.3 | Low | 59 Ų | 59 | 87.1 Ų | 87.1 | 31% | 0.309 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 112.6 | -177.5 | -173.1 | 71 | 0 | 0 | 0 | 110.8 | L21 S22 S23 I27 A61 | L21-L59 PolarHBondContact O-N 3.03Å; S22-L59 WeakPolarHBondContact CA-O 3.48Å; S23-L59 PolarHBondContact N-O 2.67Å; I27-L59 WeakPolarHBondContact CD1-O 3.33Å; L59-A61 PolarHBondContact O-N 2.88Å |
| 60 | I | 75.2 | Confident | 63.8 | Low | 76 Ų | 76 | 92.7 Ų | 92.7 | 39% | 0.39 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 113.4 | 171.2 | -50.4 | 176.3 | 0 | 0 | 0 | 108.2 | I27 S62 | I27-I60 HydrophobicContact CB-CG1 3.91Å; I27-I60 HydrophobicContact CG2-CG1 3.57Å; I27-I60 VanDerWaalsContact O-CD1 3.31Å; I27-I60 WeakPolarHBondContact O-CD1 3.31Å; I27-I60 WeakPolarHBondContact O-CG1 3.33Å; I60-S62 PolarHBondContact O-N 2.71Å |
| 61 | A | 67.1 | Low | 61.6 | Low | 38 Ų | 38 | 98.1 Ų | 98.1 | 31% | 0.314 | 51% | 0.514 | S | S | . | . | trans | -76.2 | 73.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | S23 I24 L59 | S23-A61 PolarHBondContact O-N 3.49Å; I24-A61 HydrophobicContact CG1-CB 3.88Å; L59-A61 PolarHBondContact O-N 2.88Å | ||
| 62 | S | 62.2 | Low | 59.9 | Low | 77 Ų | 77 | 104.1 Ų | 104.1 | 54% | 0.538 | 54% | 0.536 | S | S | . | . | trans | -104.1 | 149.5 | 174.7 | 64.4 | 0 | 0 | 0 | 0 | 110.9 | I60 S64 | I60-S62 PolarHBondContact O-N 2.71Å; S62-S64 VanDerWaalsContact C-N 3.3Å; S62-S64 PolarHBondContact O-N 3.31Å | ||
| 63 | N | 46.6 | Very low | 58.1 | Low | 175 Ų | 175 | 102.5 Ų | 102.5 | 94% | 0.936 | 53% | 0.531 | S | S | * | . | trans | -71.6 | 86.9 | 171.3 | -71.9 | -29.3 | 0 | 0 | 0 | 108.7 | ||||
| 64 | S | 47.8 | Very low | 57 | Low | 99 Ų | 99 | 103.9 Ų | 103.9 | 69% | 0.692 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -71 | 131.5 | 170.9 | 45 | 0 | 0 | 0 | 0 | 110.4 | S62 | S62-S64 VanDerWaalsContact C-N 3.3Å; S62-S64 PolarHBondContact O-N 3.31Å |
| 65 | F | 36.7 | Very low | 56.3 | Low | 190 Ų | 190 | 107.3 Ų | 107.3 | 83% | 0.833 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 126.6 | -177.4 | -165.9 | -99.7 | 0 | 0 | 0 | 111.7 | ||
| 66 | Q | 40.4 | Very low | 56.5 | Low | 89 Ų | 89 | 106.1 Ų | 106.1 | 42% | 0.416 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -82.8 | 122.1 | 176.6 | -70.7 | -162.4 | -43.4 | 0 | 0 | 111.4 | V143 D176 | Q66-V143 PolarHBondContact NE2-O 3.04Å; Q66-D176 PolarHBondContact NE2-OD2 3.09Å |
| 67 | F | 33.8 | Very low | 57 | Low | 174 Ų | 174 | 104.4 Ų | 104.4 | 76% | 0.763 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -76.8 | 118.9 | 163.6 | -124.5 | -96.2 | 0 | 0 | 0 | 108.9 | H69 | F67-H69 PolarHBondContact O-N 3.1Š|
| 68 | K | 35.5 | Very low | 57.6 | Low | 190 Ų | 190 | 101.4 Ų | 101.4 | 83% | 0.826 | 52% | 0.523 | S | S | * | . | trans | -89.5 | 95.8 | 174.2 | -72.7 | -177.4 | 179 | 177.9 | 0 | 109.6 | ||||
| 69 | H | 37 | Very low | 58.5 | Low | 140 Ų | 140 | 99.2 Ų | 99.2 | 65% | 0.648 | 51% | 0.512 | S | S | * | . | trans | -115.6 | 130.1 | 154.1 | -90.5 | -49 | 0 | 0 | 0 | 109.4 | F67 I71 | F67-H69 PolarHBondContact O-N 3.1Å; H69-I71 HydrophobicContact CB-CD1 4.31Å; H69-I71 HydrophobicContact CB-CG1 4.35Å; H69-I71 PolarHBondContact O-N 3.1Å | ||
| 70 | P | 34.6 | Very low | 59.5 | Low | 131 Ų | 131 | 98 Ų | 98 | 85% | 0.851 | 51% | 0.506 | S | S | * | . | trans | -78.4 | 90.7 | 174.9 | 31.3 | -28.8 | 0 | 0 | 0 | 108.4 | ||||
| 71 | I | 39.4 | Very low | 60.6 | Low | 141 Ų | 141 | 94.3 Ų | 94.3 | 72% | 0.723 | 49% | 0.488 | S | S | * | . | trans | -124.1 | 138.2 | 170.9 | -57.8 | 174.3 | 0 | 0 | 0 | 107.3 | H69 L73 | H69-I71 HydrophobicContact CB-CD1 4.31Å; H69-I71 HydrophobicContact CB-CG1 4.35Å; H69-I71 PolarHBondContact O-N 3.1Å; I71-L73 PolarHBondContact O-N 3.28Å | ||
| 72 | Q | 47.3 | Very low | 62.1 | Low | 185 Ų | 185 | 93.6 Ų | 93.6 | 86% | 0.864 | 48% | 0.481 | S | S | * | . | trans | -42.6 | 128.3 | -174.4 | -67.5 | 173.6 | -5.6 | 0 | 0 | 112.6 | P74 | Q72-P74 VanDerWaalsContact O-CD 3.3Å; Q72-P74 WeakPolarHBondContact O-CD 3.19Å | ||
| 73 | L | 48 | Very low | 63.8 | Low | 105 Ų | 105 | 90 Ų | 90 | 55% | 0.55 | 46% | 0.455 | S | S | . | . | trans | -54.7 | 113.7 | -169.9 | -72.5 | 162.6 | 0 | 0 | 0 | 112.5 | I71 | I71-L73 PolarHBondContact O-N 3.28Š| ||
| 74 | P | 59.3 | Low | 66.2 | Low | 49 Ų | 49 | 83 Ų | 83 | 32% | 0.318 | 42% | 0.418 | S | S | . | . | trans | -69.9 | 143.6 | 177.1 | -9.3 | 22.7 | 0 | 0 | 0 | 111.5 | Q72 M76 K108 L140 | Q72-P74 VanDerWaalsContact O-CD 3.3Å; Q72-P74 WeakPolarHBondContact O-CD 3.19Å; P74-M76 PolarHBondContact O-N 2.86Å; P74-K108 WeakPolarHBondContact O-CE 3.45Å; P74-K108 PolarHBondContact O-NZ 3.08Å; P74-L140 HydrophobicContact CB-CB 3.63Å; P74-L140 HydrophobicContact CB-CD1 3.55Å; P74-L140 HydrophobicContact CB-CG 4.2Å; P74-L140 HydrophobicContact CG-CB 3.96Å; P74-L140 HydrophobicContact CG-CD1 4.48Å | ||
| 75 | K | 69.2 | Low | 68.6 | Low | 94 Ų | 94 | 78.8 Ų | 78.8 | 41% | 0.409 | 39% | 0.388 | S | S | . | . | trans | -97.8 | 68.7 | -158.5 | -50 | 177 | -170.2 | 171.7 | 0 | 111.2 | Y112 | K75-Y112 HydrophobicContact CB-CD1 3.56Å; K75-Y112 HydrophobicContact CB-CD2 3.53Å; K75-Y112 HydrophobicContact CB-CE1 3.7Å; K75-Y112 HydrophobicContact CB-CE2 3.73Å; K75-Y112 HydrophobicContact CB-CG 3.42Å; K75-Y112 VanDerWaalsContact CB-CG 3.42Å; K75-Y112 HydrophobicContact CD-CD2 3.78Å; K75-Y112 HydrophobicContact CD-CE1 4.05Å; K75-Y112 HydrophobicContact CD-CE2 3.15Å; K75-Y112 HydrophobicContact CD-CG 4.44Å; K75-Y112 WeakPolarHBondContact CD-OH 3.34Å; K75-Y112 HydrophobicContact CG-CD2 4.22Å; K75-Y112 HydrophobicContact CG-CE2 4.06Å; K75-Y112 PolarHBondContact NZ-OH 3.49Å; K75-Y112 WeakPolarHBondContact O-CB 3.12Å; K75-Y112 WeakPolarHBondContact O-CD1 3.36Å | ||
| 76 | M | 85.7 | Confident | 71.5 | Confident | 16 Ų | 16 | 72.1 Ų | 72.1 | 8% | 0.079 | 36% | 0.364 | C | S | . | . | trans | -155.2 | 106.5 | 174.2 | -168.7 | -73.8 | -75 | 0 | 0 | 110.2 | P74 I78 S139 L140 V182 F189 | P74-M76 PolarHBondContact O-N 2.86Å; M76-I78 HydrophobicContact CE-CD1 4.16Å; M76-I78 HydrophobicContact SD-CB 4.25Å; M76-I78 HydrophobicContact SD-CD1 3.5Å; M76-I78 VanDerWaalsContact SD-CD1 3.5Å; M76-I78 HydrophobicContact SD-CG1 3.5Å; M76-I78 WeakPolarHBondContact SD-CG1 3.43Å; M76-S139 WeakPolarHBondContact O-CA 3.24Å; M76-S139 PolarHBondContact O-OG 2.86Å; M76-L140 HydrophobicContact CB-CD1 4.03Å; M76-L140 HydrophobicContact CB-CG 4.36Å; M76-L140 HydrophobicContact CE-CG 4.45Å; M76-L140 PolarHBondContact O-N 3.01Å; M76-V182 HydrophobicContact CE-CB 4Å; M76-V182 HydrophobicContact CE-CG1 3.28Å; M76-V182 HydrophobicContact CE-CG2 3.46Å; M76-V182 VanDerWaalsContact CE-CG2 3.46Å; M76-V182 HydrophobicContact CG-CG1 4.09Å; M76-V182 HydrophobicContact SD-CG1 4.39Å; M76-F189 HydrophobicContact CB-CD2 4.46Å; M76-F189 HydrophobicContact CB-CE1 4.49Å; M76-F189 HydrophobicContact CB-CE2 3.65Å; M76-F189 HydrophobicContact CB-CZ 3.68Å; M76-F189 HydrophobicContact CG-CE2 3.88Å; M76-F189 HydrophobicContact CG-CZ 4.2Å | ||
| 77 | P | 93.8 | Very high | 74.1 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 134 | 155.2 | 34.3 | -30.6 | 0 | 0 | 0 | 112.3 | I102 L106 K108 Y112 V113 A114 L137 L138 | P77-I102 HydrophobicContact CB-CG2 3.94Å; P77-I102 HydrophobicContact CG-CG2 3.95Å; P77-L106 HydrophobicContact CB-CD1 3.48Å; P77-L106 VanDerWaalsContact CB-CD1 3.48Å; P77-L106 HydrophobicContact CG-CD1 3.98Å; P77-K108 HydrophobicContact CG-CD 4.39Å; P77-Y112 WeakPolarHBondContact CD-O 3.38Å; P77-V113 HydrophobicContact CG-CB 4.18Å; P77-V113 HydrophobicContact CG-CG1 4.27Å; P77-V113 HydrophobicContact CG-CG2 3.67Å; P77-V113 WeakPolarHBondContact O-CA 3.25Å; P77-A114 PolarHBondContact O-N 2.91Å; P77-L137 HydrophobicContact CB-CD1 4.22Å; P77-L138 CarbonylContact C-O 3.57Å; P77-L138 WeakPolarHBondContact CA-O 3.5Å |
| 78 | I | 95.5 | Very high | 77.1 | Confident | 56 Ų | 56 | 69.1 Ų | 69.1 | 29% | 0.287 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 123.7 | 167.6 | -67.2 | 156.8 | 0 | 0 | 0 | 107.5 | M76 T80 A114 L138 | M76-I78 HydrophobicContact CE-CD1 4.16Å; M76-I78 HydrophobicContact SD-CB 4.25Å; M76-I78 HydrophobicContact SD-CD1 3.5Å; M76-I78 VanDerWaalsContact SD-CD1 3.5Å; M76-I78 HydrophobicContact SD-CG1 3.5Å; M76-I78 WeakPolarHBondContact SD-CG1 3.43Å; I78-T80 HydrophobicContact CG2-CG2 3.74Å; I78-A114 WeakPolarHBondContact CA-O 3.46Å; I78-A114 HydrophobicContact CG1-CB 4.03Å; I78-L138 HydrophobicContact CB-CB 4.32Å; I78-L138 HydrophobicContact CB-CD1 4.15Å; I78-L138 HydrophobicContact CG2-CD1 4.18Å; I78-L138 PolarHBondContact N-O 2.91Å; I78-L138 PolarHBondContact O-N 2.86Å |
| 79 | F | 97.7 | Very high | 80 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 116.4 | 168.4 | -178 | -120.6 | 0 | 0 | 0 | 109.8 | F81 T98 I102 A114 V115 H116 Q136 L137 L155 L159 I172 | F79-F81 HydrophobicContact CE1-CB 3.81Å; F79-F81 HydrophobicContact CE1-CG 4.39Å; F79-F81 HydrophobicContact CE2-CB 4.44Å; F79-F81 HydrophobicContact CE2-CD2 4.41Å; F79-F81 HydrophobicContact CZ-CB 3.72Å; F79-F81 AromaticContact CZ-CD2 3.83Å; F79-F81 HydrophobicContact CZ-CD2 3.83Å; F79-F81 AromaticContact CZ-CG 4Å; F79-F81 HydrophobicContact CZ-CG 4Å; F79-T98 HydrophobicContact CD1-CG2 3.75Å; F79-T98 HydrophobicContact CE1-CG2 3.99Å; F79-I102 HydrophobicContact CB-CD1 3.34Å; F79-I102 HydrophobicContact CD1-CD1 3.94Å; F79-I102 HydrophobicContact CG-CD1 3.79Å; F79-A114 PolarHBondContact N-O 3.25Å; F79-V115 HydrophobicContact CD1-CG1 4.32Å; F79-V115 WeakPolarHBondContact O-CA 3.33Å; F79-H116 PolarHBondContact O-N 2.91Å; F79-Q136 WeakPolarHBondContact CA-O 3.41Å; F79-Q136 WeakPolarHBondContact CD2-O 3.44Å; F79-L137 HydrophobicContact CB-CD1 4.03Å; F79-L137 HydrophobicContact CD2-CB 4.17Å; F79-L137 HydrophobicContact CD2-CD1 4.46Å; F79-L155 HydrophobicContact CZ-CD2 4.38Å; F79-L159 HydrophobicContact CZ-CD1 4.28Å; F79-I172 HydrophobicContact CE2-CD1 4.14Å; F79-I172 HydrophobicContact CE2-CG2 4.24Å; F79-I172 HydrophobicContact CZ-CD1 4.3Å |
| 80 | T | 97.3 | Very high | 82.9 | Confident | 32 Ų | 32 | 59.7 Ų | 59.7 | 20% | 0.196 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 131.5 | 170.8 | 65.7 | 0 | 0 | 0 | 0 | 110 | I78 H116 G135 Q136 | I78-T80 HydrophobicContact CG2-CG2 3.74Å; T80-H116 CarbonylContact C-O 3.45Å; T80-H116 VanDerWaalsContact CA-O 3.24Å; T80-H116 WeakPolarHBondContact CA-O 3.31Å; T80-H116 HydrophobicContact CG2-CB 4.21Å; T80-G135 CarbonylContact O-C 3.55Å; T80-G135 WeakPolarHBondContact O-CA 3.36Å; T80-Q136 PolarHBondContact N-O 3.44Å; T80-Q136 PolarHBondContact O-N 2.78Å; T80-Q136 WeakPolarHBondContact OG1-CG 3.24Å; T80-Q136 PolarHBondContact OG1-NE2 2.83Å |
