| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 47.4 | Very low | 65.5 | Low | 238 Ų | 238 | 141.3 Ų | 141.3 | 100% | 1.172 | 81% | 0.808 | S | S | * | * | 0 | 111.8 | 0 | -62.8 | 166.8 | 81.6 | 0 | 0 | 107 | |||||
| 2 | Q | 51.1 | Low | 65.5 | Low | 195 Ų | 195 | 144.2 Ų | 144.2 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | trans | -125.3 | 115.1 | 170 | -80.5 | -178.9 | -8.2 | 0 | 0 | 106.3 | S4 | Q2-S4 PolarHBondContact O-N 3.19Š| ||
| 3 | V | 62.3 | Low | 65.2 | Low | 142 Ų | 142 | 138.7 Ų | 138.7 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | trans | -86.5 | 105.5 | 178.6 | -177.6 | 0 | 0 | 0 | 0 | 106.4 | G5 | V3-G5 PolarHBondContact O-N 2.73Å; V3-G5 VanDerWaalsContact O-N 3.11Å | ||
| 4 | S | 67 | Low | 65 | Low | 115 Ų | 115 | 135.3 Ų | 135.3 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -69.7 | 102.6 | 169.3 | -72.2 | 0 | 0 | 0 | 0 | 108.4 | Q2 T6 | Q2-S4 PolarHBondContact O-N 3.19Å; S4-T6 PolarHBondContact O-N 3.41Å | ||
| 5 | G | 68.7 | Low | 65 | Low | 67 Ų | 67 | 136 Ų | 136 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | trans | -71.7 | 109.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | V3 I7 | V3-G5 PolarHBondContact O-N 2.73Å; V3-G5 VanDerWaalsContact O-N 3.11Å; G5-I7 PolarHBondContact O-N 3.32Å | ||
| 6 | T | 68.8 | Low | 65.2 | Low | 127 Ų | 127 | 131.4 Ų | 131.4 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | trans | -73.9 | 112.6 | 164.7 | 42.2 | 0 | 0 | 0 | 0 | 109 | S4 V8 | S4-T6 PolarHBondContact O-N 3.41Å; T6-V8 PolarHBondContact O-N 3.03Å | ||
| 7 | I | 72.4 | Confident | 66.3 | Low | 154 Ų | 154 | 130.5 Ų | 130.5 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | trans | -74.1 | 110.3 | 167.6 | -63.2 | 176.1 | 0 | 0 | 0 | 107.2 | G5 V9 | G5-I7 PolarHBondContact O-N 3.32Å; I7-V9 HydrophobicContact CG2-CG2 3.95Å; I7-V9 PolarHBondContact O-N 3.15Å | ||
| 8 | V | 73.5 | Confident | 67.4 | Low | 116 Ų | 116 | 125.6 Ų | 125.6 | 70% | 0.703 | 73% | 0.731 | S | S | * | * | trans | -85.3 | 104.1 | 169.8 | -178.6 | 0 | 0 | 0 | 0 | 107.3 | T6 I10 | T6-V8 PolarHBondContact O-N 3.03Å; V8-I10 HydrophobicContact CG1-CG1 3.95Å; V8-I10 PolarHBondContact O-N 3.01Å | ||
| 9 | V | 72 | Confident | 68.8 | Low | 111 Ų | 111 | 122.2 Ų | 122.2 | 67% | 0.673 | 71% | 0.706 | S | S | * | * | trans | -80.9 | 97.8 | 170.3 | -177.8 | 0 | 0 | 0 | 0 | 107.3 | I7 L11 | I7-V9 HydrophobicContact CG2-CG2 3.95Å; I7-V9 PolarHBondContact O-N 3.15Å; V9-L11 PolarHBondContact O-N 2.05Å; V9-L11 VanDerWaalsContact O-N 3.15Å | ||
| 10 | I | 70.4 | Confident | 70.3 | Confident | 133 Ų | 133 | 121.5 Ų | 121.5 | 68% | 0.682 | 70% | 0.699 | S | S | * | * | trans | -75.9 | 99.9 | 168.3 | -60.5 | 174.8 | 0 | 0 | 0 | 106.3 | V8 M12 | V8-I10 HydrophobicContact CG1-CG1 3.95Å; V8-I10 PolarHBondContact O-N 3.01Å; I10-M12 VanDerWaalsContact C-N 3.32Å; I10-M12 HydrophobicContact CG2-CG 4.43Å; I10-M12 PolarHBondContact O-N 3.17Å | ||
| 11 | L | 67.4 | Low | 71.6 | Confident | 156 Ų | 156 | 116.6 Ų | 116.6 | 82% | 0.817 | 67% | 0.669 | S | S | * | * | trans | -62.3 | 99.3 | 163.4 | -84.8 | 131.9 | 0 | 0 | 0 | 107.1 | V9 A13 | V9-L11 PolarHBondContact O-N 2.05Å; V9-L11 VanDerWaalsContact O-N 3.15Å; L11-A13 PolarHBondContact O-N 3.06Å | ||
| 12 | M | 64.6 | Low | 74 | Confident | 176 Ų | 176 | 111.8 Ų | 111.8 | 87% | 0.867 | 64% | 0.644 | S | S | * | * | trans | -68 | 85 | 162.5 | -68.5 | -170.4 | -96 | 0 | 0 | 106.4 | I10 A14 | I10-M12 VanDerWaalsContact C-N 3.32Å; I10-M12 HydrophobicContact CG2-CG 4.43Å; I10-M12 PolarHBondContact O-N 3.17Å; M12-A14 PolarHBondContact O-N 3.43Å | ||
| 13 | A | 61.6 | Low | 76.2 | Confident | 73 Ų | 73 | 106.2 Ų | 106.2 | 60% | 0.603 | 61% | 0.614 | S | S | * | * | trans | -60.9 | 108.7 | 163.3 | 0 | 0 | 0 | 0 | 0 | 105.4 | L11 N15 | L11-A13 PolarHBondContact O-N 3.06Å; A13-N15 VanDerWaalsContact C-N 3.29Å; A13-N15 PolarHBondContact O-N 3.22Å | ||
| 14 | A | 63.1 | Low | 77.9 | Confident | 91 Ų | 91 | 100.7 Ų | 100.7 | 75% | 0.752 | 58% | 0.582 | S | S | * | * | trans | -60.4 | 101.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 105.7 | M12 V16 | M12-A14 PolarHBondContact O-N 3.43Å; A14-V16 PolarHBondContact O-N 2.71Å | ||
| 15 | N | 65.4 | Low | 79.4 | Confident | 146 Ų | 146 | 99 Ų | 99 | 78% | 0.781 | 56% | 0.563 | S | S | * | * | trans | -64.6 | 107.6 | 175.5 | -64.9 | -46.1 | 0 | 0 | 0 | 106.1 | A13 E17 | A13-N15 VanDerWaalsContact C-N 3.29Å; A13-N15 PolarHBondContact O-N 3.22Å; N15-E17 PolarHBondContact O-N 2.94Å | ||
| 16 | V | 67.7 | Low | 80.8 | Confident | 62 Ų | 62 | 95.8 Ų | 95.8 | 38% | 0.376 | 53% | 0.53 | S | S | . | . | trans | -69.2 | 87.1 | 168.2 | 176.3 | 0 | 0 | 0 | 0 | 106.5 | A14 A18 H98 L101 N102 | A14-V16 PolarHBondContact O-N 2.71Å; V16-A18 PolarHBondContact O-N 3.03Å; V16-H98 WeakPolarHBondContact CG2-NE2 3.41Å; V16-L101 HydrophobicContact CG1-CB 4.36Å; V16-N102 HydrophobicContact CG1-CB 3.72Å | ||
| 17 | E | 83.1 | Confident | 82.2 | Confident | 116 Ų | 116 | 89.7 Ų | 89.7 | 54% | 0.542 | 49% | 0.493 | S | S | . | . | trans | -75.6 | 109.2 | 174.9 | -174.4 | -176 | -156.5 | 0 | 0 | 107.6 | N15 R103 | N15-E17 PolarHBondContact O-N 2.94Å; E17-R103 WeakPolarHBondContact O-CB 3.48Å; E17-R103 WeakPolarHBondContact O-CG 3.04Å; E17-R103 PolarHBondContact O-N 2.96Å; E17-R103 WeakPolarHBondContact OE2-CD 3.32Å; E17-R103 IonicContact OE2-CZ 3.74Å; E17-R103 IonicContact OE2-NE 3.83Å; E17-R103 IonicContact OE2-NH1 2.94Å; E17-R103 PolarHBondContact OE2-NH1 2.97Å | ||
| 18 | A | 87 | Confident | 83.3 | Confident | 43 Ų | 43 | 87 Ų | 87 | 36% | 0.355 | 48% | 0.476 | S | S | . | . | trans | -74.9 | 161.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | V16 | V16-A18 PolarHBondContact O-N 3.03Š| ||
| 19 | K | 94.1 | Very high | 84.5 | Confident | 60 Ų | 60 | 85.3 Ų | 85.3 | 26% | 0.261 | 46% | 0.459 | S | S | . | . | trans | -144.5 | 134.1 | 178.1 | 174.5 | 171.4 | 175.1 | 173.1 | 0 | 111.4 | Y21 T58 R103 | K19-Y21 HydrophobicContact CB-CD2 4.44Å; K19-Y21 HydrophobicContact CB-CE2 4.27Å; K19-Y21 HydrophobicContact CD-CD1 4.36Å; K19-Y21 HydrophobicContact CD-CD2 4.01Å; K19-Y21 HydrophobicContact CD-CE1 4.17Å; K19-Y21 HydrophobicContact CD-CE2 3.79Å; K19-Y21 HydrophobicContact CD-CG 4.29Å; K19-Y21 HydrophobicContact CG-CD2 3.91Å; K19-Y21 HydrophobicContact CG-CE2 4Å; K19-Y21 HydrophobicContact CG-CG 4.41Å; K19-T58 PolarHBondContact N-OG1 2.83Å; K19-T58 WeakPolarHBondContact O-CG2 3.49Å; K19-T58 PolarHBondContact O-N 3.16Å; K19-T58 PolarHBondContact O-OG1 3Å; K19-R103 HydrophobicContact CB-CB 3.69Å | ||
| 20 | I | 97.8 | Very high | 85.7 | Confident | 108 Ų | 108 | 80 Ų | 80 | 55% | 0.554 | 43% | 0.427 | S | S | * | . | B | Isolated β-bridge | trans | -86.4 | 120.4 | 158.7 | -56.8 | 175.2 | 0 | 0 | 0 | 107.7 | F56 D57 | I20-F56 WeakPolarHBondContact CA-O 3.05Å; I20-D57 HydrophobicContact CG1-CB 3.93Å |
| 21 | Y | 98.2 | Very high | 87 | Confident | 20 Ų | 20 | 75.7 Ų | 75.7 | 8% | 0.078 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -84 | 131.1 | 179.4 | -85.3 | -99.5 | 0 | 0 | 0 | 112 | K19 D25 L26 F56 T58 I73 R103 I105 | K19-Y21 HydrophobicContact CB-CD2 4.44Å; K19-Y21 HydrophobicContact CB-CE2 4.27Å; K19-Y21 HydrophobicContact CD-CD1 4.36Å; K19-Y21 HydrophobicContact CD-CD2 4.01Å; K19-Y21 HydrophobicContact CD-CE1 4.17Å; K19-Y21 HydrophobicContact CD-CE2 3.79Å; K19-Y21 HydrophobicContact CD-CG 4.29Å; K19-Y21 HydrophobicContact CG-CD2 3.91Å; K19-Y21 HydrophobicContact CG-CE2 4Å; K19-Y21 HydrophobicContact CG-CG 4.41Å; Y21-D25 HydrophobicContact CD1-CB 4.38Å; Y21-L26 HydrophobicContact CD1-CB 4.25Å; Y21-L26 HydrophobicContact CD1-CD1 4.34Å; Y21-L26 HydrophobicContact CG-CB 4.41Å; Y21-L26 HydrophobicContact CG-CD1 4.35Å; Y21-F56 PolarHBondContact N-O 2.94Å; Y21-F56 VanDerWaalsContact O-CB 3.27Å; Y21-F56 WeakPolarHBondContact O-CB 3.38Å; Y21-F56 WeakPolarHBondContact O-CD2 3.35Å; Y21-T58 HydrophobicContact CD2-CG2 3.97Å; Y21-T58 HydrophobicContact CE2-CG2 3.77Å; Y21-I73 HydrophobicContact CD2-CD1 4.11Å; Y21-R103 PolarHBondContact OH-O 2.62Å; Y21-I105 HydrophobicContact CE1-CD1 4.42Å; Y21-I105 HydrophobicContact CE2-CD1 4.24Å; Y21-I105 HydrophobicContact CE2-CG1 4.42Å; Y21-I105 HydrophobicContact CE2-CG2 3.82Å |
| 22 | E | 98 | Very high | 88.3 | Confident | 137 Ų | 137 | 72.5 Ų | 72.5 | 64% | 0.64 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 140.3 | 161.8 | -68.9 | -61.8 | 147.5 | 0 | 0 | 110.3 | C24 D25 L26 | E22-C24 VanDerWaalsContact C-N 3.3Å; E22-C24 PolarHBondContact O-N 3.17Å; E22-C24 VanDerWaalsContact O-N 3.15Å; E22-D25 HydrophobicContact CB-CB 4.27Å; E22-D25 WeakPolarHBondContact O-CB 3.24Å; E22-D25 PolarHBondContact O-N 3.27Å; E22-L26 PolarHBondContact O-N 3.42Å |
| 23 | R | 98 | Very high | 89.9 | Confident | 78 Ų | 78 | 65.1 Ų | 65.1 | 29% | 0.294 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -47.9 | -48.9 | -175.7 | 178.3 | 178.3 | 56.9 | 83.9 | 0.1 | 113.1 | L26 A27 L47 F56 W140 R142 C144 | R23-L26 PolarHBondContact O-N 3.24Å; R23-A27 WeakPolarHBondContact O-CB 3.07Å; R23-A27 PolarHBondContact O-N 3.06Å; R23-L47 HydrophobicContact CG-CD1 4.38Å; R23-F56 HydrophobicContact CB-CE2 4.01Å; R23-F56 HydrophobicContact CG-CE2 4.41Å; R23-W140 WeakPolarHBondContact CD-O 3.46Å; R23-W140 HydrophobicContact CG-CE3 4.16Å; R23-W140 PolarHBondContact NH1-O 3.02Å; R23-R142 PolarHBondContact NH1-O 3.47Å; R23-R142 PolarHBondContact NH2-O 3.49Å; R23-C144 PolarHBondContact NH1-SG 2.69Å |