| 81 | F | 98 | Very high | 85.8 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 130.4 | -179.3 | -166.6 | -102.7 | 0 | 0 | 0 | 111 | F79 H116 I117 N118 L159 I165 M170 I172 | F79-F81 HydrophobicContact CE1-CB 3.81Å; F79-F81 HydrophobicContact CE1-CG 4.39Å; F79-F81 HydrophobicContact CE2-CB 4.44Å; F79-F81 HydrophobicContact CE2-CD2 4.41Å; F79-F81 HydrophobicContact CZ-CB 3.72Å; F79-F81 AromaticContact CZ-CD2 3.83Å; F79-F81 HydrophobicContact CZ-CD2 3.83Å; F79-F81 AromaticContact CZ-CG 4Å; F79-F81 HydrophobicContact CZ-CG 4Å; F81-H116 PolarHBondContact N-O 3.23Å; F81-I117 HydrophobicContact CB-CG1 4.38Å; F81-I117 HydrophobicContact CD1-CG2 4.47Å; F81-I117 CarbonylContact O-C 3.43Å; F81-I117 VanDerWaalsContact O-CA 3.24Å; F81-I117 WeakPolarHBondContact O-CA 3.41Å; F81-N118 PolarHBondContact O-N 3.19Å; F81-L159 HydrophobicContact CD1-CD2 4.09Å; F81-L159 HydrophobicContact CD2-CD1 4.23Å; F81-L159 HydrophobicContact CE1-CD1 4.35Å; F81-L159 HydrophobicContact CE1-CD2 4.06Å; F81-L159 HydrophobicContact CE2-CD1 3.84Å; F81-L159 HydrophobicContact CG-CD2 4.48Å; F81-L159 HydrophobicContact CZ-CD1 3.9Å; F81-L159 HydrophobicContact CZ-CD2 4.44Å; F81-I165 HydrophobicContact CE1-CD1 3.81Å; F81-I165 HydrophobicContact CZ-CD1 4.24Å; F81-M170 HydrophobicContact CZ-CG 4.09Å; F81-M170 HydrophobicContact CZ-SD 3.95Å; F81-I172 HydrophobicContact CE2-CG1 4.35Å |
| 82 | S | 97.7 | Very high | 88.5 | Confident | 23 Ų | 23 | 54.3 Ų | 54.3 | 16% | 0.161 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 134.6 | 176.8 | -66.6 | 0 | 0 | 0 | 0 | 109.6 | N118 G133 F134 | S82-N118 WeakPolarHBondContact CA-O 3.42Å; S82-N118 PolarHBondContact OG-ND2 2.95Å; S82-N118 VanDerWaalsContact OG-ND2 3.12Å; S82-G133 CarbonylContact O-C 3.48Å; S82-G133 WeakPolarHBondContact O-CA 3.39Å; S82-F134 PolarHBondContact N-O 2.93Å; S82-F134 PolarHBondContact O-N 2.88Å |
| 83 | T | 98.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 150.4 | -176.6 | -179.8 | 0 | 0 | 0 | 0 | 111.8 | V85 I90 I117 N118 G119 G120 Q121 A132 L163 I165 | T83-V85 VanDerWaalsContact C-N 3.26Å; T83-V85 HydrophobicContact CG2-CB 3.93Å; T83-V85 WeakPolarHBondContact OG1-CB 3.02Å; T83-V85 WeakPolarHBondContact OG1-CG2 3.24Å; T83-V85 PolarHBondContact OG1-N 2.99Å; T83-V85 VanDerWaalsContact OG1-N 3.08Å; T83-I90 HydrophobicContact CG2-CD1 3.61Å; T83-I117 HydrophobicContact CG2-CG2 4.34Å; T83-N118 PolarHBondContact N-O 2.79Å; T83-G119 CarbonylContact O-C 3.58Å; T83-G120 PolarHBondContact O-N 2.89Å; T83-Q121 VanDerWaalsContact O-CB 3.32Å; T83-Q121 WeakPolarHBondContact O-CB 3.29Å; T83-Q121 WeakPolarHBondContact O-CG 3.19Å; T83-Q121 PolarHBondContact O-N 2.85Å; T83-A132 WeakPolarHBondContact CA-O 3.23Å; T83-A132 PolarHBondContact OG1-O 3.45Å; T83-A132 VanDerWaalsContact OG1-O 3.1Å; T83-L163 HydrophobicContact CG2-CD1 4.5Å; T83-I165 VanDerWaalsContact OG1-CD1 3.28Å; T83-I165 WeakPolarHBondContact OG1-CD1 3.2Å |
| 84 | N | 98 | Very high | 93.3 | Very high | 29 Ų | 29 | 46.3 Ų | 46.3 | 16% | 0.155 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -82.1 | -2.4 | 169.7 | 60.9 | -0.5 | 0 | 0 | 0 | 113.2 | Q121 I123 D129 A130 P131 A132 | N84-Q121 VanDerWaalsContact CA-O 3.24Å; N84-Q121 WeakPolarHBondContact CA-O 3.18Å; N84-Q121 WeakPolarHBondContact CB-O 3.41Å; N84-I123 HydrophobicContact CB-CB 4.06Å; N84-I123 HydrophobicContact CB-CG1 4.43Å; N84-I123 PolarHBondContact ND2-O 2.89Å; N84-D129 PolarHBondContact ND2-O 2.92Å; N84-A130 PolarHBondContact ND2-O 3.2Å; N84-P131 VanDerWaalsContact OD1-CA 3.29Å; N84-P131 WeakPolarHBondContact OD1-CA 3.43Å; N84-A132 PolarHBondContact N-O 2.92Å; N84-A132 PolarHBondContact OD1-N 3.43Å; N84-A132 PolarHBondContact OD1-O 2.97Å; N84-A132 VanDerWaalsContact OD1-O 3.1Å |
| 85 | V | 98 | Very high | 95.1 | Very high | 11 Ų | 11 | 46.4 Ų | 46.4 | 7% | 0.067 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -59.3 | 128.5 | 168.6 | 173.4 | 0 | 0 | 0 | 0 | 108.8 | T83 S87 N89 I90 G119 G120 L163 I165 | T83-V85 VanDerWaalsContact C-N 3.26Å; T83-V85 HydrophobicContact CG2-CB 3.93Å; T83-V85 WeakPolarHBondContact OG1-CB 3.02Å; T83-V85 WeakPolarHBondContact OG1-CG2 3.24Å; T83-V85 PolarHBondContact OG1-N 2.99Å; T83-V85 VanDerWaalsContact OG1-N 3.08Å; V85-S87 PolarHBondContact O-N 3.17Å; V85-N89 HydrophobicContact CG1-CB 4Å; V85-I90 HydrophobicContact CG1-CG1 4.29Å; V85-G119 CarbonylContact O-C 3.47Å; V85-G119 WeakPolarHBondContact O-CA 3.14Å; V85-G120 PolarHBondContact O-N 3.27Å; V85-L163 HydrophobicContact CG2-CB 4.3Å; V85-L163 WeakPolarHBondContact CG2-O 3.45Å; V85-I165 HydrophobicContact CG2-CD1 4.09Å; V85-I165 HydrophobicContact CG2-CG1 3.81Å |
| 86 | P | 97.2 | Very high | 96.5 | Very high | 50 Ų | 50 | 47.1 Ų | 47.1 | 33% | 0.325 | 26% | 0.257 | S | S | . | . | trans | -54.9 | 138.5 | -176.9 | -25.3 | 32.9 | 0 | 0 | 0 | 112.4 | E88 N89 | P86-E88 HydrophobicContact CB-CG 3.97Å; P86-E88 WeakPolarHBondContact CB-OE1 3.32Å; P86-E88 VanDerWaalsContact CB-OE2 3.31Å; P86-E88 WeakPolarHBondContact CB-OE2 3.44Å; P86-E88 PolarHBondContact O-N 3.06Å; P86-N89 WeakPolarHBondContact O-CB 3.39Å; P86-N89 PolarHBondContact O-N 3.37Å | ||
| 87 | S | 96 | Very high | 97.1 | Very high | 43 Ų | 43 | 48.5 Ų | 48.5 | 30% | 0.301 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -59.7 | -32.1 | -175.2 | -58.7 | 0 | 0 | 0 | 0 | 112.9 | V85 N89 I90 G119 | V85-S87 PolarHBondContact O-N 3.17Å; S87-N89 PolarHBondContact O-N 3.25Å; S87-I90 PolarHBondContact O-N 2.67Å; S87-G119 WeakPolarHBondContact OG-CA 3.4Å; S87-G119 PolarHBondContact OG-O 3.48Å; S87-G119 VanDerWaalsContact OG-O 3.09Å |
| 88 | E | 96.3 | Very high | 97.3 | Very high | 156 Ų | 156 | 48.5 Ų | 48.5 | 73% | 0.729 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -61.9 | -23.1 | 174.5 | 59.5 | -91.7 | -145.4 | 0 | 0 | 113.6 | P86 I90 | P86-E88 HydrophobicContact CB-CG 3.97Å; P86-E88 WeakPolarHBondContact CB-OE1 3.32Å; P86-E88 VanDerWaalsContact CB-OE2 3.31Å; P86-E88 WeakPolarHBondContact CB-OE2 3.44Å; P86-E88 PolarHBondContact O-N 3.06Å; E88-I90 VanDerWaalsContact C-N 3.32Å |
| 89 | N | 96.4 | Very high | 97.4 | Very high | 109 Ų | 109 | 46.5 Ų | 46.5 | 58% | 0.583 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -87.7 | -1.4 | 175.7 | -66 | -13.2 | 0 | 0 | 0 | 112.5 | V85 P86 S87 | V85-N89 HydrophobicContact CG1-CB 4Å; P86-N89 WeakPolarHBondContact O-CB 3.39Å; P86-N89 PolarHBondContact O-N 3.37Å; S87-N89 PolarHBondContact O-N 3.25Å |
| 90 | I | 97.1 | Very high | 97.4 | Very high | 24 Ų | 24 | 52.9 Ų | 52.9 | 12% | 0.123 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -108.5 | 92.9 | -178.7 | -49 | -175.2 | 0 | 0 | 0 | 108.7 | T83 V85 S87 E88 F94 L95 I117 G119 L163 | T83-I90 HydrophobicContact CG2-CD1 3.61Å; V85-I90 HydrophobicContact CG1-CG1 4.29Å; S87-I90 PolarHBondContact O-N 2.67Å; E88-I90 VanDerWaalsContact C-N 3.32Å; I90-F94 HydrophobicContact CG2-CD1 4.16Å; I90-L95 HydrophobicContact CG2-CD1 3.73Å; I90-I117 HydrophobicContact CD1-CG2 3.75Å; I90-I117 HydrophobicContact CG2-CB 4.3Å; I90-I117 HydrophobicContact CG2-CG2 4.03Å; I90-G119 VanDerWaalsContact CD1-CA 3.49Å; I90-L163 HydrophobicContact CG1-CD2 4Å |
| 91 | S | 96.4 | Very high | 97.5 | Very high | 60 Ų | 60 | 53.4 Ų | 53.4 | 42% | 0.42 | 29% | 0.289 | S | S | . | . | trans | -77.4 | 155.4 | -177 | 73.1 | 0 | 0 | 0 | 0 | 112.9 | D93 F94 L95 | S91-D93 PolarHBondContact O-N 3.23Å; S91-F94 WeakPolarHBondContact O-CA 3.43Å; S91-F94 WeakPolarHBondContact O-CB 3.47Å; S91-F94 PolarHBondContact O-N 2.85Å; S91-F94 PolarHBondContact OG-N 3.46Å; S91-F94 VanDerWaalsContact OG-N 3.08Å; S91-L95 VanDerWaalsContact O-CD1 3.3Å; S91-L95 WeakPolarHBondContact O-CD1 3.24Å; S91-L95 PolarHBondContact O-N 3.32Å | ||
| 92 | V | 96.1 | Very high | 97.4 | Very high | 99 Ų | 99 | 53.4 Ų | 53.4 | 60% | 0.6 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -58.4 | -31.6 | 170.7 | 173.7 | 0 | 0 | 0 | 0 | 111.5 | F94 L95 K96 | V92-F94 VanDerWaalsContact C-N 3.34Å; V92-L95 WeakPolarHBondContact O-CB 3.38Å; V92-L95 PolarHBondContact O-N 2.95Å; V92-K96 WeakPolarHBondContact O-CG 3.37Å; V92-K96 PolarHBondContact O-N 3.08Å |
| 93 | D | 97.5 | Very high | 97.3 | Very high | 105 Ų | 105 | 52.9 Ų | 52.9 | 56% | 0.561 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -70.7 | -30.3 | 176.1 | -68.7 | -23.9 | 0 | 0 | 0 | 112.5 | S91 K96 S97 | S91-D93 PolarHBondContact O-N 3.23Å; D93-K96 PolarHBondContact O-N 2.63Å; D93-K96 IonicContact OD1-NZ 2.88Å; D93-K96 PolarHBondContact OD1-NZ 3.27Å; D93-S97 WeakPolarHBondContact O-CB 3.14Å; D93-S97 PolarHBondContact O-N 3.33Å; D93-S97 PolarHBondContact O-OG 3.12Å; D93-S97 VanDerWaalsContact O-OG 3.1Å |
| 94 | F | 98.1 | Very high | 97 | Very high | 17 Ų | 17 | 55.8 Ų | 55.8 | 8% | 0.075 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 168 | -174 | -105.5 | 0 | 0 | 0 | 111.4 | I90 S91 V92 S97 T98 I117 H158 L159 L163 | I90-F94 HydrophobicContact CG2-CD1 4.16Å; S91-F94 WeakPolarHBondContact O-CA 3.43Å; S91-F94 WeakPolarHBondContact O-CB 3.47Å; S91-F94 PolarHBondContact O-N 2.85Å; S91-F94 PolarHBondContact OG-N 3.46Å; S91-F94 VanDerWaalsContact OG-N 3.08Å; V92-F94 VanDerWaalsContact C-N 3.34Å; F94-S97 WeakPolarHBondContact CA-OG 3.48Å; F94-S97 PolarHBondContact O-N 3.33Å; F94-S97 PolarHBondContact O-OG 3.12Å; F94-T98 WeakPolarHBondContact O-CB 3.24Å; F94-T98 PolarHBondContact O-N 3.31Å; F94-T98 PolarHBondContact O-OG1 3.39Å; F94-I117 HydrophobicContact CD1-CD1 3.9Å; F94-I117 HydrophobicContact CE1-CD1 3.65Å; F94-H158 AromaticContact CD2-NE2 3.92Å; F94-H158 AromaticContact CE2-CD2 3.71Å; F94-H158 AromaticContact CE2-CE1 3.77Å; F94-H158 AromaticContact CE2-NE2 3.23Å; F94-H158 WeakPolarHBondContact CE2-NE2 3.34Å; F94-H158 AromaticContact CZ-CD2 3.65Å; F94-H158 AromaticContact CZ-NE2 3.51Å; F94-L159 HydrophobicContact CE1-CD2 4.36Å; F94-L159 HydrophobicContact CZ-CD2 4.16Å; F94-L163 HydrophobicContact CD1-CD2 3.91Å; F94-L163 HydrophobicContact CD1-CG 4.36Å; F94-L163 HydrophobicContact CE1-CD1 3.74Å; F94-L163 HydrophobicContact CE1-CD2 3.7Å; F94-L163 HydrophobicContact CE1-CG 3.65Å; F94-L163 HydrophobicContact CE2-CG 4.46Å; F94-L163 HydrophobicContact CG-CD2 4.45Å; F94-L163 HydrophobicContact CZ-CD1 4.11Å; F94-L163 HydrophobicContact CZ-CD2 4.1Å; F94-L163 HydrophobicContact CZ-CG 3.71Å |
| 95 | L | 97.9 | Very high | 96.9 | Very high | 51 Ų | 51 | 55.2 Ų | 55.2 | 27% | 0.267 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 173.7 | -84.3 | 69.5 | 0 | 0 | 0 | 111.8 | I90 S91 V92 T98 S99 V115 I117 | I90-L95 HydrophobicContact CG2-CD1 3.73Å; S91-L95 VanDerWaalsContact O-CD1 3.3Å; S91-L95 WeakPolarHBondContact O-CD1 3.24Å; S91-L95 PolarHBondContact O-N 3.32Å; V92-L95 WeakPolarHBondContact O-CB 3.38Å; V92-L95 PolarHBondContact O-N 2.95Å; L95-T98 WeakPolarHBondContact O-CB 3.28Å; L95-T98 PolarHBondContact O-N 3.23Å; L95-S99 PolarHBondContact O-N 3.46Å; L95-V115 HydrophobicContact CG-CG1 4.21Å; L95-I117 HydrophobicContact CD1-CD1 4.3Å |