| 24 | C | 98.1 | Very high | 91.6 | Very high | 26 Ų | 26 | 63.8 Ų | 63.8 | 18% | 0.176 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -76.1 | -26.9 | -176.7 | -67.2 | 0 | 0 | 0 | 0 | 113.9 | E22 K28 C144 | E22-C24 VanDerWaalsContact C-N 3.3Å; E22-C24 PolarHBondContact O-N 3.17Å; E22-C24 VanDerWaalsContact O-N 3.15Å; C24-K28 WeakPolarHBondContact O-CG 3.25Å; C24-K28 PolarHBondContact O-N 3.48Å; C24-C144 WeakPolarHBondContact CA-SG 3.42Å; C24-C144 HydrophobicContact CB-CB 3.6Å; C24-C144 WeakPolarHBondContact CB-SG 3.36Å; C24-C144 WeakPolarHBondContact SG-CA 3.41Å; C24-C144 WeakPolarHBondContact SG-CB 3.47Å; C24-C144 CovalentContact SG-SG 2.05Å; C24-C144 PolarHBondContact SG-SG 3.03Å |
| 25 | D | 96.9 | Very high | 93.2 | Very high | 78 Ų | 78 | 59.4 Ų | 59.4 | 42% | 0.417 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -69.6 | -43 | 172.7 | -77.8 | -2.2 | 0 | 0 | 0 | 110.3 | Y21 E22 K28 K29 | Y21-D25 HydrophobicContact CD1-CB 4.38Å; E22-D25 HydrophobicContact CB-CB 4.27Å; E22-D25 WeakPolarHBondContact O-CB 3.24Å; E22-D25 PolarHBondContact O-N 3.27Å; D25-K28 PolarHBondContact O-N 2.93Å; D25-K29 WeakPolarHBondContact O-CB 3.2Å; D25-K29 PolarHBondContact O-N 2.91Å |
| 26 | L | 98.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.7 | -47.2 | 173.5 | -173.5 | 56 | 0 | 0 | 0 | 110.7 | Y21 E22 R23 K28 K29 L30 L47 A50 F56 I73 I105 | Y21-L26 HydrophobicContact CD1-CB 4.25Å; Y21-L26 HydrophobicContact CD1-CD1 4.34Å; Y21-L26 HydrophobicContact CG-CB 4.41Å; Y21-L26 HydrophobicContact CG-CD1 4.35Å; E22-L26 PolarHBondContact O-N 3.42Å; R23-L26 PolarHBondContact O-N 3.24Å; L26-K28 VanDerWaalsContact C-N 3.31Å; L26-K28 PolarHBondContact O-N 2.96Å; L26-K29 WeakPolarHBondContact O-CB 3.46Å; L26-K29 PolarHBondContact O-N 2.92Å; L26-L30 HydrophobicContact CD1-CD1 4.18Å; L26-L30 HydrophobicContact CD1-CD2 4.16Å; L26-L30 HydrophobicContact CD1-CG 3.98Å; L26-L30 HydrophobicContact CD2-CD1 4.49Å; L26-L30 HydrophobicContact CG-CD1 3.81Å; L26-L30 HydrophobicContact CG-CG 4.1Å; L26-L30 VanDerWaalsContact O-CG 3.26Å; L26-L30 WeakPolarHBondContact O-CG 3.42Å; L26-L30 PolarHBondContact O-N 3.24Å; L26-L47 HydrophobicContact CB-CD2 3.88Å; L26-L47 HydrophobicContact CD2-CD2 3.73Å; L26-L47 HydrophobicContact CG-CD2 3.72Å; L26-A50 HydrophobicContact CD2-CB 4.28Å; L26-F56 HydrophobicContact CD2-CB 4.36Å; L26-F56 HydrophobicContact CD2-CD1 3.28Å; L26-F56 HydrophobicContact CD2-CE1 3.56Å; L26-F56 HydrophobicContact CD2-CG 3.9Å; L26-F56 HydrophobicContact CD2-CZ 4.38Å; L26-I73 HydrophobicContact CD1-CD1 3.87Å; L26-I73 HydrophobicContact CD2-CD1 3.84Å; L26-I105 HydrophobicContact CD1-CD1 3.43Å; L26-I105 VanDerWaalsContact CD1-CD1 3.43Å |
| 27 | A | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -51.4 | -50.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R23 K29 L30 E31 I43 L47 L141 M146 | R23-A27 WeakPolarHBondContact O-CB 3.07Å; R23-A27 PolarHBondContact O-N 3.06Å; A27-K29 VanDerWaalsContact C-N 3.35Å; A27-K29 PolarHBondContact O-N 3.09Å; A27-L30 PolarHBondContact O-N 3Å; A27-E31 WeakPolarHBondContact O-CB 3.27Å; A27-E31 PolarHBondContact O-N 2.93Å; A27-I43 HydrophobicContact CB-CG2 4.11Å; A27-L47 HydrophobicContact CB-CD1 3.77Å; A27-L47 HydrophobicContact CB-CD2 4.38Å; A27-L141 HydrophobicContact CB-CD2 3.91Å; A27-M146 HydrophobicContact CB-CE 3.71Å; A27-M146 HydrophobicContact CB-SD 3.79Å; A27-M146 VanDerWaalsContact O-CE 3.27Å; A27-M146 WeakPolarHBondContact O-CE 3.23Å |
| 28 | K | 97.2 | Very high | 96.8 | Very high | 96 Ų | 96 | 52.5 Ų | 52.5 | 42% | 0.417 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.3 | -38.3 | 178.6 | -70.6 | 169.9 | -174.2 | 169.3 | 0 | 112.2 | C24 D25 L26 A32 C144 M146 | C24-K28 WeakPolarHBondContact O-CG 3.25Å; C24-K28 PolarHBondContact O-N 3.48Å; D25-K28 PolarHBondContact O-N 2.93Å; L26-K28 VanDerWaalsContact C-N 3.31Å; L26-K28 PolarHBondContact O-N 2.96Å; K28-A32 VanDerWaalsContact O-CB 3.25Å; K28-A32 WeakPolarHBondContact O-CB 3.07Å; K28-A32 PolarHBondContact O-N 3.3Å; K28-C144 WeakPolarHBondContact CE-O 3.2Å; K28-M146 HydrophobicContact CG-SD 3.68Å |
| 29 | K | 97.1 | Very high | 97.3 | Very high | 82 Ų | 82 | 56.8 Ų | 56.8 | 36% | 0.357 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.4 | -46.2 | 177.9 | -170.5 | 71.5 | 175.6 | -170.7 | 0 | 111.4 | D25 L26 A27 A32 A33 I105 I109 | D25-K29 WeakPolarHBondContact O-CB 3.2Å; D25-K29 PolarHBondContact O-N 2.91Å; L26-K29 WeakPolarHBondContact O-CB 3.46Å; L26-K29 PolarHBondContact O-N 2.92Å; A27-K29 VanDerWaalsContact C-N 3.35Å; A27-K29 PolarHBondContact O-N 3.09Å; K29-A32 PolarHBondContact O-N 3.23Å; K29-A33 WeakPolarHBondContact O-CB 3.42Å; K29-A33 PolarHBondContact O-N 2.69Å; K29-I105 HydrophobicContact CG-CD1 4Å; K29-I105 HydrophobicContact CG-CG1 4.13Å; K29-I109 HydrophobicContact CG-CD1 4.49Å |
| 30 | L | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 176.9 | -61.4 | 171.7 | 0 | 0 | 0 | 111 | L26 A27 A33 G34 L35 I43 W46 L47 F74 I109 | L26-L30 HydrophobicContact CD1-CD1 4.18Å; L26-L30 HydrophobicContact CD1-CD2 4.16Å; L26-L30 HydrophobicContact CD1-CG 3.98Å; L26-L30 HydrophobicContact CD2-CD1 4.49Å; L26-L30 HydrophobicContact CG-CD1 3.81Å; L26-L30 HydrophobicContact CG-CG 4.1Å; L26-L30 VanDerWaalsContact O-CG 3.26Å; L26-L30 WeakPolarHBondContact O-CG 3.42Å; L26-L30 PolarHBondContact O-N 3.24Å; A27-L30 PolarHBondContact O-N 3Å; L30-A33 CarbonylContact O-C 3.57Å; L30-A33 PolarHBondContact O-N 2.88Å; L30-G34 PolarHBondContact O-N 3.26Å; L30-L35 HydrophobicContact CB-CB 4.32Å; L30-L35 HydrophobicContact CB-CD2 4.16Å; L30-L35 HydrophobicContact CD2-CD2 3.5Å; L30-L35 VanDerWaalsContact CD2-CD2 3.5Å; L30-L35 HydrophobicContact CG-CD2 4.36Å; L30-L35 WeakPolarHBondContact O-CB 3.43Å; L30-L35 PolarHBondContact O-N 3.22Å; L30-L35 VanDerWaalsContact O-N 3.08Å; L30-I43 HydrophobicContact CB-CD1 3.79Å; L30-I43 HydrophobicContact CB-CG2 4.45Å; L30-I43 HydrophobicContact CD1-CG2 4.41Å; L30-W46 HydrophobicContact CD1-CB 3.72Å; L30-L47 HydrophobicContact CD1-CD2 4Å; L30-L47 HydrophobicContact CD1-CG 4.24Å; L30-F74 HydrophobicContact CD2-CE1 4.4Å; L30-F74 HydrophobicContact CD2-CZ 3.84Å; L30-I109 HydrophobicContact CD2-CD1 3.91Å; L30-I109 HydrophobicContact CD2-CG1 3.99Å |
| 31 | E | 96.8 | Very high | 97.4 | Very high | 41 Ų | 41 | 54 Ų | 54 | 19% | 0.192 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61 | -46.8 | 175.2 | -178.5 | 169.6 | -139.6 | 0 | 0 | 111.7 | A27 A33 G34 I43 M146 | A27-E31 WeakPolarHBondContact O-CB 3.27Å; A27-E31 PolarHBondContact O-N 2.93Å; E31-A33 PolarHBondContact O-N 3.46Å; E31-G34 PolarHBondContact O-N 3.3Å; E31-I43 HydrophobicContact CB-CD1 4.22Å; E31-I43 HydrophobicContact CB-CG1 4.3Å; E31-M146 HydrophobicContact CB-CE 3.74Å; E31-M146 HydrophobicContact CG-CE 4.37Å; E31-M146 WeakPolarHBondContact OE2-CE 3.49Å |
| 32 | A | 96.4 | Very high | 97.4 | Very high | 89 Ų | 89 | 56 Ų | 56 | 74% | 0.736 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62.1 | -31.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | K28 K29 G34 | K28-A32 VanDerWaalsContact O-CB 3.25Å; K28-A32 WeakPolarHBondContact O-CB 3.07Å; K28-A32 PolarHBondContact O-N 3.3Å; K29-A32 PolarHBondContact O-N 3.23Å; A32-G34 PolarHBondContact O-N 3.25Å |
| 33 | A | 97.3 | Very high | 97.4 | Very high | 22 Ų | 22 | 49.5 Ų | 49.5 | 18% | 0.182 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 1.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | K29 L30 E31 L35 L106 I109 | K29-A33 WeakPolarHBondContact O-CB 3.42Å; K29-A33 PolarHBondContact O-N 2.69Å; L30-A33 CarbonylContact O-C 3.57Å; L30-A33 PolarHBondContact O-N 2.88Å; E31-A33 PolarHBondContact O-N 3.46Å; A33-L35 HydrophobicContact CB-CD1 3.94Å; A33-L35 WeakPolarHBondContact O-CD1 3.39Å; A33-L106 HydrophobicContact CB-CD1 4.42Å; A33-I109 HydrophobicContact CB-CD1 3.95Å; A33-I109 HydrophobicContact CB-CG2 3.95Å |
| 34 | G | 96.2 | Very high | 97.4 | Very high | 44 Ų | 44 | 45.9 Ų | 45.9 | 45% | 0.454 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 30.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L30 E31 A32 | L30-G34 PolarHBondContact O-N 3.26Å; E31-G34 PolarHBondContact O-N 3.3Å; A32-G34 PolarHBondContact O-N 3.25Å |
| 35 | L | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -84.4 | -17.8 | -179.8 | -88.1 | 58.2 | 0 | 0 | 0 | 113 | L30 A33 G37 F38 I43 W46 I109 K113 | L30-L35 HydrophobicContact CB-CB 4.32Å; L30-L35 HydrophobicContact CB-CD2 4.16Å; L30-L35 HydrophobicContact CD2-CD2 3.5Å; L30-L35 VanDerWaalsContact CD2-CD2 3.5Å; L30-L35 HydrophobicContact CG-CD2 4.36Å; L30-L35 WeakPolarHBondContact O-CB 3.43Å; L30-L35 PolarHBondContact O-N 3.22Å; L30-L35 VanDerWaalsContact O-N 3.08Å; A33-L35 HydrophobicContact CB-CD1 3.94Å; A33-L35 WeakPolarHBondContact O-CD1 3.39Å; L35-G37 PolarHBondContact O-N 2.87Å; L35-G37 VanDerWaalsContact O-N 3.12Å; L35-F38 WeakPolarHBondContact O-CB 3.38Å; L35-F38 PolarHBondContact O-N 3.25Å; L35-F38 VanDerWaalsContact O-N 3.09Å; L35-I43 HydrophobicContact CB-CD1 3.91Å; L35-W46 HydrophobicContact CB-CD2 4.46Å; L35-W46 HydrophobicContact CB-CG 4.35Å; L35-W46 HydrophobicContact CD2-CD2 3.63Å; L35-W46 HydrophobicContact CD2-CE3 3.92Å; L35-W46 HydrophobicContact CD2-CG 4.02Å; L35-W46 HydrophobicContact CD2-CH2 4.33Å; L35-W46 HydrophobicContact CD2-CZ2 4.08Å; L35-W46 HydrophobicContact CD2-CZ3 4.27Å; L35-W46 HydrophobicContact CG-CD2 4.19Å; L35-W46 HydrophobicContact CG-CZ2 3.97Å; L35-W46 PolarHBondContact O-NE1 2.86Å; L35-I109 HydrophobicContact CD1-CG2 3.41Å; L35-I109 VanDerWaalsContact CD1-CG2 3.41Å; L35-I109 HydrophobicContact CD2-CG1 4.38Å; L35-I109 HydrophobicContact CD2-CG2 3.89Å; L35-I109 HydrophobicContact CG-CG2 4.27Å; L35-K113 HydrophobicContact CD1-CD 3.89Å; L35-K113 HydrophobicContact CD1-CG 4.3Å | ||
| 36 | N | 96.4 | Very high | 97.5 | Very high | 86 Ų | 86 | 42 Ų | 42 | 46% | 0.46 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | 111.7 | 178.2 | -163.6 | 12.8 | 0 | 0 | 0 | 110.5 | F38 I43 | N36-F38 VanDerWaalsContact C-N 3.31Å; N36-I43 HydrophobicContact CB-CD1 3.81Å; N36-I43 HydrophobicContact CB-CG1 3.66Å |
| 37 | G | 96.7 | Very high | 97.5 | Very high | 48 Ų | 48 | 42 Ų | 42 | 50% | 0.495 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 3.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L35 K39 G40 Y41 | L35-G37 PolarHBondContact O-N 2.87Å; L35-G37 VanDerWaalsContact O-N 3.12Å; G37-K39 PolarHBondContact O-N 3.41Å; G37-G40 PolarHBondContact O-N 2.98Å; G37-G40 VanDerWaalsContact O-N 3.11Å; G37-Y41 CarbonylContact C-O 3.46Å; G37-Y41 WeakPolarHBondContact CA-O 3.26Å; G37-Y41 PolarHBondContact N-O 3.26Å |
| 38 | F | 98.1 | Very high | 97.6 | Very high | 44 Ų | 44 | 42 Ų | 42 | 19% | 0.193 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -63.1 | 120.1 | 176.6 | -179.7 | -100.1 | 0 | 0 | 0 | 109.7 | L35 N36 G40 Y41 W46 K113 V116 S117 | L35-F38 WeakPolarHBondContact O-CB 3.38Å; L35-F38 PolarHBondContact O-N 3.25Å; L35-F38 VanDerWaalsContact O-N 3.09Å; N36-F38 VanDerWaalsContact C-N 3.31Å; F38-G40 PolarHBondContact O-N 3.32Å; F38-Y41 PolarHBondContact O-N 3.23Å; F38-W46 HydrophobicContact CD1-CZ2 4.04Å; F38-K113 HydrophobicContact CD1-CG 4.07Å; F38-K113 HydrophobicContact CE1-CB 3.79Å; F38-K113 HydrophobicContact CE1-CG 3.75Å; F38-K113 VanDerWaalsContact CE2-CE 3.41Å; F38-K113 HydrophobicContact CE2-CG 4.45Å; F38-K113 HydrophobicContact CZ-CB 3.79Å; F38-K113 HydrophobicContact CZ-CD 4.47Å; F38-K113 HydrophobicContact CZ-CG 3.96Å; F38-V116 HydrophobicContact CD1-CG1 4.01Å; F38-V116 HydrophobicContact CE1-CB 4.15Å; F38-V116 HydrophobicContact CE1-CG1 3.92Å; F38-S117 WeakPolarHBondContact CZ-OG 3.46Å |
| 39 | K | 97.5 | Very high | 97.6 | Very high | 133 Ų | 133 | 37.5 Ų | 37.5 | 58% | 0.578 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 22.9 | -174.4 | -62.4 | -70.2 | -170.5 | 164.5 | 0 | 114.3 | G37 Y41 V116 | G37-K39 PolarHBondContact O-N 3.41Å; K39-Y41 HydrophobicContact CB-CD2 4.1Å; K39-Y41 HydrophobicContact CB-CE2 4.23Å; K39-V116 HydrophobicContact CB-CG1 3.87Å; K39-V116 HydrophobicContact CG-CG1 4.06Å |
| 40 | G | 96.8 | Very high | 97.7 | Very high | 66 Ų | 66 | 33.6 Ų | 33.6 | 68% | 0.68 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 91.8 | -5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | G37 F38 | G37-G40 PolarHBondContact O-N 2.98Å; G37-G40 VanDerWaalsContact O-N 3.11Å; F38-G40 PolarHBondContact O-N 3.32Å |
| 41 | Y | 98 | Very high | 97.7 | Very high | 45 Ų | 45 | 37.2 Ų | 37.2 | 18% | 0.176 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -87.4 | 140.3 | 179.3 | -59.4 | -74.2 | 0 | 0 | 0 | 112 | G37 F38 K39 D45 V116 M122 W128 | G37-Y41 CarbonylContact C-O 3.46Å; G37-Y41 WeakPolarHBondContact CA-O 3.26Å; G37-Y41 PolarHBondContact N-O 3.26Å; F38-Y41 PolarHBondContact O-N 3.23Å; K39-Y41 HydrophobicContact CB-CD2 4.1Å; K39-Y41 HydrophobicContact CB-CE2 4.23Å; Y41-D45 HydrophobicContact CD1-CB 4.31Å; Y41-V116 HydrophobicContact CD2-CG1 3.62Å; Y41-V116 HydrophobicContact CE2-CG1 3.6Å; Y41-M122 HydrophobicContact CD1-CB 4.23Å; Y41-M122 HydrophobicContact CD1-CE 4.33Å; Y41-M122 HydrophobicContact CD1-CG 3.89Å; Y41-M122 HydrophobicContact CD1-SD 3.37Å; Y41-M122 WeakPolarHBondContact CD1-SD 3.26Å; Y41-M122 HydrophobicContact CD2-CE 4.4Å; Y41-M122 HydrophobicContact CD2-CG 3.99Å; Y41-M122 HydrophobicContact CD2-SD 4.17Å; Y41-M122 HydrophobicContact CE1-CB 3.69Å; Y41-M122 HydrophobicContact CE1-CG 3.82Å; Y41-M122 HydrophobicContact CE1-SD 3.84Å; Y41-M122 HydrophobicContact CE2-CB 4.27Å; Y41-M122 HydrophobicContact CE2-CG 3.93Å; Y41-M122 HydrophobicContact CG-CE 3.91Å; Y41-M122 HydrophobicContact CG-CG 3.96Å; Y41-M122 HydrophobicContact CG-SD 3.54Å; Y41-M122 VanDerWaalsContact CG-SD 3.54Å; Y41-M122 PolarHBondContact OH-N 2.85Å; Y41-M122 VanDerWaalsContact OH-N 3.07Å; Y41-W128 HydrophobicContact CD1-CZ2 4.04Å; Y41-W128 AromaticContact CE1-CH2 3.77Å; Y41-W128 HydrophobicContact CE1-CH2 3.77Å; Y41-W128 AromaticContact CE1-CZ2 3.65Å; Y41-W128 HydrophobicContact CE1-CZ2 3.65Å |
| 42 | T | 97.5 | Very high | 97.8 | Very high | 61 Ų | 61 | 40.5 Ų | 40.5 | 37% | 0.374 | 25% | 0.25 | S | S | . | . | trans | -87.1 | 167.8 | 178.1 | 72.8 | 0 | 0 | 0 | 0 | 111.1 | G44 D45 W46 | T42-G44 PolarHBondContact O-N 2.91Å; T42-G44 PolarHBondContact OG1-N 2.86Å; T42-D45 WeakPolarHBondContact CA-OD2 3.27Å; T42-D45 WeakPolarHBondContact CB-OD2 3.4Å; T42-D45 PolarHBondContact N-OD2 2.98Å; T42-D45 WeakPolarHBondContact O-CB 3.49Å; T42-D45 PolarHBondContact O-N 3.38Å; T42-D45 VanDerWaalsContact O-N 3.14Å; T42-D45 PolarHBondContact OG1-N 2.83Å; T42-D45 PolarHBondContact OG1-OD2 3.11Å; T42-W46 PolarHBondContact O-N 2.95Å | ||
| 43 | I | 98.2 | Very high | 97.9 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.1 | -29.9 | 169.9 | -59.2 | -59.5 | 0 | 0 | 0 | 111.9 | A27 L30 E31 L35 N36 D45 W46 L47 L141 M146 | A27-I43 HydrophobicContact CB-CG2 4.11Å; L30-I43 HydrophobicContact CB-CD1 3.79Å; L30-I43 HydrophobicContact CB-CG2 4.45Å; L30-I43 HydrophobicContact CD1-CG2 4.41Å; E31-I43 HydrophobicContact CB-CD1 4.22Å; E31-I43 HydrophobicContact CB-CG1 4.3Å; L35-I43 HydrophobicContact CB-CD1 3.91Å; N36-I43 HydrophobicContact CB-CD1 3.81Å; N36-I43 HydrophobicContact CB-CG1 3.66Å; I43-D45 VanDerWaalsContact C-N 3.31Å; I43-D45 PolarHBondContact O-N 3.39Å; I43-W46 PolarHBondContact O-N 3.28Å; I43-L47 HydrophobicContact CG2-CD1 3.87Å; I43-L47 HydrophobicContact CG2-CG 4.08Å; I43-L47 WeakPolarHBondContact O-CB 3.38Å; I43-L47 WeakPolarHBondContact O-CG 3.11Å; I43-L47 PolarHBondContact O-N 2.97Å; I43-L141 HydrophobicContact CB-CD1 4.46Å; I43-L141 HydrophobicContact CB-CD2 4.14Å; I43-L141 HydrophobicContact CG2-CD2 3.73Å; I43-M146 HydrophobicContact CG2-CE 4.48Å |
| 44 | G | 98.2 | Very high | 98 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.4 | -39.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T42 L47 C48 | T42-G44 PolarHBondContact O-N 2.91Å; T42-G44 PolarHBondContact OG1-N 2.86Å; G44-L47 PolarHBondContact O-N 2.74Å; G44-C48 VanDerWaalsContact O-CB 3.25Å; G44-C48 WeakPolarHBondContact O-CB 3.36Å; G44-C48 PolarHBondContact O-N 3.4Å |
| 45 | D | 98.6 | Very high | 98.1 | Very high | 22 Ų | 22 | 36.8 Ų | 36.8 | 12% | 0.118 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.2 | -47.6 | 175.3 | -63.1 | -85.4 | 0 | 0 | 0 | 111.8 | Y41 T42 I43 C48 M49 M122 L137 | Y41-D45 HydrophobicContact CD1-CB 4.31Å; T42-D45 WeakPolarHBondContact CA-OD2 3.27Å; T42-D45 WeakPolarHBondContact CB-OD2 3.4Å; T42-D45 PolarHBondContact N-OD2 2.98Å; T42-D45 WeakPolarHBondContact O-CB 3.49Å; T42-D45 PolarHBondContact O-N 3.38Å; T42-D45 VanDerWaalsContact O-N 3.14Å; T42-D45 PolarHBondContact OG1-N 2.83Å; T42-D45 PolarHBondContact OG1-OD2 3.11Å; I43-D45 VanDerWaalsContact C-N 3.31Å; I43-D45 PolarHBondContact O-N 3.39Å; D45-C48 PolarHBondContact O-N 3.08Å; D45-M49 WeakPolarHBondContact O-CB 3.41Å; D45-M49 PolarHBondContact O-N 3.31Å; D45-M122 HydrophobicContact CB-CE 3.94Å; D45-M122 HydrophobicContact CB-SD 3.61Å; D45-L137 HydrophobicContact CB-CD1 4.22Å; D45-L137 WeakPolarHBondContact OD1-CD1 3.14Å |
| 46 | W | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.5 | -40.7 | 178.5 | -67.6 | 102.7 | 0 | 0 | 0 | 112.8 | L30 L35 F38 T42 I43 M49 A50 F74 A112 V116 M122 | L30-W46 HydrophobicContact CD1-CB 3.72Å; L35-W46 HydrophobicContact CB-CD2 4.46Å; L35-W46 HydrophobicContact CB-CG 4.35Å; L35-W46 HydrophobicContact CD2-CD2 3.63Å; L35-W46 HydrophobicContact CD2-CE3 3.92Å; L35-W46 HydrophobicContact CD2-CG 4.02Å; L35-W46 HydrophobicContact CD2-CH2 4.33Å; L35-W46 HydrophobicContact CD2-CZ2 4.08Å; L35-W46 HydrophobicContact CD2-CZ3 4.27Å; L35-W46 HydrophobicContact CG-CD2 4.19Å; L35-W46 HydrophobicContact CG-CZ2 3.97Å; L35-W46 PolarHBondContact O-NE1 2.86Å; F38-W46 HydrophobicContact CD1-CZ2 4.04Å; T42-W46 PolarHBondContact O-N 2.95Å; I43-W46 PolarHBondContact O-N 3.28Å; W46-M49 HydrophobicContact CE3-CE 3.81Å; W46-M49 HydrophobicContact CZ3-CE 4.01Å; W46-A50 VanDerWaalsContact O-CB 3.31Å; W46-A50 WeakPolarHBondContact O-CB 3.42Å; W46-A50 PolarHBondContact O-N 3.49Å; W46-F74 HydrophobicContact CE3-CE1 4.39Å; W46-A112 HydrophobicContact CH2-CB 4.39Å; W46-A112 HydrophobicContact CZ3-CB 3.87Å; W46-V116 HydrophobicContact CH2-CB 4.09Å; W46-V116 HydrophobicContact CH2-CG2 3.44Å; W46-V116 VanDerWaalsContact CH2-CG2 3.44Å; W46-V116 HydrophobicContact CZ2-CB 4.46Å; W46-V116 HydrophobicContact CZ2-CG1 4.43Å; W46-V116 HydrophobicContact CZ2-CG2 4.03Å; W46-V116 HydrophobicContact CZ3-CG2 4.09Å; W46-M122 HydrophobicContact CB-CE 4.41Å; W46-M122 HydrophobicContact CD2-CE 3.17Å; W46-M122 HydrophobicContact CE3-CE 3.56Å; W46-M122 HydrophobicContact CG-CE 3.58Å; W46-M122 HydrophobicContact CH2-CE 4.04Å; W46-M122 HydrophobicContact CZ2-CE 3.69Å; W46-M122 HydrophobicContact CZ3-CE 3.96Å |