| 96 | K | 97.7 | Very high | 96.6 | Very high | 108 Ų | 108 | 55.3 Ų | 55.3 | 47% | 0.47 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 176.4 | -69.8 | 173.6 | -169.6 | 154 | 0 | 112.4 | V92 D93 T98 S99 K100 | V92-K96 WeakPolarHBondContact O-CG 3.37Å; V92-K96 PolarHBondContact O-N 3.08Å; D93-K96 PolarHBondContact O-N 2.63Å; D93-K96 IonicContact OD1-NZ 2.88Å; D93-K96 PolarHBondContact OD1-NZ 3.27Å; K96-T98 VanDerWaalsContact C-N 3.31Å; K96-T98 PolarHBondContact O-N 3.3Å; K96-S99 WeakPolarHBondContact O-CB 3.28Å; K96-S99 PolarHBondContact O-N 3.38Å; K96-K100 WeakPolarHBondContact O-CG 3.47Å; K96-K100 PolarHBondContact O-N 2.84Å |
| 97 | S | 98.1 | Very high | 96.3 | Very high | 45 Ų | 45 | 55.9 Ų | 55.9 | 32% | 0.315 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.6 | -36.5 | 177.4 | 59.3 | 0 | 0 | 0 | 0 | 111.9 | D93 F94 K100 L101 H158 | D93-S97 WeakPolarHBondContact O-CB 3.14Å; D93-S97 PolarHBondContact O-N 3.33Å; D93-S97 PolarHBondContact O-OG 3.12Å; D93-S97 VanDerWaalsContact O-OG 3.1Å; F94-S97 WeakPolarHBondContact CA-OG 3.48Å; F94-S97 PolarHBondContact O-N 3.33Å; F94-S97 PolarHBondContact O-OG 3.12Å; S97-K100 PolarHBondContact O-N 2.9Å; S97-L101 WeakPolarHBondContact O-CB 3.41Å; S97-L101 PolarHBondContact O-N 3.49Å; S97-H158 PolarHBondContact OG-CE1 3.22Å |
| 98 | T | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 172.2 | -53.8 | 0 | 0 | 0 | 0 | 111.6 | F79 F94 L95 K96 L101 I102 V115 H158 | F79-T98 HydrophobicContact CD1-CG2 3.75Å; F79-T98 HydrophobicContact CE1-CG2 3.99Å; F94-T98 WeakPolarHBondContact O-CB 3.24Å; F94-T98 PolarHBondContact O-N 3.31Å; F94-T98 PolarHBondContact O-OG1 3.39Å; L95-T98 WeakPolarHBondContact O-CB 3.28Å; L95-T98 PolarHBondContact O-N 3.23Å; K96-T98 VanDerWaalsContact C-N 3.31Å; K96-T98 PolarHBondContact O-N 3.3Å; T98-L101 WeakPolarHBondContact O-CB 3.44Å; T98-L101 PolarHBondContact O-N 3.14Å; T98-I102 HydrophobicContact CG2-CD1 3.86Å; T98-I102 WeakPolarHBondContact O-CD1 3.49Å; T98-I102 WeakPolarHBondContact O-CG1 3.47Å; T98-I102 PolarHBondContact O-N 2.91Å; T98-V115 HydrophobicContact CG2-CG1 3.89Å; T98-V115 HydrophobicContact CG2-CG2 4.1Å; T98-H158 PolarHBondContact OG1-NE2 2.92Å |
| 99 | S | 97.8 | Very high | 95.6 | Very high | 15 Ų | 15 | 50 Ų | 50 | 11% | 0.105 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.9 | -51.2 | 175.7 | 170.7 | 0 | 0 | 0 | 0 | 111.8 | L95 K96 L101 I102 A103 E110 | L95-S99 PolarHBondContact O-N 3.46Å; K96-S99 WeakPolarHBondContact O-CB 3.28Å; K96-S99 PolarHBondContact O-N 3.38Å; S99-L101 VanDerWaalsContact C-N 3.33Å; S99-L101 PolarHBondContact O-N 3.48Å; S99-I102 PolarHBondContact O-N 3.02Å; S99-A103 WeakPolarHBondContact O-CB 3.46Å; S99-A103 PolarHBondContact O-N 2.85Å; S99-E110 WeakPolarHBondContact CB-OE1 3.49Å; S99-E110 WeakPolarHBondContact OG-CG 3.39Å; S99-E110 PolarHBondContact OG-OE1 2.8Å |
| 100 | K | 97.8 | Very high | 95.4 | Very high | 134 Ų | 134 | 48.6 Ų | 48.6 | 58% | 0.583 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -57.7 | -43.4 | 175.3 | -71.2 | 179.4 | -179.2 | -178.8 | 0 | 112.7 | K96 S97 A103 G104 E110 | K96-K100 WeakPolarHBondContact O-CG 3.47Å; K96-K100 PolarHBondContact O-N 2.84Å; S97-K100 PolarHBondContact O-N 2.9Å; K100-A103 PolarHBondContact O-N 2.79Å; K100-G104 PolarHBondContact O-N 2.87Å; K100-E110 VanDerWaalsContact CG-OE1 3.28Å; K100-E110 WeakPolarHBondContact CG-OE1 3.32Å; K100-E110 WeakPolarHBondContact CG-OE2 3.27Å; K100-E110 PolarHBondContact N-OE1 2.88Å |
| 101 | L | 98.2 | Very high | 95.1 | Very high | 43 Ų | 43 | 52.4 Ų | 52.4 | 23% | 0.225 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.2 | -49.2 | 177.9 | 177 | 65.9 | 0 | 0 | 0 | 111 | S97 T98 S99 G104 M105 K154 L155 H158 | S97-L101 WeakPolarHBondContact O-CB 3.41Å; S97-L101 PolarHBondContact O-N 3.49Å; T98-L101 WeakPolarHBondContact O-CB 3.44Å; T98-L101 PolarHBondContact O-N 3.14Å; S99-L101 VanDerWaalsContact C-N 3.33Å; S99-L101 PolarHBondContact O-N 3.48Å; L101-G104 PolarHBondContact O-N 3.26Å; L101-M105 HydrophobicContact CD1-CG 4.11Å; L101-M105 HydrophobicContact CD1-SD 3.86Å; L101-M105 HydrophobicContact CD2-SD 4.17Å; L101-M105 HydrophobicContact CG-CG 4.3Å; L101-M105 HydrophobicContact CG-SD 3.63Å; L101-M105 VanDerWaalsContact O-CB 3.27Å; L101-M105 WeakPolarHBondContact O-CB 3.15Å; L101-M105 WeakPolarHBondContact O-CG 3.28Å; L101-M105 PolarHBondContact O-N 3.45Å; L101-K154 HydrophobicContact CD1-CB 4.4Å; L101-L155 HydrophobicContact CD2-CD2 4.22Å; L101-H158 HydrophobicContact CD2-CB 3.39Å; L101-H158 VanDerWaalsContact CD2-CG 3.47Å |
| 102 | I | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 179.6 | -69.4 | 158.8 | 0 | 0 | 0 | 111.1 | P77 F79 T98 S99 G104 M105 L106 V113 V115 L137 L155 | P77-I102 HydrophobicContact CB-CG2 3.94Å; P77-I102 HydrophobicContact CG-CG2 3.95Å; F79-I102 HydrophobicContact CB-CD1 3.34Å; F79-I102 HydrophobicContact CD1-CD1 3.94Å; F79-I102 HydrophobicContact CG-CD1 3.79Å; T98-I102 HydrophobicContact CG2-CD1 3.86Å; T98-I102 WeakPolarHBondContact O-CD1 3.49Å; T98-I102 WeakPolarHBondContact O-CG1 3.47Å; T98-I102 PolarHBondContact O-N 2.91Å; S99-I102 PolarHBondContact O-N 3.02Å; I102-G104 PolarHBondContact O-N 3.38Å; I102-M105 PolarHBondContact O-N 3.28Å; I102-L106 HydrophobicContact CG2-CD1 3.8Å; I102-L106 HydrophobicContact CG2-CG 4.46Å; I102-L106 WeakPolarHBondContact O-CB 3.35Å; I102-L106 PolarHBondContact O-N 3.3Å; I102-V113 HydrophobicContact CB-CG1 4.01Å; I102-V113 HydrophobicContact CD1-CG1 4.3Å; I102-V113 HydrophobicContact CG2-CG1 3.84Å; I102-V113 HydrophobicContact CG2-CG2 4.36Å; I102-V115 HydrophobicContact CD1-CG2 3.8Å; I102-L137 HydrophobicContact CG2-CD1 4.08Å; I102-L155 HydrophobicContact CG1-CD2 4.28Å |
| 103 | A | 94.2 | Very high | 94.6 | Very high | 11 Ų | 11 | 48.5 Ų | 48.5 | 9% | 0.091 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -54.5 | -52.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | S99 K100 L106 G107 K108 E110 V113 | S99-A103 WeakPolarHBondContact O-CB 3.46Å; S99-A103 PolarHBondContact O-N 2.85Å; K100-A103 PolarHBondContact O-N 2.79Å; A103-L106 PolarHBondContact O-N 3.34Å; A103-G107 WeakPolarHBondContact O-CA 3.48Å; A103-G107 PolarHBondContact O-N 2.8Å; A103-K108 WeakPolarHBondContact CA-O 3.35Å; A103-K108 WeakPolarHBondContact CB-O 3.31Å; A103-K108 PolarHBondContact O-N 2.94Å; A103-K108 VanDerWaalsContact O-N 3.1Å; A103-E110 HydrophobicContact CB-CB 3.87Å; A103-E110 HydrophobicContact CB-CG 4.25Å; A103-V113 HydrophobicContact CB-CG2 3.94Å |
| 104 | G | 93.9 | Very high | 94.4 | Very high | 62 Ų | 62 | 45.9 Ų | 45.9 | 64% | 0.639 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -66.6 | -36 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | K100 L101 I102 | K100-G104 PolarHBondContact O-N 2.87Å; L101-G104 PolarHBondContact O-N 3.26Å; I102-G104 PolarHBondContact O-N 3.38Å |
| 105 | M | 94.2 | Very high | 94.4 | Very high | 17 Ų | 17 | 46.5 Ų | 46.5 | 8% | 0.084 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.1 | -44.1 | 176.4 | -81.6 | 176.1 | 42.4 | 0 | 0 | 112.6 | L101 I102 H151 K154 L155 | L101-M105 HydrophobicContact CD1-CG 4.11Å; L101-M105 HydrophobicContact CD1-SD 3.86Å; L101-M105 HydrophobicContact CD2-SD 4.17Å; L101-M105 HydrophobicContact CG-CG 4.3Å; L101-M105 HydrophobicContact CG-SD 3.63Å; L101-M105 VanDerWaalsContact O-CB 3.27Å; L101-M105 WeakPolarHBondContact O-CB 3.15Å; L101-M105 WeakPolarHBondContact O-CG 3.28Å; L101-M105 PolarHBondContact O-N 3.45Å; I102-M105 PolarHBondContact O-N 3.28Å; M105-H151 VanDerWaalsContact CE-CA 3.41Å; M105-H151 HydrophobicContact CE-CB 3.4Å; M105-H151 VanDerWaalsContact CE-CB 3.4Å; M105-H151 WeakPolarHBondContact CE-O 3.27Å; M105-H151 PolarHBondContact O-CE1 3.32Å; M105-H151 VanDerWaalsContact O-CE1 3.23Å; M105-K154 HydrophobicContact CE-CB 4.43Å; M105-K154 HydrophobicContact CG-CB 4.25Å; M105-K154 HydrophobicContact CG-CD 3.57Å; M105-K154 HydrophobicContact SD-CB 3.54Å; M105-K154 VanDerWaalsContact SD-CB 3.54Å; M105-K154 HydrophobicContact SD-CD 4.02Å; M105-K154 HydrophobicContact SD-CG 4.45Å; M105-L155 HydrophobicContact CE-CD1 3.78Å; M105-L155 HydrophobicContact CE-CG 3.72Å; M105-L155 HydrophobicContact SD-CD2 4.5Å; M105-L155 HydrophobicContact SD-CG 4.01Å |
| 106 | L | 92.9 | Very high | 94.3 | Very high | 13 Ų | 13 | 48.5 Ų | 48.5 | 7% | 0.068 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -91.6 | -10 | -175.1 | -64 | 176.5 | 0 | 0 | 0 | 113.3 | P77 I102 A103 K108 L137 V143 | P77-L106 HydrophobicContact CB-CD1 3.48Å; P77-L106 VanDerWaalsContact CB-CD1 3.48Å; P77-L106 HydrophobicContact CG-CD1 3.98Å; I102-L106 HydrophobicContact CG2-CD1 3.8Å; I102-L106 HydrophobicContact CG2-CG 4.46Å; I102-L106 WeakPolarHBondContact O-CB 3.35Å; I102-L106 PolarHBondContact O-N 3.3Å; A103-L106 PolarHBondContact O-N 3.34Å; L106-K108 VanDerWaalsContact C-N 3.26Å; L106-K108 HydrophobicContact CB-CB 4.42Å; L106-K108 HydrophobicContact CB-CD 4.2Å; L106-K108 HydrophobicContact CB-CG 4Å; L106-K108 PolarHBondContact O-N 3.24Å; L106-L137 HydrophobicContact CD1-CD1 4.44Å; L106-L137 HydrophobicContact CD1-CD2 4.29Å; L106-L137 HydrophobicContact CD2-CD2 4.48Å; L106-V143 HydrophobicContact CD2-CG1 4.18Å |
| 107 | G | 91.2 | Very high | 94.2 | Very high | 61 Ų | 61 | 44.3 Ų | 44.3 | 63% | 0.629 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | 32.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A103 | A103-G107 WeakPolarHBondContact O-CA 3.48Å; A103-G107 PolarHBondContact O-N 2.8Å |
| 108 | K | 89.4 | Confident | 94.1 | Very high | 10 Ų | 10 | 43.6 Ų | 43.6 | 4% | 0.043 | 27% | 0.268 | C | S | . | . | trans | -111.2 | 147.2 | -178.5 | -65 | -173.5 | -178.4 | -168.1 | 0 | 110 | P74 P77 A103 L106 E110 S139 L140 G141 | P74-K108 WeakPolarHBondContact O-CE 3.45Å; P74-K108 PolarHBondContact O-NZ 3.08Å; P77-K108 HydrophobicContact CG-CD 4.39Å; A103-K108 WeakPolarHBondContact CA-O 3.35Å; A103-K108 WeakPolarHBondContact CB-O 3.31Å; A103-K108 PolarHBondContact O-N 2.94Å; A103-K108 VanDerWaalsContact O-N 3.1Å; L106-K108 VanDerWaalsContact C-N 3.26Å; L106-K108 HydrophobicContact CB-CB 4.42Å; L106-K108 HydrophobicContact CB-CD 4.2Å; L106-K108 HydrophobicContact CB-CG 4Å; L106-K108 PolarHBondContact O-N 3.24Å; K108-E110 PolarHBondContact O-N 3.38Å; K108-S139 PolarHBondContact NZ-OG 3.42Å; K108-L140 PolarHBondContact NZ-O 3.31Å; K108-G141 PolarHBondContact NZ-O 3.12Å; K108-G141 VanDerWaalsContact NZ-O 3.09Å | ||
| 109 | P | 88.6 | Confident | 94.1 | Very high | 67 Ų | 67 | 44 Ų | 44 | 44% | 0.435 | 27% | 0.271 | S | S | . | . | trans | -59.9 | 134.1 | 177.4 | -18.9 | 30.1 | 0 | 0 | 0 | 110.9 | S111 Y112 | P109-S111 PolarHBondContact O-N 2.81Å; P109-S111 VanDerWaalsContact O-N 3.13Å; P109-Y112 HydrophobicContact CB-CD2 4.18Å; P109-Y112 HydrophobicContact CG-CD2 4.38Å; P109-Y112 PolarHBondContact O-N 2.89Å; P109-Y112 VanDerWaalsContact O-N 3.11Å | ||