| 47 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68 | -41.7 | 176.4 | -71.9 | 172.5 | 0 | 0 | 0 | 111.7 | R23 L26 A27 L30 I43 G44 H51 F56 W140 L141 | R23-L47 HydrophobicContact CG-CD1 4.38Å; L26-L47 HydrophobicContact CB-CD2 3.88Å; L26-L47 HydrophobicContact CD2-CD2 3.73Å; L26-L47 HydrophobicContact CG-CD2 3.72Å; A27-L47 HydrophobicContact CB-CD1 3.77Å; A27-L47 HydrophobicContact CB-CD2 4.38Å; L30-L47 HydrophobicContact CD1-CD2 4Å; L30-L47 HydrophobicContact CD1-CG 4.24Å; I43-L47 HydrophobicContact CG2-CD1 3.87Å; I43-L47 HydrophobicContact CG2-CG 4.08Å; I43-L47 WeakPolarHBondContact O-CB 3.38Å; I43-L47 WeakPolarHBondContact O-CG 3.11Å; I43-L47 PolarHBondContact O-N 2.97Å; G44-L47 PolarHBondContact O-N 2.74Å; L47-H51 VanDerWaalsContact O-CB 3.27Å; L47-H51 WeakPolarHBondContact O-CB 3.34Å; L47-H51 PolarHBondContact O-N 3.19Å; L47-F56 HydrophobicContact CB-CZ 4.5Å; L47-F56 HydrophobicContact CD2-CE1 4.27Å; L47-F56 HydrophobicContact CD2-CZ 4.21Å; L47-F56 WeakPolarHBondContact O-CE1 3.41Å; L47-F56 WeakPolarHBondContact O-CZ 3.18Å; L47-W140 HydrophobicContact CB-CB 4.14Å; L47-W140 HydrophobicContact CB-CD2 4.07Å; L47-W140 HydrophobicContact CB-CE3 3.87Å; L47-W140 HydrophobicContact CB-CG 4.21Å; L47-W140 HydrophobicContact CD1-CB 3.92Å; L47-L141 HydrophobicContact CD1-CD2 3.95Å |
| 48 | C | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.014 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.7 | -49.5 | 177 | -173.9 | 0 | 0 | 0 | 0 | 110.8 | G44 D45 H51 Y52 C132 L137 W140 | G44-C48 VanDerWaalsContact O-CB 3.25Å; G44-C48 WeakPolarHBondContact O-CB 3.36Å; G44-C48 PolarHBondContact O-N 3.4Å; D45-C48 PolarHBondContact O-N 3.08Å; C48-H51 PolarHBondContact O-N 3.45Å; C48-Y52 WeakPolarHBondContact O-CD2 3.33Å; C48-Y52 PolarHBondContact O-N 3.27Å; C48-C132 HydrophobicContact CB-CB 3.78Å; C48-C132 WeakPolarHBondContact CB-SG 3.47Å; C48-C132 VanDerWaalsContact SG-CA 3.52Å; C48-C132 WeakPolarHBondContact SG-CB 3.29Å; C48-C132 CovalentContact SG-SG 2.03Å; C48-C132 PolarHBondContact SG-SG 2.87Å; C48-L137 HydrophobicContact CB-CD1 4.04Å; C48-L137 HydrophobicContact CB-CD2 4.1Å; C48-W140 HydrophobicContact CB-CZ2 4.16Å |
| 49 | M | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.5 | -56.5 | 176.2 | 179.4 | -91.4 | -76.9 | 0 | 0 | 111.2 | D45 W46 H51 Y52 E53 F74 W125 W128 | D45-M49 WeakPolarHBondContact O-CB 3.41Å; D45-M49 PolarHBondContact O-N 3.31Å; W46-M49 HydrophobicContact CE3-CE 3.81Å; W46-M49 HydrophobicContact CZ3-CE 4.01Å; M49-H51 PolarHBondContact O-N 3.14Å; M49-H51 VanDerWaalsContact O-N 3.15Å; M49-Y52 PolarHBondContact O-N 3.42Å; M49-Y52 VanDerWaalsContact O-N 3.13Å; M49-E53 HydrophobicContact CG-CG 4.01Å; M49-E53 WeakPolarHBondContact O-CB 3.4Å; M49-E53 VanDerWaalsContact O-CG 3.29Å; M49-E53 WeakPolarHBondContact O-CG 3.44Å; M49-E53 PolarHBondContact O-N 3.28Å; M49-E53 HydrophobicContact SD-CG 3.76Å; M49-F74 HydrophobicContact CE-CB 4.28Å; M49-F74 HydrophobicContact CE-CD1 3.5Å; M49-F74 VanDerWaalsContact CE-CD1 3.5Å; M49-F74 HydrophobicContact CE-CE1 4.18Å; M49-F74 HydrophobicContact CE-CG 4.18Å; M49-F74 HydrophobicContact SD-CB 4.34Å; M49-F74 HydrophobicContact SD-CD1 3.89Å; M49-W125 HydrophobicContact CE-CD2 4.17Å; M49-W125 HydrophobicContact CE-CH2 4.19Å; M49-W125 HydrophobicContact CE-CZ2 3.86Å; M49-W125 HydrophobicContact CG-CB 4.04Å; M49-W125 HydrophobicContact CG-CD2 4.11Å; M49-W125 HydrophobicContact CG-CG 3.82Å; M49-W125 HydrophobicContact SD-CD2 4.22Å; M49-W125 HydrophobicContact SD-CG 4.17Å; M49-W128 HydrophobicContact CB-CB 4.12Å; M49-W128 HydrophobicContact CB-CG 4.34Å; M49-W128 HydrophobicContact CG-CB 4.15Å |
| 50 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.7 | -29.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L26 W46 S54 G55 F56 I73 F74 | L26-A50 HydrophobicContact CD2-CB 4.28Å; W46-A50 VanDerWaalsContact O-CB 3.31Å; W46-A50 WeakPolarHBondContact O-CB 3.42Å; W46-A50 PolarHBondContact O-N 3.49Å; A50-S54 PolarHBondContact O-N 2.94Å; A50-S54 VanDerWaalsContact O-N 3.09Å; A50-S54 PolarHBondContact O-OG 2.69Å; A50-G55 PolarHBondContact O-N 3.33Å; A50-F56 HydrophobicContact CB-CD1 3.85Å; A50-F56 HydrophobicContact CB-CE1 3.89Å; A50-F56 PolarHBondContact O-N 3.38Å; A50-I73 HydrophobicContact CB-CG1 4.21Å; A50-F74 HydrophobicContact CB-CD1 4.08Å; A50-F74 HydrophobicContact CB-CE1 4.04Å |
| 51 | H | 98.7 | Very high | 98.4 | Very high | 76 Ų | 76 | 30 Ų | 30 | 35% | 0.352 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -66.5 | -48.1 | 175.5 | 177.9 | 71.5 | 0 | 0 | 0 | 112 | L47 C48 M49 G55 F56 W140 | L47-H51 VanDerWaalsContact O-CB 3.27Å; L47-H51 WeakPolarHBondContact O-CB 3.34Å; L47-H51 PolarHBondContact O-N 3.19Å; C48-H51 PolarHBondContact O-N 3.45Å; M49-H51 PolarHBondContact O-N 3.14Å; M49-H51 VanDerWaalsContact O-N 3.15Å; H51-G55 VanDerWaalsContact O-CA 3.24Å; H51-G55 WeakPolarHBondContact O-CA 3.48Å; H51-G55 PolarHBondContact O-N 3.34Å; H51-F56 HydrophobicContact CB-CD1 4.46Å; H51-F56 HydrophobicContact CB-CE1 3.72Å; H51-F56 HydrophobicContact CB-CE2 4.39Å; H51-F56 HydrophobicContact CB-CZ 3.68Å; H51-F56 VanDerWaalsContact N-CE1 3.31Å; H51-W140 HydrophobicContact CB-CH2 3.47Å; H51-W140 VanDerWaalsContact CB-CH2 3.47Å; H51-W140 HydrophobicContact CB-CZ2 4.24Å; H51-W140 HydrophobicContact CB-CZ3 3.95Å; H51-W140 AromaticContact CD2-CH2 3.62Å; H51-W140 AromaticContact CG-CH2 3.42Å; H51-W140 VanDerWaalsContact CG-CH2 3.42Å |
| 52 | Y | 98.5 | Very high | 98.4 | Very high | 110 Ų | 110 | 31 Ų | 31 | 43% | 0.431 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -76.7 | -26.2 | -178.4 | -76.6 | -76.7 | 0 | 0 | 0 | 112.9 | C48 M49 H131 | C48-Y52 WeakPolarHBondContact O-CD2 3.33Å; C48-Y52 PolarHBondContact O-N 3.27Å; M49-Y52 PolarHBondContact O-N 3.42Å; M49-Y52 VanDerWaalsContact O-N 3.13Å; Y52-H131 HydrophobicContact CD1-CB 4.23Å; Y52-H131 AromaticContact CD1-CD2 3.5Å; Y52-H131 VanDerWaalsContact CD1-CD2 3.5Å; Y52-H131 WeakPolarHBondContact CD1-CD2 3.49Å; Y52-H131 AromaticContact CD1-CG 3.75Å; Y52-H131 AromaticContact CD1-NE2 3.92Å; Y52-H131 HydrophobicContact CD2-CB 3.53Å; Y52-H131 AromaticContact CD2-CG 3.99Å; Y52-H131 HydrophobicContact CE1-CB 4.03Å; Y52-H131 AromaticContact CE1-CD2 3.78Å; Y52-H131 AromaticContact CE1-CG 3.59Å; Y52-H131 AromaticContact CE1-ND1 3.75Å; Y52-H131 HydrophobicContact CE2-CB 3.32Å; Y52-H131 AromaticContact CE2-CG 3.86Å; Y52-H131 HydrophobicContact CG-CB 4Å; Y52-H131 AromaticContact CG-CD2 3.72Å; Y52-H131 AromaticContact CG-CG 3.95Å; Y52-H131 AromaticContact CZ-CG 3.64Å; Y52-H131 AromaticContact CZ-ND1 3.89Å |
| 53 | E | 98.5 | Very high | 98.4 | Very high | 28 Ų | 28 | 34.5 Ų | 34.5 | 13% | 0.131 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -74.4 | -43.8 | 175.5 | -72.1 | -56.8 | 156 | 0 | 0 | 113 | M49 F60 Q75 S127 | M49-E53 HydrophobicContact CG-CG 4.01Å; M49-E53 WeakPolarHBondContact O-CB 3.4Å; M49-E53 VanDerWaalsContact O-CG 3.29Å; M49-E53 WeakPolarHBondContact O-CG 3.44Å; M49-E53 PolarHBondContact O-N 3.28Å; M49-E53 HydrophobicContact SD-CG 3.76Å; E53-F60 WeakPolarHBondContact O-CD1 3.24Å; E53-F60 VanDerWaalsContact O-CE1 3.29Å; E53-F60 WeakPolarHBondContact O-CE1 3.33Å; E53-Q75 HydrophobicContact CB-CB 4.16Å; E53-Q75 HydrophobicContact CB-CG 3.73Å; E53-Q75 HydrophobicContact CG-CB 4.4Å; E53-Q75 HydrophobicContact CG-CG 4.46Å; E53-Q75 WeakPolarHBondContact O-CG 3.21Å; E53-Q75 WeakPolarHBondContact OE2-CB 3.47Å; E53-Q75 WeakPolarHBondContact OE2-CG 3.29Å; E53-S127 WeakPolarHBondContact CG-OG 3.4Å; E53-S127 VanDerWaalsContact OE1-CB 3.24Å; E53-S127 WeakPolarHBondContact OE1-CB 3.48Å; E53-S127 PolarHBondContact OE1-OG 2.62Å |
| 54 | S | 98.5 | Very high | 98.3 | Very high | 13 Ų | 13 | 36.2 Ų | 36.2 | 9% | 0.091 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -140.9 | -2.1 | -169.4 | 65.2 | 0 | 0 | 0 | 0 | 115.5 | A50 F56 D57 I73 | A50-S54 PolarHBondContact O-N 2.94Å; A50-S54 VanDerWaalsContact O-N 3.09Å; A50-S54 PolarHBondContact O-OG 2.69Å; S54-F56 PolarHBondContact O-N 3.11Å; S54-F56 PolarHBondContact OG-N 3.27Å; S54-D57 WeakPolarHBondContact O-CB 3.31Å; S54-D57 PolarHBondContact O-N 3.22Å; S54-D57 VanDerWaalsContact O-N 3.11Å; S54-I73 WeakPolarHBondContact OG-CA 3.34Å; S54-I73 PolarHBondContact OG-O 2.8Å |
| 55 | G | 98.4 | Very high | 98.2 | Very high | 37 Ų | 37 | 43 Ų | 43 | 38% | 0.381 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61 | 23.7 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A50 H51 D57 | A50-G55 PolarHBondContact O-N 3.33Å; H51-G55 VanDerWaalsContact O-CA 3.24Å; H51-G55 WeakPolarHBondContact O-CA 3.48Å; H51-G55 PolarHBondContact O-N 3.34Å; G55-D57 VanDerWaalsContact C-N 3.31Å |
| 56 | F | 98.6 | Very high | 98.1 | Very high | 13 Ų | 13 | 47.6 Ų | 47.6 | 6% | 0.057 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 16.2 | -172.6 | -48.2 | -43.2 | 0 | 0 | 0 | 116.1 | I20 Y21 R23 L26 L47 A50 H51 S54 I73 W140 | I20-F56 WeakPolarHBondContact CA-O 3.05Å; Y21-F56 PolarHBondContact N-O 2.94Å; Y21-F56 VanDerWaalsContact O-CB 3.27Å; Y21-F56 WeakPolarHBondContact O-CB 3.38Å; Y21-F56 WeakPolarHBondContact O-CD2 3.35Å; R23-F56 HydrophobicContact CB-CE2 4.01Å; R23-F56 HydrophobicContact CG-CE2 4.41Å; L26-F56 HydrophobicContact CD2-CB 4.36Å; L26-F56 HydrophobicContact CD2-CD1 3.28Å; L26-F56 HydrophobicContact CD2-CE1 3.56Å; L26-F56 HydrophobicContact CD2-CG 3.9Å; L26-F56 HydrophobicContact CD2-CZ 4.38Å; L47-F56 HydrophobicContact CB-CZ 4.5Å; L47-F56 HydrophobicContact CD2-CE1 4.27Å; L47-F56 HydrophobicContact CD2-CZ 4.21Å; L47-F56 WeakPolarHBondContact O-CE1 3.41Å; L47-F56 WeakPolarHBondContact O-CZ 3.18Å; A50-F56 HydrophobicContact CB-CD1 3.85Å; A50-F56 HydrophobicContact CB-CE1 3.89Å; A50-F56 PolarHBondContact O-N 3.38Å; H51-F56 HydrophobicContact CB-CD1 4.46Å; H51-F56 HydrophobicContact CB-CE1 3.72Å; H51-F56 HydrophobicContact CB-CE2 4.39Å; H51-F56 HydrophobicContact CB-CZ 3.68Å; H51-F56 VanDerWaalsContact N-CE1 3.31Å; S54-F56 PolarHBondContact O-N 3.11Å; S54-F56 PolarHBondContact OG-N 3.27Å; F56-I73 HydrophobicContact CB-CD1 4.4Å; F56-W140 HydrophobicContact CE2-CZ3 4.27Å; F56-W140 HydrophobicContact CZ-CE3 4.33Å; F56-W140 AromaticContact CZ-CZ3 3.75Å; F56-W140 HydrophobicContact CZ-CZ3 3.75Å |
| 57 | D | 98.4 | Very high | 97.9 | Very high | 36 Ų | 36 | 49.5 Ų | 49.5 | 19% | 0.193 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -86.6 | 116.1 | 176.8 | -170.1 | -13 | 0 | 0 | 0 | 111.4 | I20 S54 G55 S59 F60 | I20-D57 HydrophobicContact CG1-CB 3.93Å; S54-D57 WeakPolarHBondContact O-CB 3.31Å; S54-D57 PolarHBondContact O-N 3.22Å; S54-D57 VanDerWaalsContact O-N 3.11Å; G55-D57 VanDerWaalsContact C-N 3.31Å; D57-S59 VanDerWaalsContact CG-OG 3.29Å; D57-S59 PolarHBondContact O-N 2.86Å; D57-S59 WeakPolarHBondContact OD1-CB 3.25Å; D57-S59 PolarHBondContact OD1-N 3.02Å; D57-S59 PolarHBondContact OD1-OG 3.43Å; D57-S59 PolarHBondContact OD2-OG 2.99Å; D57-F60 HydrophobicContact CB-CB 4.3Å; D57-F60 PolarHBondContact O-N 3.46Å |
| 58 | T | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -18.1 | 176.3 | 66.7 | 0 | 0 | 0 | 0 | 113.2 | K19 Y21 F60 G72 I73 L101 N102 I105 | K19-T58 PolarHBondContact N-OG1 2.83Å; K19-T58 WeakPolarHBondContact O-CG2 3.49Å; K19-T58 PolarHBondContact O-N 3.16Å; K19-T58 PolarHBondContact O-OG1 3Å; Y21-T58 HydrophobicContact CD2-CG2 3.97Å; Y21-T58 HydrophobicContact CE2-CG2 3.77Å; T58-F60 VanDerWaalsContact C-N 3.32Å; T58-G72 WeakPolarHBondContact O-CA 3.27Å; T58-I73 HydrophobicContact CG2-CB 4.3Å; T58-I73 HydrophobicContact CG2-CD1 4.46Å; T58-L101 VanDerWaalsContact O-CA 3.29Å; T58-L101 WeakPolarHBondContact O-CA 3.26Å; T58-N102 PolarHBondContact OG1-O 2.79Å; T58-I105 HydrophobicContact CG2-CG2 3.49Å; T58-I105 VanDerWaalsContact CG2-CG2 3.49Å |
| 59 | S | 97.4 | Very high | 97.8 | Very high | 54 Ų | 54 | 49.8 Ų | 49.8 | 38% | 0.378 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -2.4 | 178.3 | 62 | 0 | 0 | 0 | 0 | 114.3 | D57 V61 | D57-S59 VanDerWaalsContact CG-OG 3.29Å; D57-S59 PolarHBondContact O-N 2.86Å; D57-S59 WeakPolarHBondContact OD1-CB 3.25Å; D57-S59 PolarHBondContact OD1-N 3.02Å; D57-S59 PolarHBondContact OD1-OG 3.43Å; D57-S59 PolarHBondContact OD2-OG 2.99Å; S59-V61 PolarHBondContact O-N 3.09Å |
| 60 | F | 98.1 | Very high | 97.8 | Very high | 87 Ų | 87 | 51.7 Ų | 51.7 | 38% | 0.382 | 29% | 0.288 | S | S | . | . | trans | -69.2 | 126.6 | -172.1 | -167.3 | -126.1 | 0 | 0 | 0 | 111.4 | E53 D57 T58 G72 Q75 | E53-F60 WeakPolarHBondContact O-CD1 3.24Å; E53-F60 VanDerWaalsContact O-CE1 3.29Å; E53-F60 WeakPolarHBondContact O-CE1 3.33Å; D57-F60 HydrophobicContact CB-CB 4.3Å; D57-F60 PolarHBondContact O-N 3.46Å; T58-F60 VanDerWaalsContact C-N 3.32Å; F60-G72 PolarHBondContact O-N 3.23Å; F60-Q75 HydrophobicContact CD1-CG 4.34Å; F60-Q75 PolarHBondContact O-NE2 2.94Å | ||
| 61 | V | 98.3 | Very high | 97.8 | Very high | 43 Ų | 43 | 53 Ų | 53 | 26% | 0.261 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 125.6 | 176.4 | 179.3 | 0 | 0 | 0 | 0 | 108.5 | S59 E70 Y71 L101 | S59-V61 PolarHBondContact O-N 3.09Å; V61-E70 VanDerWaalsContact CA-O 3.3Å; V61-E70 WeakPolarHBondContact CA-O 3.37Å; V61-Y71 HydrophobicContact CG1-CD1 4.35Å; V61-Y71 HydrophobicContact CG1-CE1 4.15Å; V61-Y71 HydrophobicContact CG2-CD1 3.92Å; V61-Y71 HydrophobicContact CG2-CE1 4.26Å; V61-L101 HydrophobicContact CG2-CD1 3.95Å; V61-L101 HydrophobicContact CG2-CD2 3.61Å; V61-L101 HydrophobicContact CG2-CG 4.45Å |
| 62 | N | 98.1 | Very high | 97.8 | Very high | 67 Ų | 67 | 49.4 Ų | 49.4 | 36% | 0.358 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 138.7 | 172.5 | -174.6 | 28.5 | 0 | 0 | 0 | 110.1 | S69 E70 | N62-S69 CarbonylContact O-C 3.48Å; N62-S69 WeakPolarHBondContact O-CA 3.01Å; N62-S69 VanDerWaalsContact O-CB 3.31Å; N62-S69 WeakPolarHBondContact O-CB 2.99Å; N62-E70 HydrophobicContact CB-CB 4.32Å; N62-E70 PolarHBondContact N-O 3.3Å; N62-E70 PolarHBondContact ND2-OE2 3.23Å; N62-E70 PolarHBondContact O-N 3.15Å |
| 63 | H | 97.9 | Very high | 97.8 | Very high | 135 Ų | 135 | 44.1 Ų | 44.1 | 63% | 0.625 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 124.2 | -178.3 | -64 | -58.6 | 0 | 0 | 0 | 110.1 | S69 | H63-S69 PolarHBondContact ND1-OG 3.39Å |
| 64 | N | 97 | Very high | 97.8 | Very high | 37 Ų | 37 | 42.9 Ų | 42.9 | 20% | 0.198 | 25% | 0.25 | C | S | . | . | trans | -92.2 | 150.4 | -176.8 | -69.4 | -33.8 | 0 | 0 | 0 | 111.7 | D66 G67 S68 E70 N77 | N64-D66 VanDerWaalsContact CB-OD1 3.25Å; N64-D66 WeakPolarHBondContact CB-OD1 3.5Å; N64-D66 PolarHBondContact O-N 2.87Å; N64-D66 VanDerWaalsContact O-N 3.15Å; N64-G67 PolarHBondContact O-N 2.98Å; N64-S68 WeakPolarHBondContact CB-OG 3.48Å; N64-S68 PolarHBondContact N-O 3.18Å; N64-S68 PolarHBondContact ND2-OG 2.63Å; N64-E70 PolarHBondContact ND2-OE1 2.03Å; N64-N77 PolarHBondContact ND2-ND2 3.36Å; N64-N77 VanDerWaalsContact ND2-ND2 3.15Å | ||
| 65 | P | 96.1 | Very high | 97.8 | Very high | 143 Ų | 143 | 42.6 Ų | 42.6 | 93% | 0.929 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -22.9 | 179.8 | -25.6 | 35.1 | 0 | 0 | 0 | 115 | G67 | P65-G67 PolarHBondContact O-N 3.43Š|
| 66 | D | 94.7 | Very high | 97.8 | Very high | 118 Ų | 118 | 41 Ų | 41 | 63% | 0.631 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -1.5 | 176.9 | 69.3 | -7.3 | 0 | 0 | 0 | 113.4 | N64 S68 | N64-D66 VanDerWaalsContact CB-OD1 3.25Å; N64-D66 WeakPolarHBondContact CB-OD1 3.5Å; N64-D66 PolarHBondContact O-N 2.87Å; N64-D66 VanDerWaalsContact O-N 3.15Å; D66-S68 VanDerWaalsContact C-N 3.33Å; D66-S68 VanDerWaalsContact OD1-CB 3.28Å; D66-S68 WeakPolarHBondContact OD1-CB 3.37Å; D66-S68 PolarHBondContact OD1-N 3.29Å; D66-S68 PolarHBondContact OD1-OG 2.86Å; D66-S68 PolarHBondContact OD2-OG 3.13Å |
| 67 | G | 95 | Very high | 97.8 | Very high | 40 Ų | 40 | 41.5 Ų | 41.5 | 41% | 0.412 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 86 | -0.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | N64 P65 T87 | N64-G67 PolarHBondContact O-N 2.98Å; P65-G67 PolarHBondContact O-N 3.43Å; G67-T87 PolarHBondContact O-OG1 2.99Å |
| 68 | S | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -73.5 | 167.7 | 164.8 | 72.7 | 0 | 0 | 0 | 0 | 111 | N64 D66 N77 | N64-S68 WeakPolarHBondContact CB-OG 3.48Å; N64-S68 PolarHBondContact N-O 3.18Å; N64-S68 PolarHBondContact ND2-OG 2.63Å; D66-S68 VanDerWaalsContact C-N 3.33Å; D66-S68 VanDerWaalsContact OD1-CB 3.28Å; D66-S68 WeakPolarHBondContact OD1-CB 3.37Å; D66-S68 PolarHBondContact OD1-N 3.29Å; D66-S68 PolarHBondContact OD1-OG 2.86Å; D66-S68 PolarHBondContact OD2-OG 3.13Å; S68-N77 PolarHBondContact OG-ND2 3.2Å | ||
| 69 | S | 98.6 | Very high | 97.8 | Very high | 8 Ų | 8 | 40.8 Ų | 40.8 | 6% | 0.056 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 150.9 | 173.3 | -60.2 | 0 | 0 | 0 | 0 | 110 | N62 H63 Y71 N77 S78 | N62-S69 CarbonylContact O-C 3.48Å; N62-S69 WeakPolarHBondContact O-CA 3.01Å; N62-S69 VanDerWaalsContact O-CB 3.31Å; N62-S69 WeakPolarHBondContact O-CB 2.99Å; H63-S69 PolarHBondContact ND1-OG 3.39Å; S69-Y71 VanDerWaalsContact CB-CE2 3.43Å; S69-Y71 VanDerWaalsContact O-CD2 3.31Å; S69-Y71 WeakPolarHBondContact O-CD2 3.07Å; S69-Y71 VanDerWaalsContact O-CE2 3.25Å; S69-Y71 WeakPolarHBondContact O-CE2 3.31Å; S69-N77 CarbonylContact O-C 3.58Å; S69-N77 WeakPolarHBondContact O-CA 3.46Å; S69-S78 PolarHBondContact N-OG 3.12Å; S69-S78 PolarHBondContact O-N 3.09Å; S69-S78 PolarHBondContact O-OG 3.11Å |
| 70 | E | 98.5 | Very high | 97.8 | Very high | 41 Ų | 41 | 45.2 Ų | 45.2 | 19% | 0.192 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 134.3 | 178.5 | -75.2 | 155.3 | -169.8 | 0 | 0 | 109.5 | V61 N62 N64 Q75 N77 | V61-E70 VanDerWaalsContact CA-O 3.3Å; V61-E70 WeakPolarHBondContact CA-O 3.37Å; N62-E70 HydrophobicContact CB-CB 4.32Å; N62-E70 PolarHBondContact N-O 3.3Å; N62-E70 PolarHBondContact ND2-OE2 3.23Å; N62-E70 PolarHBondContact O-N 3.15Å; N64-E70 PolarHBondContact ND2-OE1 2.03Å; E70-Q75 HydrophobicContact CB-CB 3.89Å; E70-Q75 HydrophobicContact CB-CG 4.46Å; E70-Q75 HydrophobicContact CG-CB 4.46Å; E70-N77 HydrophobicContact CG-CB 3.91Å; E70-N77 PolarHBondContact OE1-ND2 3.37Å |
| 71 | Y | 98.6 | Very high | 97.8 | Very high | 27 Ų | 27 | 43.2 Ų | 43.2 | 11% | 0.106 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 138.8 | -168 | -66.1 | -100.8 | 0 | 0 | 0 | 112.3 | V61 S69 Q75 L76 N84 C97 L101 | V61-Y71 HydrophobicContact CG1-CD1 4.35Å; V61-Y71 HydrophobicContact CG1-CE1 4.15Å; V61-Y71 HydrophobicContact CG2-CD1 3.92Å; V61-Y71 HydrophobicContact CG2-CE1 4.26Å; S69-Y71 VanDerWaalsContact CB-CE2 3.43Å; S69-Y71 VanDerWaalsContact O-CD2 3.31Å; S69-Y71 WeakPolarHBondContact O-CD2 3.07Å; S69-Y71 VanDerWaalsContact O-CE2 3.25Å; S69-Y71 WeakPolarHBondContact O-CE2 3.31Å; Y71-Q75 WeakPolarHBondContact O-CA 3.49Å; Y71-Q75 PolarHBondContact O-N 3.39Å; Y71-L76 PolarHBondContact N-O 3.43Å; Y71-L76 VanDerWaalsContact N-O 3.07Å; Y71-L76 PolarHBondContact O-N 3Å; Y71-N84 HydrophobicContact CE2-CB 4.42Å; Y71-N84 WeakPolarHBondContact OH-CB 3.46Å; Y71-N84 PolarHBondContact OH-ND2 3.05Å; Y71-N84 VanDerWaalsContact OH-ND2 3.08Å; Y71-C97 HydrophobicContact CD1-CB 3.76Å; Y71-C97 HydrophobicContact CD2-CB 3.67Å; Y71-C97 HydrophobicContact CE1-CB 3.82Å; Y71-C97 HydrophobicContact CE2-CB 3.72Å; Y71-C97 HydrophobicContact CG-CB 3.7Å; Y71-L101 HydrophobicContact CD1-CD1 4.14Å; Y71-L101 HydrophobicContact CD1-CD2 4.09Å; Y71-L101 HydrophobicContact CD1-CG 4.26Å |