| 110 | E | 92 | Very high | 94 | Very high | 79 Ų | 79 | 45.5 Ų | 45.5 | 37% | 0.369 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -57.6 | -29.3 | -179.8 | -169.5 | 178.3 | -176.5 | 0 | 0 | 112.2 | S99 K100 A103 K108 Y112 V113 | S99-E110 WeakPolarHBondContact CB-OE1 3.49Å; S99-E110 WeakPolarHBondContact OG-CG 3.39Å; S99-E110 PolarHBondContact OG-OE1 2.8Å; K100-E110 VanDerWaalsContact CG-OE1 3.28Å; K100-E110 WeakPolarHBondContact CG-OE1 3.32Å; K100-E110 WeakPolarHBondContact CG-OE2 3.27Å; K100-E110 PolarHBondContact N-OE1 2.88Å; A103-E110 HydrophobicContact CB-CB 3.87Å; A103-E110 HydrophobicContact CB-CG 4.25Å; K108-E110 PolarHBondContact O-N 3.38Å; E110-Y112 PolarHBondContact O-N 2.85Å; E110-V113 WeakPolarHBondContact O-CB 3.02Å; E110-V113 PolarHBondContact O-N 2.96Å |
| 111 | S | 89.5 | Confident | 94 | Very high | 104 Ų | 104 | 43.1 Ų | 43.1 | 73% | 0.727 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -58.1 | -12.4 | 177.6 | 65.2 | 0 | 0 | 0 | 0 | 115 | P109 | P109-S111 PolarHBondContact O-N 2.81Å; P109-S111 VanDerWaalsContact O-N 3.13Å |
| 112 | Y | 90.6 | Very high | 93.8 | Very high | 57 Ų | 57 | 51.4 Ų | 51.4 | 22% | 0.224 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -109.3 | -3.4 | 176.9 | -75.2 | -83.8 | 0 | 0 | 0 | 113.8 | K75 P77 P109 E110 Y184 | K75-Y112 HydrophobicContact CB-CD1 3.56Å; K75-Y112 HydrophobicContact CB-CD2 3.53Å; K75-Y112 HydrophobicContact CB-CE1 3.7Å; K75-Y112 HydrophobicContact CB-CE2 3.73Å; K75-Y112 HydrophobicContact CB-CG 3.42Å; K75-Y112 VanDerWaalsContact CB-CG 3.42Å; K75-Y112 HydrophobicContact CD-CD2 3.78Å; K75-Y112 HydrophobicContact CD-CE1 4.05Å; K75-Y112 HydrophobicContact CD-CE2 3.15Å; K75-Y112 HydrophobicContact CD-CG 4.44Å; K75-Y112 WeakPolarHBondContact CD-OH 3.34Å; K75-Y112 HydrophobicContact CG-CD2 4.22Å; K75-Y112 HydrophobicContact CG-CE2 4.06Å; K75-Y112 PolarHBondContact NZ-OH 3.49Å; K75-Y112 WeakPolarHBondContact O-CB 3.12Å; K75-Y112 WeakPolarHBondContact O-CD1 3.36Å; P77-Y112 WeakPolarHBondContact CD-O 3.38Å; P109-Y112 HydrophobicContact CB-CD2 4.18Å; P109-Y112 HydrophobicContact CG-CD2 4.38Å; P109-Y112 PolarHBondContact O-N 2.89Å; P109-Y112 VanDerWaalsContact O-N 3.11Å; E110-Y112 PolarHBondContact O-N 2.85Å; Y112-Y184 HydrophobicContact CE1-CE1 4.1Å; Y112-Y184 AromaticContact CE1-CZ 3.96Å |
| 113 | V | 92.1 | Very high | 93.8 | Very high | 20 Ų | 20 | 52.2 Ų | 52.2 | 12% | 0.121 | 32% | 0.319 | C | S | . | . | trans | -83 | 127.4 | -178.8 | -175.8 | 0 | 0 | 0 | 0 | 109.2 | P77 I102 A103 E110 V115 | P77-V113 HydrophobicContact CG-CB 4.18Å; P77-V113 HydrophobicContact CG-CG1 4.27Å; P77-V113 HydrophobicContact CG-CG2 3.67Å; P77-V113 WeakPolarHBondContact O-CA 3.25Å; I102-V113 HydrophobicContact CB-CG1 4.01Å; I102-V113 HydrophobicContact CD1-CG1 4.3Å; I102-V113 HydrophobicContact CG2-CG1 3.84Å; I102-V113 HydrophobicContact CG2-CG2 4.36Å; A103-V113 HydrophobicContact CB-CG2 3.94Å; E110-V113 WeakPolarHBondContact O-CB 3.02Å; E110-V113 PolarHBondContact O-N 2.96Å; V113-V115 HydrophobicContact CG1-CG2 4.08Å | ||
| 114 | A | 93.4 | Very high | 93.9 | Very high | 49 Ų | 49 | 56.7 Ų | 56.7 | 41% | 0.405 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 134 | 167 | 0 | 0 | 0 | 0 | 0 | 110 | P77 I78 F79 | P77-A114 PolarHBondContact O-N 2.91Å; I78-A114 WeakPolarHBondContact CA-O 3.46Å; I78-A114 HydrophobicContact CG1-CB 4.03Å; F79-A114 PolarHBondContact N-O 3.25Å |
| 115 | V | 97 | Very high | 94.1 | Very high | 30 Ų | 30 | 55.9 Ų | 55.9 | 18% | 0.182 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 127.2 | 176.7 | 176.6 | 0 | 0 | 0 | 0 | 108.9 | F79 L95 T98 I102 V113 I117 | F79-V115 HydrophobicContact CD1-CG1 4.32Å; F79-V115 WeakPolarHBondContact O-CA 3.33Å; L95-V115 HydrophobicContact CG-CG1 4.21Å; T98-V115 HydrophobicContact CG2-CG1 3.89Å; T98-V115 HydrophobicContact CG2-CG2 4.1Å; I102-V115 HydrophobicContact CD1-CG2 3.8Å; V113-V115 HydrophobicContact CG1-CG2 4.08Å; V115-I117 HydrophobicContact CG1-CD1 4.17Å; V115-I117 HydrophobicContact CG1-CG1 3.95Å |
| 116 | H | 96.2 | Very high | 94.2 | Very high | 94 Ų | 94 | 58.7 Ų | 58.7 | 44% | 0.435 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 115.8 | 175.2 | -179.6 | -145.7 | 0 | 0 | 0 | 109.8 | F79 T80 F81 N118 | F79-H116 PolarHBondContact O-N 2.91Å; T80-H116 CarbonylContact C-O 3.45Å; T80-H116 VanDerWaalsContact CA-O 3.24Å; T80-H116 WeakPolarHBondContact CA-O 3.31Å; T80-H116 HydrophobicContact CG2-CB 4.21Å; F81-H116 PolarHBondContact N-O 3.23Å; H116-N118 PolarHBondContact CE1-OD1 3.09Å; H116-N118 PolarHBondContact NE2-OD1 2.83Å; H116-N118 VanDerWaalsContact NE2-OD1 3.12Å |
| 117 | I | 97.2 | Very high | 94.3 | Very high | 19 Ų | 19 | 61.6 Ų | 61.6 | 10% | 0.097 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 116.5 | 180 | -56.5 | -177.4 | 0 | 0 | 0 | 109.3 | F81 T83 I90 F94 L95 V115 | F81-I117 HydrophobicContact CB-CG1 4.38Å; F81-I117 HydrophobicContact CD1-CG2 4.47Å; F81-I117 CarbonylContact O-C 3.43Å; F81-I117 VanDerWaalsContact O-CA 3.24Å; F81-I117 WeakPolarHBondContact O-CA 3.41Å; T83-I117 HydrophobicContact CG2-CG2 4.34Å; I90-I117 HydrophobicContact CD1-CG2 3.75Å; I90-I117 HydrophobicContact CG2-CB 4.3Å; I90-I117 HydrophobicContact CG2-CG2 4.03Å; F94-I117 HydrophobicContact CD1-CD1 3.9Å; F94-I117 HydrophobicContact CE1-CD1 3.65Å; L95-I117 HydrophobicContact CD1-CD1 4.3Å; V115-I117 HydrophobicContact CG1-CD1 4.17Å; V115-I117 HydrophobicContact CG1-CG1 3.95Å |
| 118 | N | 95.9 | Very high | 94.6 | Very high | 31 Ų | 31 | 61.8 Ų | 61.8 | 17% | 0.166 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 100.1 | 175.8 | -51.3 | -72.5 | 0 | 0 | 0 | 109.2 | F81 S82 T83 H116 Q121 | F81-N118 PolarHBondContact O-N 3.19Å; S82-N118 WeakPolarHBondContact CA-O 3.42Å; S82-N118 PolarHBondContact OG-ND2 2.95Å; S82-N118 VanDerWaalsContact OG-ND2 3.12Å; T83-N118 PolarHBondContact N-O 2.79Å; H116-N118 PolarHBondContact CE1-OD1 3.09Å; H116-N118 PolarHBondContact NE2-OD1 2.83Å; H116-N118 VanDerWaalsContact NE2-OD1 3.12Å; N118-Q121 HydrophobicContact CB-CG 4Å; N118-Q121 VanDerWaalsContact O-CG 3.31Å; N118-Q121 WeakPolarHBondContact O-CG 3.32Å |
| 119 | G | 96.9 | Very high | 95 | Very high | 7 Ų | 7 | 67.5 Ų | 67.5 | 7% | 0.072 | 41% | 0.411 | C | S | . | . | trans | -81.2 | 169.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | T83 V85 S87 I90 Q121 | T83-G119 CarbonylContact O-C 3.58Å; V85-G119 CarbonylContact O-C 3.47Å; V85-G119 WeakPolarHBondContact O-CA 3.14Å; S87-G119 WeakPolarHBondContact OG-CA 3.4Å; S87-G119 PolarHBondContact OG-O 3.48Å; S87-G119 VanDerWaalsContact OG-O 3.09Å; I90-G119 VanDerWaalsContact CD1-CA 3.49Å; G119-Q121 PolarHBondContact O-N 3.45Å; G119-Q121 PolarHBondContact O-NE2 3.12Å | ||
| 120 | G | 96.7 | Very high | 95.4 | Very high | 47 Ų | 47 | 66.2 Ų | 66.2 | 49% | 0.485 | 41% | 0.406 | S | S | . | . | S | Bend | trans | 65.2 | 22.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | T83 V85 | T83-G120 PolarHBondContact O-N 2.89Å; V85-G120 PolarHBondContact O-N 3.27Å |
| 121 | Q | 96.4 | Very high | 95.7 | Very high | 85 Ų | 85 | 65.2 Ų | 65.2 | 40% | 0.397 | 41% | 0.407 | S | S | . | . | trans | -76.8 | 150 | -177.9 | -55.9 | -59.1 | -62.3 | 0 | 0 | 111.2 | T83 N84 N118 G119 I123 | T83-Q121 VanDerWaalsContact O-CB 3.32Å; T83-Q121 WeakPolarHBondContact O-CB 3.29Å; T83-Q121 WeakPolarHBondContact O-CG 3.19Å; T83-Q121 PolarHBondContact O-N 2.85Å; N84-Q121 VanDerWaalsContact CA-O 3.24Å; N84-Q121 WeakPolarHBondContact CA-O 3.18Å; N84-Q121 WeakPolarHBondContact CB-O 3.41Å; N118-Q121 HydrophobicContact CB-CG 4Å; N118-Q121 VanDerWaalsContact O-CG 3.31Å; N118-Q121 WeakPolarHBondContact O-CG 3.32Å; G119-Q121 PolarHBondContact O-N 3.45Å; G119-Q121 PolarHBondContact O-NE2 3.12Å; Q121-I123 HydrophobicContact CB-CD1 3.96Å; Q121-I123 HydrophobicContact CB-CG1 3.87Å; Q121-I123 PolarHBondContact O-N 3.34Å | ||
| 122 | K | 94.8 | Very high | 96.1 | Very high | 216 Ų | 216 | 60.3 Ų | 60.3 | 94% | 0.939 | 37% | 0.372 | S | S | * | . | trans | -79.9 | 97.9 | 171.6 | -66 | -177.6 | -178.7 | 178.4 | 0 | 109.2 | ||||
| 123 | I | 96.7 | Very high | 96.5 | Very high | 17 Ų | 17 | 57.6 Ų | 57.6 | 9% | 0.087 | 36% | 0.361 | C | S | . | . | trans | -124.8 | 134.3 | -177.3 | -58.2 | -179.1 | 0 | 0 | 0 | 110 | N84 Q121 A132 F134 | N84-I123 HydrophobicContact CB-CB 4.06Å; N84-I123 HydrophobicContact CB-CG1 4.43Å; N84-I123 PolarHBondContact ND2-O 2.89Å; Q121-I123 HydrophobicContact CB-CD1 3.96Å; Q121-I123 HydrophobicContact CB-CG1 3.87Å; Q121-I123 PolarHBondContact O-N 3.34Å; I123-A132 HydrophobicContact CG2-CB 4.09Å; I123-F134 HydrophobicContact CD1-CD1 4.16Å; I123-F134 HydrophobicContact CD1-CE1 3.77Å; I123-F134 HydrophobicContact CG1-CE1 4.12Å; I123-F134 HydrophobicContact CG2-CE1 4.42Å | ||
| 124 | T | 97.1 | Very high | 96.7 | Very high | 105 Ų | 105 | 61.8 Ų | 61.8 | 64% | 0.644 | 38% | 0.378 | S | S | * | . | trans | -113.8 | 145 | 159.5 | 61 | 0 | 0 | 0 | 0 | 109.4 | T128 | T124-T128 CarbonylContact C-O 3.55Å; T124-T128 VanDerWaalsContact CA-O 3.27Å; T124-T128 WeakPolarHBondContact CA-O 3.49Å | ||
| 125 | F | 97.3 | Very high | 96.9 | Very high | 45 Ų | 45 | 60 Ų | 60 | 20% | 0.197 | 36% | 0.364 | C | S | . | . | B | Isolated β-bridge | trans | -138.1 | 124.7 | 174.6 | -171.3 | -68.1 | 0 | 0 | 0 | 108.5 | G127 T128 A132 N168 R169 Y171 | F125-G127 PolarHBondContact O-N 2.56Å; F125-T128 PolarHBondContact N-O 2.94Å; F125-T128 PolarHBondContact O-N 2.94Å; F125-T128 PolarHBondContact O-OG1 2.98Å; F125-A132 HydrophobicContact CB-CB 3.62Å; F125-A132 HydrophobicContact CG-CB 4.33Å; F125-N168 WeakPolarHBondContact CE1-O 3.5Å; F125-N168 WeakPolarHBondContact CZ-O 3.42Å; F125-R169 HydrophobicContact CD1-CB 4.3Å; F125-R169 HydrophobicContact CD1-CG 4.19Å; F125-R169 HydrophobicContact CG-CB 4.37Å; F125-R169 PolarHBondContact O-NH1 2.92Å; F125-R169 PolarHBondContact O-NH2 2.88Å; F125-Y171 AromaticContact CE2-CD2 3.9Å; F125-Y171 HydrophobicContact CE2-CD2 3.9Å; F125-Y171 AromaticContact CE2-CE2 3.68Å; F125-Y171 HydrophobicContact CE2-CE2 3.68Å; F125-Y171 HydrophobicContact CE2-CG 4.48Å; F125-Y171 HydrophobicContact CZ-CE1 4.45Å; F125-Y171 AromaticContact CZ-CE2 3.94Å; F125-Y171 HydrophobicContact CZ-CE2 3.94Å; F125-Y171 AromaticContact CZ-CZ 3.89Å |
| 126 | G | 95.8 | Very high | 96.8 | Very high | 77 Ų | 77 | 61.5 Ų | 61.5 | 79% | 0.794 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 31.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | T128 | G126-T128 VanDerWaalsContact C-N 3.34Å; G126-T128 PolarHBondContact O-N 3.02Å |
| 127 | G | 95.8 | Very high | 96.8 | Very high | 74 Ų | 74 | 57 Ų | 57 | 76% | 0.763 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.9 | 0.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | F125 | F125-G127 PolarHBondContact O-N 2.56Š|