| 72 | G | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | -166.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | T58 F60 F74 Q75 L100 | T58-G72 WeakPolarHBondContact O-CA 3.27Å; F60-G72 PolarHBondContact O-N 3.23Å; G72-F74 PolarHBondContact O-N 3.11Å; G72-F74 VanDerWaalsContact O-N 3.12Å; G72-Q75 PolarHBondContact O-N 3.15Å; G72-Q75 PolarHBondContact O-NE2 2.94Å; G72-L100 WeakPolarHBondContact CA-O 3.36Å |
| 73 | I | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -25.3 | -167.9 | -166 | 166.1 | 0 | 0 | 0 | 113.9 | Y21 L26 A50 S54 F56 T58 I105 D108 | Y21-I73 HydrophobicContact CD2-CD1 4.11Å; L26-I73 HydrophobicContact CD1-CD1 3.87Å; L26-I73 HydrophobicContact CD2-CD1 3.84Å; A50-I73 HydrophobicContact CB-CG1 4.21Å; S54-I73 WeakPolarHBondContact OG-CA 3.34Å; S54-I73 PolarHBondContact OG-O 2.8Å; F56-I73 HydrophobicContact CB-CD1 4.4Å; T58-I73 HydrophobicContact CG2-CB 4.3Å; T58-I73 HydrophobicContact CG2-CD1 4.46Å; I73-I105 HydrophobicContact CG2-CG2 4.11Å; I73-D108 HydrophobicContact CG2-CB 4.43Å |
| 74 | F | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | 10.4 | 178.2 | -53 | -57.1 | 0 | 0 | 0 | 113.4 | L30 W46 M49 A50 G72 L76 D108 I109 A112 W125 | L30-F74 HydrophobicContact CD2-CE1 4.4Å; L30-F74 HydrophobicContact CD2-CZ 3.84Å; W46-F74 HydrophobicContact CE3-CE1 4.39Å; M49-F74 HydrophobicContact CE-CB 4.28Å; M49-F74 HydrophobicContact CE-CD1 3.5Å; M49-F74 VanDerWaalsContact CE-CD1 3.5Å; M49-F74 HydrophobicContact CE-CE1 4.18Å; M49-F74 HydrophobicContact CE-CG 4.18Å; M49-F74 HydrophobicContact SD-CB 4.34Å; M49-F74 HydrophobicContact SD-CD1 3.89Å; A50-F74 HydrophobicContact CB-CD1 4.08Å; A50-F74 HydrophobicContact CB-CE1 4.04Å; G72-F74 PolarHBondContact O-N 3.11Å; G72-F74 VanDerWaalsContact O-N 3.12Å; F74-L76 HydrophobicContact CB-CG 4.28Å; F74-L76 PolarHBondContact O-N 2.67Å; F74-D108 HydrophobicContact CD2-CB 3.86Å; F74-D108 HydrophobicContact CE2-CB 3.9Å; F74-I109 HydrophobicContact CE2-CB 4.46Å; F74-I109 HydrophobicContact CE2-CG1 3.77Å; F74-I109 HydrophobicContact CZ-CG1 3.92Å; F74-A112 HydrophobicContact CB-CB 4.36Å; F74-A112 HydrophobicContact CD2-CB 3.7Å; F74-A112 HydrophobicContact CE2-CB 4.15Å; F74-A112 HydrophobicContact CG-CB 4.05Å; F74-W125 HydrophobicContact CB-CZ2 4.48Å; F74-W125 PolarHBondContact O-NE1 2.95Å |
| 75 | Q | 98.7 | Very high | 97.8 | Very high | 8 Ų | 8 | 38.9 Ų | 38.9 | 4% | 0.037 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 54.2 | 177.1 | -69.7 | -60.4 | -80 | 0 | 0 | 113.1 | E53 F60 E70 Y71 G72 N77 | E53-Q75 HydrophobicContact CB-CB 4.16Å; E53-Q75 HydrophobicContact CB-CG 3.73Å; E53-Q75 HydrophobicContact CG-CB 4.4Å; E53-Q75 HydrophobicContact CG-CG 4.46Å; E53-Q75 WeakPolarHBondContact O-CG 3.21Å; E53-Q75 WeakPolarHBondContact OE2-CB 3.47Å; E53-Q75 WeakPolarHBondContact OE2-CG 3.29Å; F60-Q75 HydrophobicContact CD1-CG 4.34Å; F60-Q75 PolarHBondContact O-NE2 2.94Å; E70-Q75 HydrophobicContact CB-CB 3.89Å; E70-Q75 HydrophobicContact CB-CG 4.46Å; E70-Q75 HydrophobicContact CG-CB 4.46Å; Y71-Q75 WeakPolarHBondContact O-CA 3.49Å; Y71-Q75 PolarHBondContact O-N 3.39Å; G72-Q75 PolarHBondContact O-N 3.15Å; G72-Q75 PolarHBondContact O-NE2 2.94Å; Q75-N77 PolarHBondContact O-N 3.43Å |
| 76 | L | 98.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 118.7 | -178.3 | -64.5 | 162.6 | 0 | 0 | 0 | 109.9 | Y71 F74 W81 L100 C111 V115 W125 | Y71-L76 PolarHBondContact N-O 3.43Å; Y71-L76 VanDerWaalsContact N-O 3.07Å; Y71-L76 PolarHBondContact O-N 3Å; F74-L76 HydrophobicContact CB-CG 4.28Å; F74-L76 PolarHBondContact O-N 2.67Å; L76-W81 HydrophobicContact CB-CB 4.28Å; L76-W81 HydrophobicContact CD2-CG 4.47Å; L76-L100 HydrophobicContact CB-CD1 3.81Å; L76-L100 HydrophobicContact CD1-CD1 3.81Å; L76-L100 HydrophobicContact CD1-CD2 3.65Å; L76-L100 HydrophobicContact CD1-CG 4.38Å; L76-L100 HydrophobicContact CG-CD1 4.43Å; L76-C111 HydrophobicContact CD1-CB 3.75Å; L76-V115 HydrophobicContact CD2-CG2 3.7Å; L76-W125 HydrophobicContact CD2-CZ2 4.4Å |
| 77 | N | 98.2 | Very high | 97.6 | Very high | 24 Ų | 24 | 33 Ų | 33 | 13% | 0.128 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 133.7 | -172.2 | -172.3 | -61.6 | 0 | 0 | 0 | 113.3 | N64 S68 S69 E70 Q75 A79 W80 W81 | N64-N77 PolarHBondContact ND2-ND2 3.36Å; N64-N77 VanDerWaalsContact ND2-ND2 3.15Å; S68-N77 PolarHBondContact OG-ND2 3.2Å; S69-N77 CarbonylContact O-C 3.58Å; S69-N77 WeakPolarHBondContact O-CA 3.46Å; E70-N77 HydrophobicContact CG-CB 3.91Å; E70-N77 PolarHBondContact OE1-ND2 3.37Å; Q75-N77 PolarHBondContact O-N 3.43Å; N77-A79 VanDerWaalsContact C-N 3.3Å; N77-A79 PolarHBondContact O-N 3.18Å; N77-A79 WeakPolarHBondContact OD1-CB 3.42Å; N77-A79 PolarHBondContact OD1-N 2.96Å; N77-W80 PolarHBondContact O-N 2.99Å; N77-W81 PolarHBondContact O-N 2.8Å |
| 78 | S | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -17.1 | -178.9 | 63.4 | 0 | 0 | 0 | 0 | 115.4 | S69 W80 C82 N84 T87 S89 | S69-S78 PolarHBondContact N-OG 3.12Å; S69-S78 PolarHBondContact O-N 3.09Å; S69-S78 PolarHBondContact O-OG 3.11Å; S78-W80 PolarHBondContact O-N 3.31Å; S78-C82 CarbonylContact C-O 3.59Å; S78-C82 WeakPolarHBondContact CA-O 3.37Å; S78-N84 PolarHBondContact OG-ND2 3.07Å; S78-T87 PolarHBondContact OG-OG1 3.18Å; S78-S89 WeakPolarHBondContact O-CB 3.34Å; S78-S89 PolarHBondContact O-OG 3.05Å |
| 79 | A | 97.9 | Very high | 97.7 | Very high | 21 Ų | 21 | 38.3 Ų | 38.3 | 17% | 0.174 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -21.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | N77 S89 E90 | N77-A79 VanDerWaalsContact C-N 3.3Å; N77-A79 PolarHBondContact O-N 3.18Å; N77-A79 WeakPolarHBondContact OD1-CB 3.42Å; N77-A79 PolarHBondContact OD1-N 2.96Å; A79-S89 WeakPolarHBondContact O-CA 3.29Å; A79-E90 PolarHBondContact O-N 3.12Å |
| 80 | W | 97.9 | Very high | 97.6 | Very high | 147 Ų | 147 | 44.2 Ų | 44.2 | 56% | 0.557 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -129.2 | -47.2 | -171 | -57.8 | 100.5 | 0 | 0 | 0 | 113.9 | N77 S78 E90 N91 L92 | N77-W80 PolarHBondContact O-N 2.99Å; S78-W80 PolarHBondContact O-N 3.31Å; W80-E90 HydrophobicContact CE3-CG 4.01Å; W80-E90 HydrophobicContact CZ3-CG 4.17Å; W80-N91 PolarHBondContact O-N 2.51Å; W80-L92 WeakPolarHBondContact O-CB 3.42Å; W80-L92 WeakPolarHBondContact O-CG 3.44Å; W80-L92 PolarHBondContact O-N 3.12Å |
| 81 | W | 98.5 | Very high | 97.6 | Very high | 44 Ų | 44 | 43.9 Ų | 43.9 | 17% | 0.167 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -40.3 | -159.6 | -61.5 | 112.6 | 0 | 0 | 0 | 113.2 | L76 N77 N91 L92 C93 K114 V115 | L76-W81 HydrophobicContact CB-CB 4.28Å; L76-W81 HydrophobicContact CD2-CG 4.47Å; N77-W81 PolarHBondContact O-N 2.8Å; W81-N91 PolarHBondContact O-OD1 2.93Å; W81-L92 HydrophobicContact CE3-CB 3.8Å; W81-L92 HydrophobicContact CE3-CD1 4.03Å; W81-L92 HydrophobicContact CH2-CD1 4.01Å; W81-L92 HydrophobicContact CZ3-CB 3.92Å; W81-L92 HydrophobicContact CZ3-CD1 3.67Å; W81-L92 HydrophobicContact CZ3-CG 4.47Å; W81-C93 WeakPolarHBondContact O-CA 3.44Å; W81-C93 WeakPolarHBondContact O-CB 3.48Å; W81-C93 PolarHBondContact O-N 3.3Å; W81-K114 HydrophobicContact CZ3-CB 4.22Å; W81-V115 HydrophobicContact CD2-CG2 3.55Å; W81-V115 VanDerWaalsContact CE2-CG2 3.45Å; W81-V115 HydrophobicContact CE3-CG2 3.82Å; W81-V115 HydrophobicContact CG-CG2 4.12Å; W81-V115 HydrophobicContact CH2-CB 4.15Å; W81-V115 HydrophobicContact CH2-CG1 4.38Å; W81-V115 HydrophobicContact CH2-CG2 3.96Å; W81-V115 HydrophobicContact CZ2-CB 3.94Å; W81-V115 HydrophobicContact CZ2-CG1 3.76Å; W81-V115 HydrophobicContact CZ2-CG2 3.68Å; W81-V115 HydrophobicContact CZ3-CG2 4.01Å |
| 82 | C | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -131.6 | 165 | 179 | 63.4 | 0 | 0 | 0 | 0 | 110.4 | S78 S89 N91 M95 C97 L100 | S78-C82 CarbonylContact C-O 3.59Å; S78-C82 WeakPolarHBondContact CA-O 3.37Å; C82-S89 PolarHBondContact O-OG 3.3Å; C82-N91 WeakPolarHBondContact CA-OD1 3.35Å; C82-M95 HydrophobicContact CB-CG 3.95Å; C82-C97 HydrophobicContact CB-CB 3.93Å; C82-C97 WeakPolarHBondContact CB-SG 3.45Å; C82-C97 PolarHBondContact O-SG 3.12Å; C82-C97 WeakPolarHBondContact SG-CA 3.29Å; C82-C97 WeakPolarHBondContact SG-CB 3.42Å; C82-C97 CovalentContact SG-SG 2.04Å; C82-C97 PolarHBondContact SG-SG 3.24Å; C82-L100 HydrophobicContact CB-CD1 4.08Å |
| 83 | Y | 98.3 | Very high | 97.6 | Very high | 113 Ų | 113 | 47 Ų | 47 | 44% | 0.443 | 25% | 0.254 | S | S | . | . | B | Isolated β-bridge | trans | -107.8 | 134.2 | 177.4 | 179.5 | -117.3 | 0 | 0 | 0 | 111.8 | G85 M95 D96 C97 | Y83-G85 VanDerWaalsContact CZ-CA 3.42Å; Y83-M95 PolarHBondContact N-O 3.02Å; Y83-D96 CarbonylContact O-C 3.56Å; Y83-D96 WeakPolarHBondContact O-CA 3.41Å; Y83-C97 PolarHBondContact N-SG 3.29Å; Y83-C97 PolarHBondContact O-N 3.18Å |
| 84 | N | 97.2 | Very high | 97.6 | Very high | 29 Ų | 29 | 54.1 Ų | 54.1 | 16% | 0.155 | 29% | 0.287 | C | S | . | . | trans | -117.4 | 5 | 179.2 | 72.1 | -5.4 | 0 | 0 | 0 | 114.3 | Y71 S78 V86 T87 C97 | Y71-N84 HydrophobicContact CE2-CB 4.42Å; Y71-N84 WeakPolarHBondContact OH-CB 3.46Å; Y71-N84 PolarHBondContact OH-ND2 3.05Å; Y71-N84 VanDerWaalsContact OH-ND2 3.08Å; S78-N84 PolarHBondContact OG-ND2 3.07Å; N84-V86 PolarHBondContact O-N 2.75Å; N84-V86 PolarHBondContact OD1-N 3.33Å; N84-T87 PolarHBondContact OD1-N 2.92Å; N84-C97 HydrophobicContact CB-CB 4.13Å | ||
| 85 | G | 96.1 | Very high | 97.6 | Very high | 49 Ų | 49 | 55 Ų | 55 | 51% | 0.505 | 29% | 0.291 | S | S | . | . | S | Bend | trans | 77.9 | -4.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y83 | Y83-G85 VanDerWaalsContact CZ-CA 3.42Š|
| 86 | V | 94.5 | Very high | 97.5 | Very high | 121 Ų | 121 | 58.1 Ų | 58.1 | 73% | 0.733 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -116.2 | -51.2 | -171.6 | -179 | 0 | 0 | 0 | 0 | 111.7 | N84 | N84-V86 PolarHBondContact O-N 2.75Å; N84-V86 PolarHBondContact OD1-N 3.33Å |
| 87 | T | 93 | Very high | 97.5 | Very high | 16 Ų | 16 | 58 Ų | 58 | 10% | 0.098 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -93.2 | 138 | -177.4 | -34.5 | 0 | 0 | 0 | 0 | 109.9 | G67 S78 N84 S89 | G67-T87 PolarHBondContact O-OG1 2.99Å; S78-T87 PolarHBondContact OG-OG1 3.18Å; N84-T87 PolarHBondContact OD1-N 2.92Å; T87-S89 PolarHBondContact O-N 2.78Å |
| 88 | P | 96.5 | Very high | 97.4 | Very high | 120 Ų | 120 | 61.8 Ų | 61.8 | 78% | 0.779 | 32% | 0.324 | S | S | * | . | trans | -52.8 | 132.2 | 164.6 | -24.5 | 34.4 | 0 | 0 | 0 | 110.2 | ||||
| 89 | S | 97.7 | Very high | 97.4 | Very high | 33 Ų | 33 | 66.3 Ų | 66.3 | 23% | 0.231 | 35% | 0.346 | C | S | . | . | trans | -142.3 | 139.1 | -171.1 | -173.9 | 0 | 0 | 0 | 0 | 111.8 | S78 A79 C82 T87 N91 | S78-S89 WeakPolarHBondContact O-CB 3.34Å; S78-S89 PolarHBondContact O-OG 3.05Å; A79-S89 WeakPolarHBondContact O-CA 3.29Å; C82-S89 PolarHBondContact O-OG 3.3Å; T87-S89 PolarHBondContact O-N 2.78Å; S89-N91 VanDerWaalsContact C-N 3.26Å; S89-N91 PolarHBondContact OG-N 3.31Å | ||
| 90 | E | 97.3 | Very high | 97.4 | Very high | 132 Ų | 132 | 65.3 Ų | 65.3 | 62% | 0.617 | 34% | 0.337 | S | S | * | . | trans | -72.5 | -22.7 | 166.6 | -65.1 | -60.6 | 140.9 | 0 | 0 | 112.1 | A79 W80 L92 | A79-E90 PolarHBondContact O-N 3.12Å; W80-E90 HydrophobicContact CE3-CG 4.01Å; W80-E90 HydrophobicContact CZ3-CG 4.17Å; E90-L92 VanDerWaalsContact C-N 3.34Å; E90-L92 HydrophobicContact CB-CD2 4.18Å; E90-L92 HydrophobicContact CB-CG 4.01Å; E90-L92 PolarHBondContact O-N 2.95Å | ||
| 91 | N | 98.1 | Very high | 97.4 | Very high | 34 Ų | 34 | 59.5 Ų | 59.5 | 18% | 0.182 | 32% | 0.317 | C | S | . | . | trans | 44.2 | 54.3 | -178.8 | -169.6 | 10 | 0 | 0 | 0 | 113.3 | W80 W81 C82 S89 C93 H94 M95 | W80-N91 PolarHBondContact O-N 2.51Å; W81-N91 PolarHBondContact O-OD1 2.93Å; C82-N91 WeakPolarHBondContact CA-OD1 3.35Å; S89-N91 VanDerWaalsContact C-N 3.26Å; S89-N91 PolarHBondContact OG-N 3.31Å; N91-C93 PolarHBondContact O-N 2.92Å; N91-C93 VanDerWaalsContact O-N 3.15Å; N91-H94 PolarHBondContact O-N 3.27Å; N91-H94 PolarHBondContact O-ND1 3.29Å; N91-H94 WeakPolarHBondContact OD1-CA 3.29Å; N91-H94 PolarHBondContact OD1-N 2.96Å; N91-H94 VanDerWaalsContact OD1-N 3.12Å; N91-M95 PolarHBondContact ND2-O 3.03Å; N91-M95 PolarHBondContact OD1-N 3.4Å; N91-M95 PolarHBondContact OD1-O 3.16Å | ||
| 92 | L | 98.4 | Very high | 97.2 | Very high | 76 Ų | 76 | 58.8 Ų | 58.8 | 40% | 0.398 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -20.4 | -175 | -64.8 | 173.6 | 0 | 0 | 0 | 113.5 | W80 W81 E90 K114 | W80-L92 WeakPolarHBondContact O-CB 3.42Å; W80-L92 WeakPolarHBondContact O-CG 3.44Å; W80-L92 PolarHBondContact O-N 3.12Å; W81-L92 HydrophobicContact CE3-CB 3.8Å; W81-L92 HydrophobicContact CE3-CD1 4.03Å; W81-L92 HydrophobicContact CH2-CD1 4.01Å; W81-L92 HydrophobicContact CZ3-CB 3.92Å; W81-L92 HydrophobicContact CZ3-CD1 3.67Å; W81-L92 HydrophobicContact CZ3-CG 4.47Å; E90-L92 VanDerWaalsContact C-N 3.34Å; E90-L92 HydrophobicContact CB-CD2 4.18Å; E90-L92 HydrophobicContact CB-CG 4.01Å; E90-L92 PolarHBondContact O-N 2.95Å; L92-K114 PolarHBondContact O-NZ 3.13Å |
| 93 | C | 98.5 | Very high | 97 | Very high | 16 Ų | 16 | 63.7 Ų | 63.7 | 11% | 0.108 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -13.6 | 173.1 | -60 | 0 | 0 | 0 | 0 | 113.7 | W81 N91 M95 C111 | W81-C93 WeakPolarHBondContact O-CA 3.44Å; W81-C93 WeakPolarHBondContact O-CB 3.48Å; W81-C93 PolarHBondContact O-N 3.3Å; N91-C93 PolarHBondContact O-N 2.92Å; N91-C93 VanDerWaalsContact O-N 3.15Å; C93-M95 HydrophobicContact CB-CG 3.94Å; C93-M95 HydrophobicContact CB-SD 3.76Å; C93-C111 HydrophobicContact CB-CB 3.73Å; C93-C111 WeakPolarHBondContact CB-SG 3.24Å; C93-C111 WeakPolarHBondContact SG-CA 3.31Å; C93-C111 WeakPolarHBondContact SG-CB 3.17Å; C93-C111 CovalentContact SG-SG 2.02Å; C93-C111 PolarHBondContact SG-SG 3.35Å |
| 94 | H | 98.1 | Very high | 96.8 | Very high | 149 Ų | 149 | 63.7 Ų | 63.7 | 69% | 0.69 | 34% | 0.339 | S | S | * | . | trans | 58.7 | 49.6 | -178 | -53.7 | -45.4 | 0 | 0 | 0 | 112.9 | N91 | N91-H94 PolarHBondContact O-N 3.27Å; N91-H94 PolarHBondContact O-ND1 3.29Å; N91-H94 WeakPolarHBondContact OD1-CA 3.29Å; N91-H94 PolarHBondContact OD1-N 2.96Å; N91-H94 VanDerWaalsContact OD1-N 3.12Å | ||
| 95 | M | 98.1 | Very high | 96.8 | Very high | 19 Ų | 19 | 62.3 Ų | 62.3 | 9% | 0.094 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -143.6 | 160.7 | -176.4 | 66.7 | -170.1 | -60.8 | 0 | 0 | 112.3 | C82 Y83 N91 C93 E99 L100 D107 C111 | C82-M95 HydrophobicContact CB-CG 3.95Å; Y83-M95 PolarHBondContact N-O 3.02Å; N91-M95 PolarHBondContact ND2-O 3.03Å; N91-M95 PolarHBondContact OD1-N 3.4Å; N91-M95 PolarHBondContact OD1-O 3.16Å; C93-M95 HydrophobicContact CB-CG 3.94Å; C93-M95 HydrophobicContact CB-SD 3.76Å; M95-E99 HydrophobicContact CE-CB 3.77Å; M95-L100 HydrophobicContact CE-CD2 3.39Å; M95-L100 HydrophobicContact CE-CG 3.77Å; M95-L100 HydrophobicContact SD-CD2 3.91Å; M95-L100 HydrophobicContact SD-CG 4.39Å; M95-D107 HydrophobicContact CE-CB 4.02Å; M95-C111 HydrophobicContact SD-CB 4.1Å |
| 96 | D | 97.9 | Very high | 96.9 | Very high | 74 Ų | 74 | 64.2 Ų | 64.2 | 40% | 0.396 | 33% | 0.329 | S | S | . | . | B | Isolated β-bridge | trans | -78.5 | 136.8 | 168.4 | -166.8 | -64.1 | 0 | 0 | 0 | 109.6 | Y83 H98 E99 | Y83-D96 CarbonylContact O-C 3.56Å; Y83-D96 WeakPolarHBondContact O-CA 3.41Å; D96-H98 PolarHBondContact O-N 2.9Å; D96-H98 VanDerWaalsContact O-N 3.16Å; D96-H98 WeakPolarHBondContact OD1-CB 3.29Å; D96-H98 PolarHBondContact OD1-N 3.48Å; D96-E99 HydrophobicContact CB-CG 4.28Å; D96-E99 PolarHBondContact N-OE1 3.05Å; D96-E99 WeakPolarHBondContact O-CB 3.34Å; D96-E99 PolarHBondContact O-N 2.96Å |
| 97 | C | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -61.1 | -23.5 | 178.5 | -65.7 | 0 | 0 | 0 | 0 | 112.8 | Y71 C82 Y83 N84 E99 L100 | Y71-C97 HydrophobicContact CD1-CB 3.76Å; Y71-C97 HydrophobicContact CD2-CB 3.67Å; Y71-C97 HydrophobicContact CE1-CB 3.82Å; Y71-C97 HydrophobicContact CE2-CB 3.72Å; Y71-C97 HydrophobicContact CG-CB 3.7Å; C82-C97 HydrophobicContact CB-CB 3.93Å; C82-C97 WeakPolarHBondContact CB-SG 3.45Å; C82-C97 PolarHBondContact O-SG 3.12Å; C82-C97 WeakPolarHBondContact SG-CA 3.29Å; C82-C97 WeakPolarHBondContact SG-CB 3.42Å; C82-C97 CovalentContact SG-SG 2.04Å; C82-C97 PolarHBondContact SG-SG 3.24Å; Y83-C97 PolarHBondContact N-SG 3.29Å; Y83-C97 PolarHBondContact O-N 3.18Å; N84-C97 HydrophobicContact CB-CB 4.13Å; C97-E99 PolarHBondContact O-N 2.81Å; C97-L100 WeakPolarHBondContact O-CB 3.04Å; C97-L100 PolarHBondContact O-N 3.25Å |
| 98 | H | 96.9 | Very high | 97.3 | Very high | 105 Ų | 105 | 59.8 Ų | 59.8 | 49% | 0.486 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -66.7 | -25.6 | 175 | -168.4 | 65.2 | 0 | 0 | 0 | 112.9 | V16 D96 L100 L101 | V16-H98 WeakPolarHBondContact CG2-NE2 3.41Å; D96-H98 PolarHBondContact O-N 2.9Å; D96-H98 VanDerWaalsContact O-N 3.16Å; D96-H98 WeakPolarHBondContact OD1-CB 3.29Å; D96-H98 PolarHBondContact OD1-N 3.48Å; H98-L100 PolarHBondContact O-N 3.43Å; H98-L101 PolarHBondContact O-N 3.48Å |
| 99 | E | 96.8 | Very high | 97.4 | Very high | 95 Ų | 95 | 54 Ų | 54 | 44% | 0.444 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -62.5 | -29.8 | 175.2 | -64.8 | 178.6 | -112.1 | 0 | 0 | 110.9 | M95 D96 C97 L101 N102 | M95-E99 HydrophobicContact CE-CB 3.77Å; D96-E99 HydrophobicContact CB-CG 4.28Å; D96-E99 PolarHBondContact N-OE1 3.05Å; D96-E99 WeakPolarHBondContact O-CB 3.34Å; D96-E99 PolarHBondContact O-N 2.96Å; C97-E99 PolarHBondContact O-N 2.81Å; E99-L101 PolarHBondContact O-N 2.72Å; E99-N102 PolarHBondContact O-ND2 3.23Å |
| 100 | L | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -73.6 | -5.6 | 178.7 | -58.5 | 171.4 | 0 | 0 | 0 | 114.7 | G72 L76 C82 M95 C97 H98 D108 | G72-L100 WeakPolarHBondContact CA-O 3.36Å; L76-L100 HydrophobicContact CB-CD1 3.81Å; L76-L100 HydrophobicContact CD1-CD1 3.81Å; L76-L100 HydrophobicContact CD1-CD2 3.65Å; L76-L100 HydrophobicContact CD1-CG 4.38Å; L76-L100 HydrophobicContact CG-CD1 4.43Å; C82-L100 HydrophobicContact CB-CD1 4.08Å; M95-L100 HydrophobicContact CE-CD2 3.39Å; M95-L100 HydrophobicContact CE-CG 3.77Å; M95-L100 HydrophobicContact SD-CD2 3.91Å; M95-L100 HydrophobicContact SD-CG 4.39Å; C97-L100 WeakPolarHBondContact O-CB 3.04Å; C97-L100 PolarHBondContact O-N 3.25Å; H98-L100 PolarHBondContact O-N 3.43Å; L100-D108 HydrophobicContact CD2-CB 3.98Å |
| 101 | L | 98.1 | Very high | 97.5 | Very high | 24 Ų | 24 | 50.9 Ų | 50.9 | 13% | 0.126 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -96.1 | -0.2 | -173.3 | -59.1 | -177.9 | 0 | 0 | 0 | 114.1 | V16 T58 V61 Y71 H98 E99 | V16-L101 HydrophobicContact CG1-CB 4.36Å; T58-L101 VanDerWaalsContact O-CA 3.29Å; T58-L101 WeakPolarHBondContact O-CA 3.26Å; V61-L101 HydrophobicContact CG2-CD1 3.95Å; V61-L101 HydrophobicContact CG2-CD2 3.61Å; V61-L101 HydrophobicContact CG2-CG 4.45Å; Y71-L101 HydrophobicContact CD1-CD1 4.14Å; Y71-L101 HydrophobicContact CD1-CD2 4.09Å; Y71-L101 HydrophobicContact CD1-CG 4.26Å; H98-L101 PolarHBondContact O-N 3.48Å; E99-L101 PolarHBondContact O-N 2.72Å |