| 128 | T | 97.6 | Very high | 96.7 | Very high | 65 Ų | 65 | 57.4 Ų | 57.4 | 40% | 0.399 | 35% | 0.351 | S | S | . | . | B | Isolated β-bridge | trans | -120.4 | 154.4 | 178.4 | 70.8 | 0 | 0 | 0 | 0 | 112 | T124 F125 G126 R169 | T124-T128 CarbonylContact C-O 3.55Å; T124-T128 VanDerWaalsContact CA-O 3.27Å; T124-T128 WeakPolarHBondContact CA-O 3.49Å; F125-T128 PolarHBondContact N-O 2.94Å; F125-T128 PolarHBondContact O-N 2.94Å; F125-T128 PolarHBondContact O-OG1 2.98Å; G126-T128 VanDerWaalsContact C-N 3.34Å; G126-T128 PolarHBondContact O-N 3.02Å; T128-R169 PolarHBondContact O-NH2 3.42Å; T128-R169 VanDerWaalsContact O-NH2 3.07Å; T128-R169 PolarHBondContact OG1-NH1 3.03Å; T128-R169 VanDerWaalsContact OG1-NH1 3.1Å; T128-R169 PolarHBondContact OG1-NH2 3.27Å; T128-R169 VanDerWaalsContact OG1-NH2 3.09Å |
| 129 | D | 96.8 | Very high | 96.6 | Very high | 129 Ų | 129 | 56 Ų | 56 | 69% | 0.69 | 34% | 0.343 | S | S | * | . | trans | -94.5 | 10.1 | 177.5 | 63.3 | -10.7 | 0 | 0 | 0 | 113.5 | N84 | N84-D129 PolarHBondContact ND2-O 2.92Š| ||
| 130 | A | 98 | Very high | 96.2 | Very high | 40 Ų | 40 | 55.8 Ų | 55.8 | 33% | 0.331 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -56.9 | 159.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | N84 A132 R169 | N84-A130 PolarHBondContact ND2-O 3.2Å; A130-A132 PolarHBondContact O-N 2.79Å; A130-R169 PolarHBondContact O-NH2 3.1Å |
| 131 | P | 98.3 | Very high | 95.8 | Very high | 59 Ų | 59 | 54.4 Ų | 54.4 | 38% | 0.383 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -45.1 | 123.3 | -176.4 | -32.3 | 36.7 | 0 | 0 | 0 | 113.2 | N84 I165 R169 | N84-P131 VanDerWaalsContact OD1-CA 3.29Å; N84-P131 WeakPolarHBondContact OD1-CA 3.43Å; P131-I165 HydrophobicContact CB-CG1 4.38Å; P131-R169 WeakPolarHBondContact O-CD 3.28Å; P131-R169 PolarHBondContact O-NE 3.44Å |
| 132 | A | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 31% | 0.314 | C | S | . | . | trans | -156.3 | 158.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | T83 N84 I123 F125 A130 R169 | T83-A132 WeakPolarHBondContact CA-O 3.23Å; T83-A132 PolarHBondContact OG1-O 3.45Å; T83-A132 VanDerWaalsContact OG1-O 3.1Å; N84-A132 PolarHBondContact N-O 2.92Å; N84-A132 PolarHBondContact OD1-N 3.43Å; N84-A132 PolarHBondContact OD1-O 2.97Å; N84-A132 VanDerWaalsContact OD1-O 3.1Å; I123-A132 HydrophobicContact CG2-CB 4.09Å; F125-A132 HydrophobicContact CB-CB 3.62Å; F125-A132 HydrophobicContact CG-CB 4.33Å; A130-A132 PolarHBondContact O-N 2.79Å; A132-R169 WeakPolarHBondContact CA-O 3.42Å; A132-R169 HydrophobicContact CB-CB 4.14Å | ||
| 133 | G | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 168.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | S82 R169 M170 Y171 | S82-G133 CarbonylContact O-C 3.48Å; S82-G133 WeakPolarHBondContact O-CA 3.39Å; G133-R169 PolarHBondContact N-O 3.46Å; G133-R169 VanDerWaalsContact N-O 3.09Å; G133-M170 VanDerWaalsContact O-CA 3.25Å; G133-M170 WeakPolarHBondContact O-CA 3.48Å; G133-Y171 PolarHBondContact O-N 3.38Å |
| 134 | F | 97.4 | Very high | 94.9 | Very high | 108 Ų | 108 | 40.6 Ų | 40.6 | 47% | 0.474 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 153.4 | 173 | 57.9 | -90.3 | 0 | 0 | 0 | 110 | S82 I123 Y171 | S82-F134 PolarHBondContact N-O 2.93Å; S82-F134 PolarHBondContact O-N 2.88Å; I123-F134 HydrophobicContact CD1-CD1 4.16Å; I123-F134 HydrophobicContact CD1-CE1 3.77Å; I123-F134 HydrophobicContact CG1-CE1 4.12Å; I123-F134 HydrophobicContact CG2-CE1 4.42Å; F134-Y171 CarbonylContact C-O 3.5Å; F134-Y171 WeakPolarHBondContact CA-O 3.43Å |
| 135 | G | 96.4 | Very high | 94.3 | Very high | 11 Ų | 11 | 38.6 Ų | 38.6 | 11% | 0.113 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.4 | -168.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | T80 Y171 I172 N173 | T80-G135 CarbonylContact O-C 3.55Å; T80-G135 WeakPolarHBondContact O-CA 3.36Å; G135-Y171 PolarHBondContact N-O 3.42Å; G135-I172 WeakPolarHBondContact O-CA 3.47Å; G135-N173 PolarHBondContact O-N 2.81Å |
| 136 | Q | 95.8 | Very high | 93.8 | Very high | 62 Ų | 62 | 44 Ų | 44 | 29% | 0.29 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 142.9 | 178.4 | 58 | -172.4 | -3.9 | 0 | 0 | 111.2 | F79 T80 L138 N173 | F79-Q136 WeakPolarHBondContact CA-O 3.41Å; F79-Q136 WeakPolarHBondContact CD2-O 3.44Å; T80-Q136 PolarHBondContact N-O 3.44Å; T80-Q136 PolarHBondContact O-N 2.78Å; T80-Q136 WeakPolarHBondContact OG1-CG 3.24Å; T80-Q136 PolarHBondContact OG1-NE2 2.83Å; Q136-L138 HydrophobicContact CG-CD1 4.21Å; Q136-L138 HydrophobicContact CG-CG 4.38Å; Q136-N173 CarbonylContact C-O 3.45Å; Q136-N173 WeakPolarHBondContact CA-O 3.48Å; Q136-N173 HydrophobicContact CB-CB 4.03Å; Q136-N173 WeakPolarHBondContact CB-O 3.44Å |
| 137 | L | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 101.5 | 165.5 | 179.3 | 62 | 0 | 0 | 0 | 107.9 | P77 F79 I102 L106 V143 L155 I172 N173 F174 V175 | P77-L137 HydrophobicContact CB-CD1 4.22Å; F79-L137 HydrophobicContact CB-CD1 4.03Å; F79-L137 HydrophobicContact CD2-CB 4.17Å; F79-L137 HydrophobicContact CD2-CD1 4.46Å; I102-L137 HydrophobicContact CG2-CD1 4.08Å; L106-L137 HydrophobicContact CD1-CD1 4.44Å; L106-L137 HydrophobicContact CD1-CD2 4.29Å; L106-L137 HydrophobicContact CD2-CD2 4.48Å; L137-V143 HydrophobicContact CD2-CG1 4.28Å; L137-V143 HydrophobicContact CG-CG1 4.5Å; L137-L155 HydrophobicContact CD2-CD1 4.25Å; L137-I172 HydrophobicContact CB-CG2 4.5Å; L137-N173 PolarHBondContact N-O 3.03Å; L137-F174 HydrophobicContact CB-CD1 3.99Å; L137-F174 HydrophobicContact CB-CE1 4.21Å; L137-F174 HydrophobicContact CD2-CD1 3.89Å; L137-F174 HydrophobicContact CD2-CE1 3.78Å; L137-F174 HydrophobicContact CG-CD1 4.39Å; L137-V175 PolarHBondContact O-N 3.47Å |
| 138 | L | 94.3 | Very high | 93.6 | Very high | 28 Ų | 28 | 44.1 Ų | 44.1 | 15% | 0.147 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 131.9 | 172.2 | -64.1 | 142.7 | 0 | 0 | 0 | 107.8 | P77 I78 Q136 V175 M177 | P77-L138 CarbonylContact C-O 3.57Å; P77-L138 WeakPolarHBondContact CA-O 3.5Å; I78-L138 HydrophobicContact CB-CB 4.32Å; I78-L138 HydrophobicContact CB-CD1 4.15Å; I78-L138 HydrophobicContact CG2-CD1 4.18Å; I78-L138 PolarHBondContact N-O 2.91Å; I78-L138 PolarHBondContact O-N 2.86Å; Q136-L138 HydrophobicContact CG-CD1 4.21Å; Q136-L138 HydrophobicContact CG-CG 4.38Å; L138-V175 WeakPolarHBondContact CA-O 3.45Å; L138-V175 HydrophobicContact CD2-CB 3.84Å; L138-V175 HydrophobicContact CD2-CG1 3.92Å; L138-V175 HydrophobicContact CD2-CG2 4.34Å; L138-V175 HydrophobicContact CG-CB 4.44Å; L138-M177 HydrophobicContact CB-CG 4.17Å; L138-M177 HydrophobicContact CD2-CE 4.42Å; L138-M177 HydrophobicContact CD2-CG 3.9Å; L138-M177 HydrophobicContact CD2-SD 3.53Å; L138-M177 VanDerWaalsContact CD2-SD 3.53Å |
| 139 | S | 93.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 144.3 | 172.6 | -148.5 | 0 | 0 | 0 | 0 | 113.1 | M76 K108 G141 V175 D176 M177 | M76-S139 WeakPolarHBondContact O-CA 3.24Å; M76-S139 PolarHBondContact O-OG 2.86Å; K108-S139 PolarHBondContact NZ-OG 3.42Å; S139-G141 WeakPolarHBondContact CB-O 3.45Å; S139-G141 PolarHBondContact O-N 3.09Å; S139-G141 VanDerWaalsContact O-N 3.09Å; S139-G141 PolarHBondContact OG-O 3.5Å; S139-V175 PolarHBondContact N-O 2.93Å; S139-D176 WeakPolarHBondContact O-CA 3.15Å; S139-M177 PolarHBondContact O-N 3.04Å |
| 140 | L | 89.4 | Confident | 93.4 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -75.2 | 88.3 | 167.2 | -64.5 | 176.4 | 0 | 0 | 0 | 110 | P74 M76 K108 M177 R178 V182 F189 | P74-L140 HydrophobicContact CB-CB 3.63Å; P74-L140 HydrophobicContact CB-CD1 3.55Å; P74-L140 HydrophobicContact CB-CG 4.2Å; P74-L140 HydrophobicContact CG-CB 3.96Å; P74-L140 HydrophobicContact CG-CD1 4.48Å; M76-L140 HydrophobicContact CB-CD1 4.03Å; M76-L140 HydrophobicContact CB-CG 4.36Å; M76-L140 HydrophobicContact CE-CG 4.45Å; M76-L140 PolarHBondContact O-N 3.01Å; K108-L140 PolarHBondContact NZ-O 3.31Å; L140-M177 HydrophobicContact CD2-CB 3.74Å; L140-M177 WeakPolarHBondContact CD2-O 3.46Å; L140-R178 WeakPolarHBondContact CD2-O 3.39Å; L140-V182 HydrophobicContact CD2-CB 4.38Å; L140-V182 HydrophobicContact CD2-CG2 3.79Å; L140-V182 HydrophobicContact CG-CG2 4.36Å; L140-F189 HydrophobicContact CD1-CB 3.63Å; L140-F189 HydrophobicContact CD1-CD1 3.97Å; L140-F189 HydrophobicContact CD1-CD2 3.63Å; L140-F189 HydrophobicContact CD1-CE2 4.2Å; L140-F189 HydrophobicContact CD1-CG 3.48Å; L140-F189 VanDerWaalsContact CD1-CG 3.48Å |
| 141 | G | 88.3 | Confident | 93.3 | Very high | 19 Ų | 19 | 45.1 Ų | 45.1 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | S | Bend | trans | 67.2 | 171.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114 | K108 S139 V143 D176 | K108-G141 PolarHBondContact NZ-O 3.12Å; K108-G141 VanDerWaalsContact NZ-O 3.09Å; S139-G141 WeakPolarHBondContact CB-O 3.45Å; S139-G141 PolarHBondContact O-N 3.09Å; S139-G141 VanDerWaalsContact O-N 3.09Å; S139-G141 PolarHBondContact OG-O 3.5Å; G141-V143 VanDerWaalsContact C-N 3.26Å; G141-V143 PolarHBondContact O-N 2.94Å; G141-D176 WeakPolarHBondContact CA-OD1 3.19Å; G141-D176 PolarHBondContact N-OD1 3.41Å |
| 142 | G | 89.1 | Confident | 93.2 | Very high | 12 Ų | 12 | 44 Ų | 44 | 12% | 0.124 | 24% | 0.238 | C | C | . | . | S | Bend | trans | 88.3 | -12 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | H151 | G142-H151 PolarHBondContact O-NE2 3.08Š|
| 143 | V | 91.6 | Very high | 93.1 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | trans | -103.1 | 167 | 166.4 | -63.9 | 0 | 0 | 0 | 0 | 110.1 | Q66 L106 L137 G141 N148 F174 D176 | Q66-V143 PolarHBondContact NE2-O 3.04Å; L106-V143 HydrophobicContact CD2-CG1 4.18Å; L137-V143 HydrophobicContact CD2-CG1 4.28Å; L137-V143 HydrophobicContact CG-CG1 4.5Å; G141-V143 VanDerWaalsContact C-N 3.26Å; G141-V143 PolarHBondContact O-N 2.94Å; V143-N148 WeakPolarHBondContact CA-OD1 3.16Å; V143-F174 HydrophobicContact CB-CB 4.23Å; V143-F174 HydrophobicContact CG1-CB 4.39Å; V143-F174 HydrophobicContact CG1-CD1 4.02Å; V143-D176 HydrophobicContact CG2-CB 3.78Å | ||
| 144 | G | 87.9 | Confident | 93.1 | Very high | 14 Ų | 14 | 51.8 Ų | 51.8 | 14% | 0.144 | 28% | 0.284 | C | S | . | . | S | Bend | trans | 110.1 | 153.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | K147 N148 | G144-K147 WeakPolarHBondContact O-CB 3.46Å; G144-K147 PolarHBondContact O-N 2.82Å; G144-N148 WeakPolarHBondContact CA-ND2 3.49Å; G144-N148 VanDerWaalsContact N-CG 3.32Å; G144-N148 PolarHBondContact N-ND2 3.45Å; G144-N148 PolarHBondContact N-OD1 3.39Å |
| 145 | G | 85.6 | Confident | 93.1 | Very high | 63 Ų | 63 | 46.7 Ų | 46.7 | 65% | 0.649 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | 52 | -135.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | K147 N148 | G145-K147 VanDerWaalsContact C-N 3.27Å; G145-K147 PolarHBondContact O-N 3.29Å; G145-N148 PolarHBondContact O-N 2.76Å |
| 146 | E | 86.9 | Confident | 93.2 | Very high | 160 Ų | 160 | 48.3 Ų | 48.3 | 75% | 0.748 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -64.7 | -26.8 | -177.6 | -63.1 | -176 | 158.8 | 0 | 0 | 113.9 | N148 R149 | E146-N148 VanDerWaalsContact C-N 3.25Å; E146-N148 PolarHBondContact O-N 2.74Å; E146-R149 WeakPolarHBondContact O-CB 3.44Å; E146-R149 PolarHBondContact O-N 3.23Å; E146-R149 VanDerWaalsContact O-N 3.08Å |
| 147 | K | 91.5 | Very high | 93.4 | Very high | 119 Ų | 119 | 51.2 Ų | 51.2 | 52% | 0.517 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.2 | -39.3 | 178.8 | -62.9 | 179.6 | -178.2 | 175.9 | 0 | 111 | G144 G145 R149 S150 H151 | G144-K147 WeakPolarHBondContact O-CB 3.46Å; G144-K147 PolarHBondContact O-N 2.82Å; G145-K147 VanDerWaalsContact C-N 3.27Å; G145-K147 PolarHBondContact O-N 3.29Å; K147-R149 PolarHBondContact O-N 3.3Å; K147-S150 PolarHBondContact O-N 2.91Å; K147-S150 VanDerWaalsContact O-N 3.12Å; K147-H151 PolarHBondContact O-CD2 3.37Å; K147-H151 VanDerWaalsContact O-CG 3.24Å; K147-H151 PolarHBondContact O-N 3.37Å |
| 148 | N | 94.8 | Very high | 93.5 | Very high | 33 Ų | 33 | 53 Ų | 53 | 18% | 0.176 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.7 | -32.7 | 178.5 | -71.3 | -6.4 | 0 | 0 | 0 | 112 | V143 G144 G145 E146 H151 S152 F174 | V143-N148 WeakPolarHBondContact CA-OD1 3.16Å; G144-N148 WeakPolarHBondContact CA-ND2 3.49Å; G144-N148 VanDerWaalsContact N-CG 3.32Å; G144-N148 PolarHBondContact N-ND2 3.45Å; G144-N148 PolarHBondContact N-OD1 3.39Å; G145-N148 PolarHBondContact O-N 2.76Å; E146-N148 VanDerWaalsContact C-N 3.25Å; E146-N148 PolarHBondContact O-N 2.74Å; N148-H151 PolarHBondContact O-N 2.88Å; N148-S152 VanDerWaalsContact O-CB 3.28Å; N148-S152 WeakPolarHBondContact O-CB 3.49Å; N148-S152 PolarHBondContact O-N 3.03Å; N148-S152 PolarHBondContact O-OG 2.96Å; N148-F174 HydrophobicContact CB-CD2 4.13Å; N148-F174 HydrophobicContact CB-CE2 4.49Å; N148-F174 HydrophobicContact CB-CG 4.25Å; N148-F174 WeakPolarHBondContact ND2-CB 3.17Å |
| 149 | R | 94.2 | Very high | 93.7 | Very high | 189 Ų | 189 | 51.7 Ų | 51.7 | 71% | 0.713 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -62.9 | -46.5 | 176.1 | -171.3 | -176.9 | -66.8 | 146.9 | -0.4 | 111.5 | E146 K147 A153 | E146-R149 WeakPolarHBondContact O-CB 3.44Å; E146-R149 PolarHBondContact O-N 3.23Å; E146-R149 VanDerWaalsContact O-N 3.08Å; K147-R149 PolarHBondContact O-N 3.3Å; R149-A153 PolarHBondContact O-N 3.46Å; R149-A153 VanDerWaalsContact O-N 3.12Å |
| 150 | S | 95.2 | Very high | 93.9 | Very high | 58 Ų | 58 | 54 Ų | 54 | 41% | 0.406 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.6 | -42.8 | 175.3 | 165.5 | 0 | 0 | 0 | 0 | 111.5 | K147 A153 K154 | K147-S150 PolarHBondContact O-N 2.91Å; K147-S150 VanDerWaalsContact O-N 3.12Å; S150-A153 PolarHBondContact O-N 3.44Å; S150-K154 PolarHBondContact O-N 2.94Å |
| 151 | H | 96.4 | Very high | 94.3 | Very high | 9 Ų | 9 | 59 Ų | 59 | 4% | 0.042 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64 | -45.2 | 179.2 | -64 | -25.7 | 0 | 0 | 0 | 112.1 | M105 G142 K147 N148 A153 K154 L155 F174 | M105-H151 VanDerWaalsContact CE-CA 3.41Å; M105-H151 HydrophobicContact CE-CB 3.4Å; M105-H151 VanDerWaalsContact CE-CB 3.4Å; M105-H151 WeakPolarHBondContact CE-O 3.27Å; M105-H151 PolarHBondContact O-CE1 3.32Å; M105-H151 VanDerWaalsContact O-CE1 3.23Å; G142-H151 PolarHBondContact O-NE2 3.08Å; K147-H151 PolarHBondContact O-CD2 3.37Å; K147-H151 VanDerWaalsContact O-CG 3.24Å; K147-H151 PolarHBondContact O-N 3.37Å; N148-H151 PolarHBondContact O-N 2.88Å; H151-A153 PolarHBondContact O-N 2.95Å; H151-K154 PolarHBondContact O-N 3.26Å; H151-L155 WeakPolarHBondContact O-CB 3.39Å; H151-L155 PolarHBondContact O-N 3.1Å; H151-F174 HydrophobicContact CB-CE1 3.63Å; H151-F174 HydrophobicContact CB-CZ 3.98Å |
| 152 | S | 96.8 | Very high | 94.8 | Very high | 35 Ų | 35 | 60.1 Ų | 60.1 | 25% | 0.245 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -56.4 | -48.4 | 174.4 | -67.6 | 0 | 0 | 0 | 0 | 111.3 | N148 K154 L155 F156 F174 | N148-S152 VanDerWaalsContact O-CB 3.28Å; N148-S152 WeakPolarHBondContact O-CB 3.49Å; N148-S152 PolarHBondContact O-N 3.03Å; N148-S152 PolarHBondContact O-OG 2.96Å; S152-K154 VanDerWaalsContact C-N 3.3Å; S152-K154 PolarHBondContact O-N 2.97Å; S152-L155 PolarHBondContact O-N 2.91Å; S152-F156 VanDerWaalsContact O-CB 3.24Å; S152-F156 WeakPolarHBondContact O-CB 3.42Å; S152-F156 WeakPolarHBondContact O-CD2 3.5Å; S152-F156 WeakPolarHBondContact O-CG 3.49Å; S152-F156 PolarHBondContact O-N 3.48Å; S152-F174 WeakPolarHBondContact OG-CE2 3.41Å; S152-F174 WeakPolarHBondContact OG-CZ 3.45Å |
| 153 | A | 97 | Very high | 95.2 | Very high | 65 Ų | 65 | 60.2 Ų | 60.2 | 54% | 0.537 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57.4 | -43.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R149 S150 H151 K157 | R149-A153 PolarHBondContact O-N 3.46Å; R149-A153 VanDerWaalsContact O-N 3.12Å; S150-A153 PolarHBondContact O-N 3.44Å; H151-A153 PolarHBondContact O-N 2.95Å; A153-K157 WeakPolarHBondContact O-CB 3.35Å; A153-K157 PolarHBondContact O-N 2.96Å; A153-K157 VanDerWaalsContact O-N 3.14Å |
| 154 | K | 97.7 | Very high | 95.5 | Very high | 99 Ų | 99 | 62.6 Ų | 62.6 | 43% | 0.43 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -69.7 | -47.9 | 179.6 | -69.7 | 174.3 | -178.3 | -179.8 | 0 | 112.5 | L101 M105 S150 H151 S152 K157 H158 | L101-K154 HydrophobicContact CD1-CB 4.4Å; M105-K154 HydrophobicContact CE-CB 4.43Å; M105-K154 HydrophobicContact CG-CB 4.25Å; M105-K154 HydrophobicContact CG-CD 3.57Å; M105-K154 HydrophobicContact SD-CB 3.54Å; M105-K154 VanDerWaalsContact SD-CB 3.54Å; M105-K154 HydrophobicContact SD-CD 4.02Å; M105-K154 HydrophobicContact SD-CG 4.45Å; S150-K154 PolarHBondContact O-N 2.94Å; H151-K154 PolarHBondContact O-N 3.26Å; S152-K154 VanDerWaalsContact C-N 3.3Å; S152-K154 PolarHBondContact O-N 2.97Å; K154-K157 PolarHBondContact O-N 3.48Å; K154-H158 WeakPolarHBondContact O-CB 3.39Å; K154-H158 PolarHBondContact O-N 3.09Å |
| 155 | L | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 179.4 | -80.4 | 166 | 0 | 0 | 0 | 112.1 | F79 L101 I102 M105 L137 H151 S152 K157 H158 L159 I172 F174 | F79-L155 HydrophobicContact CZ-CD2 4.38Å; L101-L155 HydrophobicContact CD2-CD2 4.22Å; I102-L155 HydrophobicContact CG1-CD2 4.28Å; M105-L155 HydrophobicContact CE-CD1 3.78Å; M105-L155 HydrophobicContact CE-CG 3.72Å; M105-L155 HydrophobicContact SD-CD2 4.5Å; M105-L155 HydrophobicContact SD-CG 4.01Å; L137-L155 HydrophobicContact CD2-CD1 4.25Å; H151-L155 WeakPolarHBondContact O-CB 3.39Å; H151-L155 PolarHBondContact O-N 3.1Å; S152-L155 PolarHBondContact O-N 2.91Å; L155-K157 VanDerWaalsContact C-N 3.35Å; L155-K157 PolarHBondContact O-N 3.18Å; L155-H158 PolarHBondContact O-N 3.27Å; L155-L159 WeakPolarHBondContact O-CB 3.47Å; L155-L159 VanDerWaalsContact O-CG 3.28Å; L155-L159 WeakPolarHBondContact O-CG 3.45Å; L155-L159 PolarHBondContact O-N 2.9Å; L155-I172 HydrophobicContact CB-CD1 3.89Å; L155-I172 HydrophobicContact CD1-CD1 4.17Å; L155-F174 HydrophobicContact CD1-CE1 4.04Å; L155-F174 HydrophobicContact CD1-CZ 4.14Å |
| 156 | F | 98.3 | Very high | 96.6 | Very high | 46 Ų | 46 | 61.3 Ų | 61.3 | 20% | 0.202 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 179.4 | -82.1 | -127.8 | 0 | 0 | 0 | 110.3 | S152 H158 L159 T160 G167 M170 I172 | S152-F156 VanDerWaalsContact O-CB 3.24Å; S152-F156 WeakPolarHBondContact O-CB 3.42Å; S152-F156 WeakPolarHBondContact O-CD2 3.5Å; S152-F156 WeakPolarHBondContact O-CG 3.49Å; S152-F156 PolarHBondContact O-N 3.48Å; F156-H158 VanDerWaalsContact C-N 3.35Å; F156-H158 PolarHBondContact O-N 2.7Å; F156-L159 PolarHBondContact O-N 3.28Å; F156-T160 WeakPolarHBondContact O-CB 3.33Å; F156-T160 PolarHBondContact O-N 3Å; F156-T160 PolarHBondContact O-OG1 3.22Å; F156-G167 WeakPolarHBondContact CD1-O 3.4Å; F156-G167 WeakPolarHBondContact CE1-O 3.34Å; F156-M170 HydrophobicContact CB-CE 4.3Å; F156-M170 HydrophobicContact CD1-CB 4.37Å; F156-M170 HydrophobicContact CD1-CE 3.92Å; F156-M170 HydrophobicContact CE1-CB 3.83Å; F156-M170 HydrophobicContact CG-CE 4.2Å; F156-M170 HydrophobicContact CZ-CB 4.04Å; F156-M170 WeakPolarHBondContact CZ-O 3.46Å; F156-I172 HydrophobicContact CD2-CD1 3.91Å; F156-I172 HydrophobicContact CE2-CB 4.23Å; F156-I172 HydrophobicContact CE2-CD1 3.62Å; F156-I172 HydrophobicContact CE2-CG1 3.78Å; F156-I172 HydrophobicContact CZ-CG1 4.47Å |
| 157 | K | 98.4 | Very high | 97 | Very high | 123 Ų | 123 | 55.4 Ų | 55.4 | 54% | 0.535 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57.7 | -48.5 | 174.5 | -167 | -166.5 | -172.6 | -42.1 | 0 | 111.4 | A153 K154 L155 L159 T160 D161 | A153-K157 WeakPolarHBondContact O-CB 3.35Å; A153-K157 PolarHBondContact O-N 2.96Å; A153-K157 VanDerWaalsContact O-N 3.14Å; K154-K157 PolarHBondContact O-N 3.48Å; L155-K157 VanDerWaalsContact C-N 3.35Å; L155-K157 PolarHBondContact O-N 3.18Å; K157-L159 PolarHBondContact O-N 3.19Å; K157-T160 PolarHBondContact O-N 3.24Å; K157-D161 VanDerWaalsContact NZ-CG 3.32Å; K157-D161 IonicContact NZ-OD1 2.56Å; K157-D161 PolarHBondContact NZ-OD1 3.09Å; K157-D161 IonicContact NZ-OD2 2.63Å; K157-D161 PolarHBondContact NZ-OD2 3.3Å; K157-D161 WeakPolarHBondContact O-CB 3.42Å; K157-D161 PolarHBondContact O-N 2.96Å |
| 158 | H | 98.4 | Very high | 97.3 | Very high | 37 Ų | 37 | 56 Ų | 56 | 17% | 0.171 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.7 | -43.4 | -180 | -177.1 | 77.1 | 0 | 0 | 0 | 113.1 | F94 S97 T98 L101 K154 L155 F156 G162 | F94-H158 AromaticContact CD2-NE2 3.92Å; F94-H158 AromaticContact CE2-CD2 3.71Å; F94-H158 AromaticContact CE2-CE1 3.77Å; F94-H158 AromaticContact CE2-NE2 3.23Å; F94-H158 WeakPolarHBondContact CE2-NE2 3.34Å; F94-H158 AromaticContact CZ-CD2 3.65Å; F94-H158 AromaticContact CZ-NE2 3.51Å; S97-H158 PolarHBondContact OG-CE1 3.22Å; T98-H158 PolarHBondContact OG1-NE2 2.92Å; L101-H158 HydrophobicContact CD2-CB 3.39Å; L101-H158 VanDerWaalsContact CD2-CG 3.47Å; K154-H158 WeakPolarHBondContact O-CB 3.39Å; K154-H158 PolarHBondContact O-N 3.09Å; L155-H158 PolarHBondContact O-N 3.27Å; F156-H158 VanDerWaalsContact C-N 3.35Å; F156-H158 PolarHBondContact O-N 2.7Å; H158-G162 PolarHBondContact O-N 2.85Å |
| 159 | L | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69.8 | -38.6 | 177.2 | -67.7 | 165.6 | 0 | 0 | 0 | 112 | F79 F81 F94 L155 F156 K157 L163 M170 I172 | F79-L159 HydrophobicContact CZ-CD1 4.28Å; F81-L159 HydrophobicContact CD1-CD2 4.09Å; F81-L159 HydrophobicContact CD2-CD1 4.23Å; F81-L159 HydrophobicContact CE1-CD1 4.35Å; F81-L159 HydrophobicContact CE1-CD2 4.06Å; F81-L159 HydrophobicContact CE2-CD1 3.84Å; F81-L159 HydrophobicContact CG-CD2 4.48Å; F81-L159 HydrophobicContact CZ-CD1 3.9Å; F81-L159 HydrophobicContact CZ-CD2 4.44Å; F94-L159 HydrophobicContact CE1-CD2 4.36Å; F94-L159 HydrophobicContact CZ-CD2 4.16Å; L155-L159 WeakPolarHBondContact O-CB 3.47Å; L155-L159 VanDerWaalsContact O-CG 3.28Å; L155-L159 WeakPolarHBondContact O-CG 3.45Å; L155-L159 PolarHBondContact O-N 2.9Å; F156-L159 PolarHBondContact O-N 3.28Å; K157-L159 PolarHBondContact O-N 3.19Å; L159-L163 HydrophobicContact CD2-CD1 3.87Å; L159-L163 WeakPolarHBondContact O-CA 3.43Å; L159-L163 VanDerWaalsContact O-CB 3.27Å; L159-L163 WeakPolarHBondContact O-CB 3.3Å; L159-L163 PolarHBondContact O-N 2.67Å; L159-M170 HydrophobicContact CB-CE 4.24Å; L159-M170 HydrophobicContact CB-SD 3.67Å; L159-M170 HydrophobicContact CD1-SD 3.89Å; L159-M170 HydrophobicContact CG-SD 4.42Å; L159-I172 HydrophobicContact CD1-CD1 3.93Å |
| 160 | T | 98.4 | Very high | 97.6 | Very high | 49 Ų | 49 | 47 Ų | 47 | 30% | 0.301 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.8 | -49 | 174.9 | -65.6 | 0 | 0 | 0 | 0 | 111.1 | F156 K157 G164 I165 | F156-T160 WeakPolarHBondContact O-CB 3.33Å; F156-T160 PolarHBondContact O-N 3Å; F156-T160 PolarHBondContact O-OG1 3.22Å; K157-T160 PolarHBondContact O-N 3.24Å; T160-G164 VanDerWaalsContact O-CA 3.24Å; T160-G164 WeakPolarHBondContact O-CA 3.21Å; T160-G164 PolarHBondContact O-N 2.89Å; T160-I165 WeakPolarHBondContact CA-O 3.4Å; T160-I165 WeakPolarHBondContact CB-O 3.5Å; T160-I165 PolarHBondContact OG1-O 3.11Å |
| 161 | D | 98.1 | Very high | 97.7 | Very high | 109 Ų | 109 | 51.7 Ų | 51.7 | 58% | 0.583 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -65.1 | -41.6 | -179.2 | -66.3 | -11.8 | 0 | 0 | 0 | 111.6 | K157 | K157-D161 VanDerWaalsContact NZ-CG 3.32Å; K157-D161 IonicContact NZ-OD1 2.56Å; K157-D161 PolarHBondContact NZ-OD1 3.09Å; K157-D161 IonicContact NZ-OD2 2.63Å; K157-D161 PolarHBondContact NZ-OD2 3.3Å; K157-D161 WeakPolarHBondContact O-CB 3.42Å; K157-D161 PolarHBondContact O-N 2.96Å |
| 162 | G | 97.8 | Very high | 97.7 | Very high | 41 Ų | 41 | 52.1 Ų | 52.1 | 42% | 0.423 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -88.3 | -29.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | H158 | H158-G162 PolarHBondContact O-N 2.85Å |
| 163 | L | 97.9 | Very high | 97.6 | Very high | 15 Ų | 15 | 52.9 Ų | 52.9 | 8% | 0.079 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -118.7 | -3.5 | -175.4 | -55.8 | -178.7 | 0 | 0 | 0 | 113.7 | T83 V85 I90 F94 L159 I165 | T83-L163 HydrophobicContact CG2-CD1 4.5Å; V85-L163 HydrophobicContact CG2-CB 4.3Å; V85-L163 WeakPolarHBondContact CG2-O 3.45Å; I90-L163 HydrophobicContact CG1-CD2 4Å; F94-L163 HydrophobicContact CD1-CD2 3.91Å; F94-L163 HydrophobicContact CD1-CG 4.36Å; F94-L163 HydrophobicContact CE1-CD1 3.74Å; F94-L163 HydrophobicContact CE1-CD2 3.7Å; F94-L163 HydrophobicContact CE1-CG 3.65Å; F94-L163 HydrophobicContact CE2-CG 4.46Å; F94-L163 HydrophobicContact CG-CD2 4.45Å; F94-L163 HydrophobicContact CZ-CD1 4.11Å; F94-L163 HydrophobicContact CZ-CD2 4.1Å; F94-L163 HydrophobicContact CZ-CG 3.71Å; L159-L163 HydrophobicContact CD2-CD1 3.87Å; L159-L163 WeakPolarHBondContact O-CA 3.43Å; L159-L163 VanDerWaalsContact O-CB 3.27Å; L159-L163 WeakPolarHBondContact O-CB 3.3Å; L159-L163 PolarHBondContact O-N 2.67Å; L163-I165 HydrophobicContact CB-CD1 3.97Å; L163-I165 HydrophobicContact CB-CG1 3.94Å; L163-I165 HydrophobicContact CD1-CD1 4.06Å; L163-I165 PolarHBondContact O-N 3.16Å |
| 164 | G | 97.9 | Very high | 97.5 | Very high | 50 Ų | 50 | 51.6 Ų | 51.6 | 52% | 0.515 | 28% | 0.282 | S | S | . | . | trans | 68.6 | 17.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | T160 P166 | T160-G164 VanDerWaalsContact O-CA 3.24Å; T160-G164 WeakPolarHBondContact O-CA 3.21Å; T160-G164 PolarHBondContact O-N 2.89Å; G164-P166 WeakPolarHBondContact O-CD 3.42Å | ||
| 165 | I | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -83.9 | 122.7 | -179.5 | -53.5 | 171.2 | 0 | 0 | 0 | 109.2 | F81 T83 V85 P131 T160 L163 G167 R169 M170 | F81-I165 HydrophobicContact CE1-CD1 3.81Å; F81-I165 HydrophobicContact CZ-CD1 4.24Å; T83-I165 VanDerWaalsContact OG1-CD1 3.28Å; T83-I165 WeakPolarHBondContact OG1-CD1 3.2Å; V85-I165 HydrophobicContact CG2-CD1 4.09Å; V85-I165 HydrophobicContact CG2-CG1 3.81Å; P131-I165 HydrophobicContact CB-CG1 4.38Å; T160-I165 WeakPolarHBondContact CA-O 3.4Å; T160-I165 WeakPolarHBondContact CB-O 3.5Å; T160-I165 PolarHBondContact OG1-O 3.11Å; L163-I165 HydrophobicContact CB-CD1 3.97Å; L163-I165 HydrophobicContact CB-CG1 3.94Å; L163-I165 HydrophobicContact CD1-CD1 4.06Å; L163-I165 PolarHBondContact O-N 3.16Å; I165-G167 PolarHBondContact O-N 3.3Å; I165-R169 HydrophobicContact CG2-CB 4.41Å; I165-M170 HydrophobicContact CB-CE 4.35Å; I165-M170 HydrophobicContact CB-CG 4.23Å; I165-M170 HydrophobicContact CB-SD 3.83Å; I165-M170 HydrophobicContact CD1-SD 4.33Å; I165-M170 HydrophobicContact CG2-CE 4.26Å; I165-M170 HydrophobicContact CG2-CG 3.38Å; I165-M170 HydrophobicContact CG2-SD 3.67Å | ||
| 166 | P | 97.9 | Very high | 96.9 | Very high | 51 Ų | 51 | 52.4 Ų | 52.4 | 33% | 0.331 | 29% | 0.292 | S | S | . | . | trans | -59.4 | 138 | 175.6 | -25.7 | 36.3 | 0 | 0 | 0 | 112.1 | G164 N168 R169 | G164-P166 WeakPolarHBondContact O-CD 3.42Å; P166-N168 VanDerWaalsContact CB-OD1 3.3Å; P166-N168 WeakPolarHBondContact CB-OD1 3.31Å; P166-N168 PolarHBondContact O-N 3.46Å; P166-R169 HydrophobicContact CB-CB 4.49Å; P166-R169 HydrophobicContact CB-CG 4.22Å; P166-R169 PolarHBondContact O-N 2.96Å | ||
| 167 | G | 96.5 | Very high | 96.5 | Very high | 36 Ų | 36 | 52.6 Ų | 52.6 | 37% | 0.371 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -56.1 | -27.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | F156 I165 R169 | F156-G167 WeakPolarHBondContact CD1-O 3.4Å; F156-G167 WeakPolarHBondContact CE1-O 3.34Å; I165-G167 PolarHBondContact O-N 3.3Å; G167-R169 VanDerWaalsContact C-N 3.29Å; G167-R169 PolarHBondContact O-N 3.01Å |
| 168 | N | 97.4 | Very high | 95.9 | Very high | 130 Ų | 130 | 55.4 Ų | 55.4 | 70% | 0.695 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -85.3 | 6.8 | 176.9 | 67.5 | -23.9 | 0 | 0 | 0 | 114.2 | F125 P166 | F125-N168 WeakPolarHBondContact CE1-O 3.5Å; F125-N168 WeakPolarHBondContact CZ-O 3.42Å; P166-N168 VanDerWaalsContact CB-OD1 3.3Å; P166-N168 WeakPolarHBondContact CB-OD1 3.31Å; P166-N168 PolarHBondContact O-N 3.46Å |
| 169 | R | 98.2 | Very high | 95.3 | Very high | 30 Ų | 30 | 54.6 Ų | 54.6 | 11% | 0.113 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -120.7 | 27 | 179.2 | -62 | -176.2 | 62.3 | 77.9 | -2.8 | 112.2 | F125 T128 A130 P131 A132 G133 I165 P166 G167 | F125-R169 HydrophobicContact CD1-CB 4.3Å; F125-R169 HydrophobicContact CD1-CG 4.19Å; F125-R169 HydrophobicContact CG-CB 4.37Å; F125-R169 PolarHBondContact O-NH1 2.92Å; F125-R169 PolarHBondContact O-NH2 2.88Å; T128-R169 PolarHBondContact O-NH2 3.42Å; T128-R169 VanDerWaalsContact O-NH2 3.07Å; T128-R169 PolarHBondContact OG1-NH1 3.03Å; T128-R169 VanDerWaalsContact OG1-NH1 3.1Å; T128-R169 PolarHBondContact OG1-NH2 3.27Å; T128-R169 VanDerWaalsContact OG1-NH2 3.09Å; A130-R169 PolarHBondContact O-NH2 3.1Å; P131-R169 WeakPolarHBondContact O-CD 3.28Å; P131-R169 PolarHBondContact O-NE 3.44Å; A132-R169 WeakPolarHBondContact CA-O 3.42Å; A132-R169 HydrophobicContact CB-CB 4.14Å; G133-R169 PolarHBondContact N-O 3.46Å; G133-R169 VanDerWaalsContact N-O 3.09Å; I165-R169 HydrophobicContact CG2-CB 4.41Å; P166-R169 HydrophobicContact CB-CB 4.49Å; P166-R169 HydrophobicContact CB-CG 4.22Å; P166-R169 PolarHBondContact O-N 2.96Å; G167-R169 VanDerWaalsContact C-N 3.29Å; G167-R169 PolarHBondContact O-N 3.01Å |
| 170 | M | 97.8 | Very high | 94.8 | Very high | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.02 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 141.5 | 180 | -64.8 | -177.1 | -75.7 | 0 | 0 | 112.3 | F81 G133 F156 L159 I165 | F81-M170 HydrophobicContact CZ-CG 4.09Å; F81-M170 HydrophobicContact CZ-SD 3.95Å; G133-M170 VanDerWaalsContact O-CA 3.25Å; G133-M170 WeakPolarHBondContact O-CA 3.48Å; F156-M170 HydrophobicContact CB-CE 4.3Å; F156-M170 HydrophobicContact CD1-CB 4.37Å; F156-M170 HydrophobicContact CD1-CE 3.92Å; F156-M170 HydrophobicContact CE1-CB 3.83Å; F156-M170 HydrophobicContact CG-CE 4.2Å; F156-M170 HydrophobicContact CZ-CB 4.04Å; F156-M170 WeakPolarHBondContact CZ-O 3.46Å; L159-M170 HydrophobicContact CB-CE 4.24Å; L159-M170 HydrophobicContact CB-SD 3.67Å; L159-M170 HydrophobicContact CD1-SD 3.89Å; L159-M170 HydrophobicContact CG-SD 4.42Å; I165-M170 HydrophobicContact CB-CE 4.35Å; I165-M170 HydrophobicContact CB-CG 4.23Å; I165-M170 HydrophobicContact CB-SD 3.83Å; I165-M170 HydrophobicContact CD1-SD 4.33Å; I165-M170 HydrophobicContact CG2-CE 4.26Å; I165-M170 HydrophobicContact CG2-CG 3.38Å; I165-M170 HydrophobicContact CG2-SD 3.67Å |
| 171 | Y | 97 | Very high | 94.3 | Very high | 156 Ų | 156 | 60.2 Ų | 60.2 | 61% | 0.612 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 137.5 | 164.7 | -68.7 | -44.2 | 0 | 0 | 0 | 110.8 | F125 G133 F134 G135 | F125-Y171 AromaticContact CE2-CD2 3.9Å; F125-Y171 HydrophobicContact CE2-CD2 3.9Å; F125-Y171 AromaticContact CE2-CE2 3.68Å; F125-Y171 HydrophobicContact CE2-CE2 3.68Å; F125-Y171 HydrophobicContact CE2-CG 4.48Å; F125-Y171 HydrophobicContact CZ-CE1 4.45Å; F125-Y171 AromaticContact CZ-CE2 3.94Å; F125-Y171 HydrophobicContact CZ-CE2 3.94Å; F125-Y171 AromaticContact CZ-CZ 3.89Å; G133-Y171 PolarHBondContact O-N 3.38Å; F134-Y171 CarbonylContact C-O 3.5Å; F134-Y171 WeakPolarHBondContact CA-O 3.43Å; G135-Y171 PolarHBondContact N-O 3.42Å |
| 172 | I | 96.2 | Very high | 93.7 | Very high | 18 Ų | 18 | 55.6 Ų | 55.6 | 9% | 0.092 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 117.8 | 172.9 | -59.3 | 179.2 | 0 | 0 | 0 | 108.3 | F79 F81 G135 L137 L155 F156 L159 F174 | F79-I172 HydrophobicContact CE2-CD1 4.14Å; F79-I172 HydrophobicContact CE2-CG2 4.24Å; F79-I172 HydrophobicContact CZ-CD1 4.3Å; F81-I172 HydrophobicContact CE2-CG1 4.35Å; G135-I172 WeakPolarHBondContact O-CA 3.47Å; L137-I172 HydrophobicContact CB-CG2 4.5Å; L155-I172 HydrophobicContact CB-CD1 3.89Å; L155-I172 HydrophobicContact CD1-CD1 4.17Å; F156-I172 HydrophobicContact CD2-CD1 3.91Å; F156-I172 HydrophobicContact CE2-CB 4.23Å; F156-I172 HydrophobicContact CE2-CD1 3.62Å; F156-I172 HydrophobicContact CE2-CG1 3.78Å; F156-I172 HydrophobicContact CZ-CG1 4.47Å; L159-I172 HydrophobicContact CD1-CD1 3.93Å; I172-F174 HydrophobicContact CB-CE2 4.2Å; I172-F174 HydrophobicContact CB-CZ 4.45Å; I172-F174 HydrophobicContact CG2-CD2 4.39Å; I172-F174 HydrophobicContact CG2-CE1 4.36Å; I172-F174 HydrophobicContact CG2-CE2 3.95Å; I172-F174 HydrophobicContact CG2-CZ 3.94Å |
| 173 | N | 94.3 | Very high | 92.9 | Very high | 52 Ų | 52 | 56.6 Ų | 56.6 | 28% | 0.278 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 123.9 | 170.9 | -65.1 | -24.5 | 0 | 0 | 0 | 109.1 | G135 Q136 L137 V175 | G135-N173 PolarHBondContact O-N 2.81Å; Q136-N173 CarbonylContact C-O 3.45Å; Q136-N173 WeakPolarHBondContact CA-O 3.48Å; Q136-N173 HydrophobicContact CB-CB 4.03Å; Q136-N173 WeakPolarHBondContact CB-O 3.44Å; L137-N173 PolarHBondContact N-O 3.03Å; N173-V175 HydrophobicContact CB-CG2 4.28Å |
| 174 | F | 94.5 | Very high | 92.2 | Very high | 38 Ų | 38 | 61.7 Ų | 61.7 | 17% | 0.167 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 117.6 | 171.3 | -65.9 | -90.2 | 0 | 0 | 0 | 108.4 | L137 V143 N148 H151 S152 L155 I172 | L137-F174 HydrophobicContact CB-CD1 3.99Å; L137-F174 HydrophobicContact CB-CE1 4.21Å; L137-F174 HydrophobicContact CD2-CD1 3.89Å; L137-F174 HydrophobicContact CD2-CE1 3.78Å; L137-F174 HydrophobicContact CG-CD1 4.39Å; V143-F174 HydrophobicContact CB-CB 4.23Å; V143-F174 HydrophobicContact CG1-CB 4.39Å; V143-F174 HydrophobicContact CG1-CD1 4.02Å; N148-F174 HydrophobicContact CB-CD2 4.13Å; N148-F174 HydrophobicContact CB-CE2 4.49Å; N148-F174 HydrophobicContact CB-CG 4.25Å; N148-F174 WeakPolarHBondContact ND2-CB 3.17Å; H151-F174 HydrophobicContact CB-CE1 3.63Å; H151-F174 HydrophobicContact CB-CZ 3.98Å; S152-F174 WeakPolarHBondContact OG-CE2 3.41Å; S152-F174 WeakPolarHBondContact OG-CZ 3.45Å; L155-F174 HydrophobicContact CD1-CE1 4.04Å; L155-F174 HydrophobicContact CD1-CZ 4.14Å; I172-F174 HydrophobicContact CB-CE2 4.2Å; I172-F174 HydrophobicContact CB-CZ 4.45Å; I172-F174 HydrophobicContact CG2-CD2 4.39Å; I172-F174 HydrophobicContact CG2-CE1 4.36Å; I172-F174 HydrophobicContact CG2-CE2 3.95Å; I172-F174 HydrophobicContact CG2-CZ 3.94Å |
| 175 | V | 92.2 | Very high | 91.6 | Very high | 42 Ų | 42 | 66.3 Ų | 66.3 | 26% | 0.255 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 112.8 | -171.4 | -173.6 | 0 | 0 | 0 | 0 | 109 | L137 L138 S139 N173 M177 | L137-V175 PolarHBondContact O-N 3.47Å; L138-V175 WeakPolarHBondContact CA-O 3.45Å; L138-V175 HydrophobicContact CD2-CB 3.84Å; L138-V175 HydrophobicContact CD2-CG1 3.92Å; L138-V175 HydrophobicContact CD2-CG2 4.34Å; L138-V175 HydrophobicContact CG-CB 4.44Å; S139-V175 PolarHBondContact N-O 2.93Å; N173-V175 HydrophobicContact CB-CG2 4.28Å; V175-M177 HydrophobicContact CG1-CG 4.39Å; V175-M177 HydrophobicContact CG1-SD 3.66Å; V175-M177 PolarHBondContact O-N 3.28Å |
| 176 | D | 91.1 | Very high | 90.9 | Very high | 74 Ų | 74 | 70.9 Ų | 70.9 | 40% | 0.396 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 115.2 | 172.2 | -159.9 | 3 | 0 | 0 | 0 | 108.8 | Q66 S139 G141 V143 | Q66-D176 PolarHBondContact NE2-OD2 3.09Å; S139-D176 WeakPolarHBondContact O-CA 3.15Å; G141-D176 WeakPolarHBondContact CA-OD1 3.19Å; G141-D176 PolarHBondContact N-OD1 3.41Å; V143-D176 HydrophobicContact CG2-CB 3.78Å |
| 177 | M | 89.8 | Confident | 90.5 | Very high | 50 Ų | 50 | 72.2 Ų | 72.2 | 25% | 0.246 | 41% | 0.413 | C | S | . | . | trans | -97.3 | 147 | -176 | -65.4 | -62.9 | -67.3 | 0 | 0 | 110.1 | L138 S139 L140 V175 D181 V182 | L138-M177 HydrophobicContact CB-CG 4.17Å; L138-M177 HydrophobicContact CD2-CE 4.42Å; L138-M177 HydrophobicContact CD2-CG 3.9Å; L138-M177 HydrophobicContact CD2-SD 3.53Å; L138-M177 VanDerWaalsContact CD2-SD 3.53Å; S139-M177 PolarHBondContact O-N 3.04Å; L140-M177 HydrophobicContact CD2-CB 3.74Å; L140-M177 WeakPolarHBondContact CD2-O 3.46Å; V175-M177 HydrophobicContact CG1-CG 4.39Å; V175-M177 HydrophobicContact CG1-SD 3.66Å; V175-M177 PolarHBondContact O-N 3.28Å; M177-D181 HydrophobicContact CE-CB 4.29Å; M177-V182 HydrophobicContact CB-CG2 3.8Å; M177-V182 HydrophobicContact CE-CG2 3.95Å; M177-V182 HydrophobicContact CG-CG2 4.31Å | ||
| 178 | R | 86.5 | Confident | 89.9 | Confident | 181 Ų | 181 | 74 Ų | 74 | 68% | 0.683 | 42% | 0.416 | S | S | * | . | trans | -84 | 144.8 | 167.1 | -58.7 | 176.4 | 177.2 | 168.4 | -0.9 | 109.3 | L140 S180 D181 | L140-R178 WeakPolarHBondContact CD2-O 3.39Å; R178-S180 PolarHBondContact O-N 2.9Å; R178-D181 HydrophobicContact CB-CB 4.38Å; R178-D181 WeakPolarHBondContact CB-OD2 3.3Å; R178-D181 PolarHBondContact O-N 3.11Å | ||
| 179 | G | 84.5 | Confident | 89.1 | Confident | 20 Ų | 20 | 72.2 Ų | 72.2 | 21% | 0.206 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -55.6 | -42.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D181 V182 F189 | G179-D181 PolarHBondContact O-N 3.13Å; G179-D181 VanDerWaalsContact O-N 3.11Å; G179-V182 PolarHBondContact O-N 3.16Å; G179-V182 VanDerWaalsContact O-N 3.09Å; G179-F189 CarbonylContact C-O 3.16Å; G179-F189 WeakPolarHBondContact CA-O 2.78Å; G179-F189 PolarHBondContact O-N 2.92Å; G179-F189 VanDerWaalsContact O-N 3.16Å |
| 180 | S | 88.6 | Confident | 88.6 | Confident | 71 Ų | 71 | 74.3 Ų | 74.3 | 50% | 0.497 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -58.6 | -21.7 | 175.1 | 59.6 | 0 | 0 | 0 | 0 | 115 | R178 T188 | R178-S180 PolarHBondContact O-N 2.9Å; S180-T188 VanDerWaalsContact O-CG2 3.31Å; S180-T188 WeakPolarHBondContact O-CG2 3.24Å |
| 181 | D | 88.1 | Confident | 88.1 | Confident | 96 Ų | 96 | 78 Ų | 78 | 51% | 0.513 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -100.3 | 4 | -175.4 | -55.2 | -13.3 | 0 | 0 | 0 | 111.2 | M177 R178 G179 | M177-D181 HydrophobicContact CE-CB 4.29Å; R178-D181 HydrophobicContact CB-CB 4.38Å; R178-D181 WeakPolarHBondContact CB-OD2 3.3Å; R178-D181 PolarHBondContact O-N 3.11Å; G179-D181 PolarHBondContact O-N 3.13Å; G179-D181 VanDerWaalsContact O-N 3.11Å |
| 182 | V | 84.8 | Confident | 87.6 | Confident | 12 Ų | 12 | 73.7 Ų | 73.7 | 7% | 0.073 | 43% | 0.428 | C | S | . | . | trans | -124.2 | 113.7 | -178.8 | 179.1 | 0 | 0 | 0 | 0 | 110 | M76 L140 M177 G179 T188 F189 | M76-V182 HydrophobicContact CE-CB 4Å; M76-V182 HydrophobicContact CE-CG1 3.28Å; M76-V182 HydrophobicContact CE-CG2 3.46Å; M76-V182 VanDerWaalsContact CE-CG2 3.46Å; M76-V182 HydrophobicContact CG-CG1 4.09Å; M76-V182 HydrophobicContact SD-CG1 4.39Å; L140-V182 HydrophobicContact CD2-CB 4.38Å; L140-V182 HydrophobicContact CD2-CG2 3.79Å; L140-V182 HydrophobicContact CG-CG2 4.36Å; M177-V182 HydrophobicContact CB-CG2 3.8Å; M177-V182 HydrophobicContact CE-CG2 3.95Å; M177-V182 HydrophobicContact CG-CG2 4.31Å; G179-V182 PolarHBondContact O-N 3.16Å; G179-V182 VanDerWaalsContact O-N 3.09Å; V182-T188 VanDerWaalsContact O-CA 3.24Å; V182-T188 WeakPolarHBondContact O-CA 3.26Å; V182-F189 HydrophobicContact CB-CD2 3.91Å; V182-F189 HydrophobicContact CG1-CD2 3.5Å; V182-F189 HydrophobicContact CG1-CE2 3.64Å; V182-F189 PolarHBondContact O-N 3.27Å; V182-F189 VanDerWaalsContact O-N 3.16Å | ||
| 183 | G | 81.9 | Confident | 87.1 | Confident | 62 Ų | 62 | 76.9 Ų | 76.9 | 64% | 0.639 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 137.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S187 | G183-S187 CarbonylContact C-O 3.49Å; G183-S187 VanDerWaalsContact CA-O 3.26Å; G183-S187 WeakPolarHBondContact CA-O 3.38Å |
| 184 | Y | 82.1 | Confident | 86.7 | Confident | 122 Ų | 122 | 78.5 Ų | 78.5 | 48% | 0.478 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 133.4 | 170 | 176.3 | -107.7 | 0 | 0 | 0 | 110.6 | Y112 G186 S187 F189 | Y112-Y184 HydrophobicContact CE1-CE1 4.1Å; Y112-Y184 AromaticContact CE1-CZ 3.96Å; Y184-G186 VanDerWaalsContact C-N 3.32Å; Y184-G186 PolarHBondContact O-N 3.43Å; Y184-S187 PolarHBondContact N-O 2.8Å; Y184-S187 PolarHBondContact O-N 3.32Å; Y184-S187 VanDerWaalsContact O-N 3.14Å; Y184-S187 VanDerWaalsContact O-O 3.09Å; Y184-F189 HydrophobicContact CD1-CE1 4.07Å; Y184-F189 HydrophobicContact CD1-CE2 4.36Å; Y184-F189 AromaticContact CD1-CZ 3.78Å; Y184-F189 HydrophobicContact CD1-CZ 3.78Å; Y184-F189 HydrophobicContact CD2-CZ 4.25Å; Y184-F189 HydrophobicContact CG-CE1 4.35Å; Y184-F189 AromaticContact CG-CE2 3.85Å; Y184-F189 HydrophobicContact CG-CE2 3.85Å; Y184-F189 AromaticContact CG-CZ 3.61Å; Y184-F189 HydrophobicContact CG-CZ 3.61Å |
| 185 | N | 85.3 | Confident | 86.2 | Confident | 148 Ų | 148 | 81.2 Ų | 81.2 | 79% | 0.791 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 44.6 | 176.8 | -164.9 | 42.9 | 0 | 0 | 0 | 114.4 | S187 | N185-S187 VanDerWaalsContact C-N 3.27Å; N185-S187 PolarHBondContact O-N 3.14Å |
| 186 | G | 85.3 | Confident | 85.7 | Confident | 95 Ų | 95 | 84 Ų | 84 | 98% | 0.979 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | 3.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y184 | Y184-G186 VanDerWaalsContact C-N 3.32Å; Y184-G186 PolarHBondContact O-N 3.43Å |
| 187 | S | 87.6 | Confident | 85.3 | Confident | 80 Ų | 80 | 84.8 Ų | 84.8 | 56% | 0.559 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.4 | -176.6 | 173.8 | -176.1 | 0 | 0 | 0 | 0 | 110 | G183 Y184 N185 | G183-S187 CarbonylContact C-O 3.49Å; G183-S187 VanDerWaalsContact CA-O 3.26Å; G183-S187 WeakPolarHBondContact CA-O 3.38Å; Y184-S187 PolarHBondContact N-O 2.8Å; Y184-S187 PolarHBondContact O-N 3.32Å; Y184-S187 VanDerWaalsContact O-N 3.14Å; Y184-S187 VanDerWaalsContact O-O 3.09Å; N185-S187 VanDerWaalsContact C-N 3.27Å; N185-S187 PolarHBondContact O-N 3.14Å |
| 188 | T | 83.9 | Confident | 85 | Confident | 73 Ų | 73 | 87.7 Ų | 87.7 | 45% | 0.448 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 165.3 | 159.8 | 56.2 | 0 | 0 | 0 | 0 | 110.4 | S180 V182 | S180-T188 VanDerWaalsContact O-CG2 3.31Å; S180-T188 WeakPolarHBondContact O-CG2 3.24Å; V182-T188 VanDerWaalsContact O-CA 3.24Å; V182-T188 WeakPolarHBondContact O-CA 3.26Å |
| 189 | F | 80.9 | Confident | 84.8 | Confident | 92 Ų | 92 | 79.2 Ų | 79.2 | 40% | 0.404 | 51% | 0.508 | S | S | . | . | trans | -73.6 | 0 | 177.7 | -85.5 | -84.5 | 0 | 0 | 0 | 113.6 | M76 L140 G179 V182 Y184 | M76-F189 HydrophobicContact CB-CD2 4.46Å; M76-F189 HydrophobicContact CB-CE1 4.49Å; M76-F189 HydrophobicContact CB-CE2 3.65Å; M76-F189 HydrophobicContact CB-CZ 3.68Å; M76-F189 HydrophobicContact CG-CE2 3.88Å; M76-F189 HydrophobicContact CG-CZ 4.2Å; L140-F189 HydrophobicContact CD1-CB 3.63Å; L140-F189 HydrophobicContact CD1-CD1 3.97Å; L140-F189 HydrophobicContact CD1-CD2 3.63Å; L140-F189 HydrophobicContact CD1-CE2 4.2Å; L140-F189 HydrophobicContact CD1-CG 3.48Å; L140-F189 VanDerWaalsContact CD1-CG 3.48Å; G179-F189 CarbonylContact C-O 3.16Å; G179-F189 WeakPolarHBondContact CA-O 2.78Å; G179-F189 PolarHBondContact O-N 2.92Å; G179-F189 VanDerWaalsContact O-N 3.16Å; V182-F189 HydrophobicContact CB-CD2 3.91Å; V182-F189 HydrophobicContact CG1-CD2 3.5Å; V182-F189 HydrophobicContact CG1-CE2 3.64Å; V182-F189 PolarHBondContact O-N 3.27Å; V182-F189 VanDerWaalsContact O-N 3.16Å; Y184-F189 HydrophobicContact CD1-CE1 4.07Å; Y184-F189 HydrophobicContact CD1-CE2 4.36Å; Y184-F189 AromaticContact CD1-CZ 3.78Å; Y184-F189 HydrophobicContact CD1-CZ 3.78Å; Y184-F189 HydrophobicContact CD2-CZ 4.25Å; Y184-F189 HydrophobicContact CG-CE1 4.35Å; Y184-F189 AromaticContact CG-CE2 3.85Å; Y184-F189 HydrophobicContact CG-CE2 3.85Å; Y184-F189 AromaticContact CG-CZ 3.61Å; Y184-F189 HydrophobicContact CG-CZ 3.61Å |
Retrieved 189 of 189 residues in 203.4 ms
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