| 102 | N | 95 | Very high | 97.6 | Very high | 29 Ų | 29 | 49.3 Ų | 49.3 | 16% | 0.155 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -96.3 | 161.6 | -174.3 | 92 | 79 | 0 | 0 | 0 | 111.7 | V16 T58 E99 H104 | V16-N102 HydrophobicContact CG1-CB 3.72Å; T58-N102 PolarHBondContact OG1-O 2.79Å; E99-N102 PolarHBondContact O-ND2 3.23Å; N102-H104 PolarHBondContact O-N 2.93Å; N102-H104 WeakPolarHBondContact OD1-CA 3.37Å; N102-H104 WeakPolarHBondContact OD1-CB 3.33Å; N102-H104 PolarHBondContact OD1-CD2 3.07Å; N102-H104 VanDerWaalsContact OD1-CD2 3.26Å; N102-H104 PolarHBondContact OD1-N 3.25Å; N102-H104 PolarHBondContact OD1-O 3.12Å |
| 103 | R | 93.9 | Very high | 97.6 | Very high | 103 Ų | 103 | 47.8 Ų | 47.8 | 39% | 0.389 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -62.7 | -21 | -179.4 | 60.3 | -178.9 | -68 | -159.4 | -3.9 | 115.1 | E17 K19 Y21 | E17-R103 WeakPolarHBondContact O-CB 3.48Å; E17-R103 WeakPolarHBondContact O-CG 3.04Å; E17-R103 PolarHBondContact O-N 2.96Å; E17-R103 WeakPolarHBondContact OE2-CD 3.32Å; E17-R103 IonicContact OE2-CZ 3.74Å; E17-R103 IonicContact OE2-NE 3.83Å; E17-R103 IonicContact OE2-NH1 2.94Å; E17-R103 PolarHBondContact OE2-NH1 2.97Å; K19-R103 HydrophobicContact CB-CB 3.69Å; Y21-R103 PolarHBondContact OH-O 2.62Å |
| 104 | H | 94.2 | Very high | 97.6 | Very high | 114 Ų | 114 | 51.2 Ų | 51.2 | 53% | 0.528 | 24% | 0.242 | S | C | . | . | trans | -85.9 | 107.5 | 177 | -56.4 | -79.4 | 0 | 0 | 0 | 109 | N102 | N102-H104 PolarHBondContact O-N 2.93Å; N102-H104 WeakPolarHBondContact OD1-CA 3.37Å; N102-H104 WeakPolarHBondContact OD1-CB 3.33Å; N102-H104 PolarHBondContact OD1-CD2 3.07Å; N102-H104 VanDerWaalsContact OD1-CD2 3.26Å; N102-H104 PolarHBondContact OD1-N 3.25Å; N102-H104 PolarHBondContact OD1-O 3.12Å | ||
| 105 | I | 97.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -97.8 | 21 | -174.1 | 60.7 | 167 | 0 | 0 | 0 | 113.8 | Y21 L26 K29 T58 I73 D108 I109 | Y21-I105 HydrophobicContact CE1-CD1 4.42Å; Y21-I105 HydrophobicContact CE2-CD1 4.24Å; Y21-I105 HydrophobicContact CE2-CG1 4.42Å; Y21-I105 HydrophobicContact CE2-CG2 3.82Å; L26-I105 HydrophobicContact CD1-CD1 3.43Å; L26-I105 VanDerWaalsContact CD1-CD1 3.43Å; K29-I105 HydrophobicContact CG-CD1 4Å; K29-I105 HydrophobicContact CG-CG1 4.13Å; T58-I105 HydrophobicContact CG2-CG2 3.49Å; T58-I105 VanDerWaalsContact CG2-CG2 3.49Å; I73-I105 HydrophobicContact CG2-CG2 4.11Å; I105-D108 WeakPolarHBondContact CA-OD1 3.47Å; I105-D108 HydrophobicContact CB-CB 4.22Å; I105-I109 HydrophobicContact CD1-CD1 3.98Å; I105-I109 HydrophobicContact CG1-CD1 3.97Å; I105-I109 VanDerWaalsContact O-CB 3.31Å; I105-I109 WeakPolarHBondContact O-CB 3.17Å; I105-I109 VanDerWaalsContact O-CD1 3.29Å; I105-I109 WeakPolarHBondContact O-CD1 3.33Å; I105-I109 WeakPolarHBondContact O-CG1 3.4Å; I105-I109 PolarHBondContact O-N 3.03Å | ||
| 106 | L | 98 | Very high | 97.6 | Very high | 88 Ų | 88 | 43.5 Ų | 43.5 | 46% | 0.461 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -75.5 | -43.2 | -172.5 | -177.2 | 64.1 | 0 | 0 | 0 | 111.1 | A33 I109 M110 | A33-L106 HydrophobicContact CB-CD1 4.42Å; L106-I109 WeakPolarHBondContact O-CB 3.43Å; L106-I109 PolarHBondContact O-N 3.14Å; L106-M110 HydrophobicContact CD1-CE 4.16Å; L106-M110 VanDerWaalsContact O-CG 3.29Å; L106-M110 WeakPolarHBondContact O-CG 3.38Å; L106-M110 PolarHBondContact O-N 2.95Å |
| 107 | D | 97.6 | Very high | 97.6 | Very high | 44 Ų | 44 | 42.8 Ų | 42.8 | 24% | 0.235 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.4 | -46.7 | 168.7 | 45.9 | -39.1 | 0 | 0 | 0 | 111.6 | M95 I109 M110 C111 | M95-D107 HydrophobicContact CE-CB 4.02Å; D107-I109 VanDerWaalsContact C-N 3.31Å; D107-I109 PolarHBondContact O-N 3.13Å; D107-M110 PolarHBondContact O-N 3.3Å; D107-M110 VanDerWaalsContact O-N 3.12Å; D107-C111 PolarHBondContact O-N 3.35Å |
| 108 | D | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -54.5 | -48.7 | 172.4 | -52.1 | 44.5 | 0 | 0 | 0 | 111.1 | I73 F74 L100 I105 M110 C111 A112 | I73-D108 HydrophobicContact CG2-CB 4.43Å; F74-D108 HydrophobicContact CD2-CB 3.86Å; F74-D108 HydrophobicContact CE2-CB 3.9Å; L100-D108 HydrophobicContact CD2-CB 3.98Å; I105-D108 WeakPolarHBondContact CA-OD1 3.47Å; I105-D108 HydrophobicContact CB-CB 4.22Å; D108-M110 VanDerWaalsContact C-N 3.33Å; D108-M110 PolarHBondContact O-N 3.07Å; D108-C111 PolarHBondContact O-N 2.84Å; D108-A112 WeakPolarHBondContact O-CB 3.49Å; D108-A112 PolarHBondContact O-N 2.79Å |
| 109 | I | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.3 | -42.4 | 179 | -75.8 | 165.8 | 0 | 0 | 0 | 110.7 | K29 L30 A33 L35 F74 I105 L106 D107 C111 A112 K113 | K29-I109 HydrophobicContact CG-CD1 4.49Å; L30-I109 HydrophobicContact CD2-CD1 3.91Å; L30-I109 HydrophobicContact CD2-CG1 3.99Å; A33-I109 HydrophobicContact CB-CD1 3.95Å; A33-I109 HydrophobicContact CB-CG2 3.95Å; L35-I109 HydrophobicContact CD1-CG2 3.41Å; L35-I109 VanDerWaalsContact CD1-CG2 3.41Å; L35-I109 HydrophobicContact CD2-CG1 4.38Å; L35-I109 HydrophobicContact CD2-CG2 3.89Å; L35-I109 HydrophobicContact CG-CG2 4.27Å; F74-I109 HydrophobicContact CE2-CB 4.46Å; F74-I109 HydrophobicContact CE2-CG1 3.77Å; F74-I109 HydrophobicContact CZ-CG1 3.92Å; I105-I109 HydrophobicContact CD1-CD1 3.98Å; I105-I109 HydrophobicContact CG1-CD1 3.97Å; I105-I109 VanDerWaalsContact O-CB 3.31Å; I105-I109 WeakPolarHBondContact O-CB 3.17Å; I105-I109 VanDerWaalsContact O-CD1 3.29Å; I105-I109 WeakPolarHBondContact O-CD1 3.33Å; I105-I109 WeakPolarHBondContact O-CG1 3.4Å; I105-I109 PolarHBondContact O-N 3.03Å; L106-I109 WeakPolarHBondContact O-CB 3.43Å; L106-I109 PolarHBondContact O-N 3.14Å; D107-I109 VanDerWaalsContact C-N 3.31Å; D107-I109 PolarHBondContact O-N 3.13Å; I109-C111 VanDerWaalsContact C-N 3.34Å; I109-A112 PolarHBondContact O-N 2.99Å; I109-K113 HydrophobicContact CG2-CD 4.2Å; I109-K113 WeakPolarHBondContact O-CB 3.31Å; I109-K113 VanDerWaalsContact O-CG 3.26Å; I109-K113 WeakPolarHBondContact O-CG 3.3Å; I109-K113 PolarHBondContact O-N 3.41Å |
| 110 | M | 98.5 | Very high | 97.3 | Very high | 96 Ų | 96 | 48.2 Ų | 48.2 | 47% | 0.473 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.2 | -38.7 | 178.5 | -68.9 | -59.5 | 177.8 | 0 | 0 | 111.6 | L106 D107 D108 K113 K114 | L106-M110 HydrophobicContact CD1-CE 4.16Å; L106-M110 VanDerWaalsContact O-CG 3.29Å; L106-M110 WeakPolarHBondContact O-CG 3.38Å; L106-M110 PolarHBondContact O-N 2.95Å; D107-M110 PolarHBondContact O-N 3.3Å; D107-M110 VanDerWaalsContact O-N 3.12Å; D108-M110 VanDerWaalsContact C-N 3.33Å; D108-M110 PolarHBondContact O-N 3.07Å; M110-K113 PolarHBondContact O-N 3.42Å; M110-K113 HydrophobicContact SD-CD 4.39Å; M110-K114 PolarHBondContact O-N 2.85Å |
| 111 | C | 98.7 | Very high | 97.3 | Very high | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.02 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67 | -47.2 | 175.2 | -172.9 | 0 | 0 | 0 | 0 | 111.5 | L76 C93 M95 D107 D108 I109 K113 K114 V115 | L76-C111 HydrophobicContact CD1-CB 3.75Å; C93-C111 HydrophobicContact CB-CB 3.73Å; C93-C111 WeakPolarHBondContact CB-SG 3.24Å; C93-C111 WeakPolarHBondContact SG-CA 3.31Å; C93-C111 WeakPolarHBondContact SG-CB 3.17Å; C93-C111 CovalentContact SG-SG 2.02Å; C93-C111 PolarHBondContact SG-SG 3.35Å; M95-C111 HydrophobicContact SD-CB 4.1Å; D107-C111 PolarHBondContact O-N 3.35Å; D108-C111 PolarHBondContact O-N 2.84Å; I109-C111 VanDerWaalsContact C-N 3.34Å; C111-K113 VanDerWaalsContact C-N 3.26Å; C111-K113 PolarHBondContact O-N 3.17Å; C111-K114 WeakPolarHBondContact O-CA 3.3Å; C111-K114 VanDerWaalsContact O-CB 3.26Å; C111-K114 WeakPolarHBondContact O-CB 3.39Å; C111-K114 PolarHBondContact O-N 3.36Å; C111-V115 PolarHBondContact O-N 3.32Å; C111-V115 VanDerWaalsContact O-N 3.12Å |
| 112 | A | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60 | -34 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | W46 F74 D108 I109 K114 V115 V116 W125 | W46-A112 HydrophobicContact CH2-CB 4.39Å; W46-A112 HydrophobicContact CZ3-CB 3.87Å; F74-A112 HydrophobicContact CB-CB 4.36Å; F74-A112 HydrophobicContact CD2-CB 3.7Å; F74-A112 HydrophobicContact CE2-CB 4.15Å; F74-A112 HydrophobicContact CG-CB 4.05Å; D108-A112 WeakPolarHBondContact O-CB 3.49Å; D108-A112 PolarHBondContact O-N 2.79Å; I109-A112 PolarHBondContact O-N 2.99Å; A112-K114 VanDerWaalsContact C-N 3.31Å; A112-K114 PolarHBondContact O-N 3Å; A112-V115 WeakPolarHBondContact O-CB 3.21Å; A112-V115 PolarHBondContact O-N 3.44Å; A112-V116 PolarHBondContact O-N 2.87Å; A112-W125 HydrophobicContact CB-CH2 4.36Å; A112-W125 HydrophobicContact CB-CZ2 4.36Å |
| 113 | K | 98.7 | Very high | 97.5 | Very high | 44 Ų | 44 | 48.6 Ų | 48.6 | 19% | 0.191 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.1 | -32.2 | 170.8 | -75.8 | 172.9 | 73.7 | 172 | 0 | 113.2 | L35 F38 I109 M110 C111 S117 | L35-K113 HydrophobicContact CD1-CD 3.89Å; L35-K113 HydrophobicContact CD1-CG 4.3Å; F38-K113 HydrophobicContact CD1-CG 4.07Å; F38-K113 HydrophobicContact CE1-CB 3.79Å; F38-K113 HydrophobicContact CE1-CG 3.75Å; F38-K113 VanDerWaalsContact CE2-CE 3.41Å; F38-K113 HydrophobicContact CE2-CG 4.45Å; F38-K113 HydrophobicContact CZ-CB 3.79Å; F38-K113 HydrophobicContact CZ-CD 4.47Å; F38-K113 HydrophobicContact CZ-CG 3.96Å; I109-K113 HydrophobicContact CG2-CD 4.2Å; I109-K113 WeakPolarHBondContact O-CB 3.31Å; I109-K113 VanDerWaalsContact O-CG 3.26Å; I109-K113 WeakPolarHBondContact O-CG 3.3Å; I109-K113 PolarHBondContact O-N 3.41Å; M110-K113 PolarHBondContact O-N 3.42Å; M110-K113 HydrophobicContact SD-CD 4.39Å; C111-K113 VanDerWaalsContact C-N 3.26Å; C111-K113 PolarHBondContact O-N 3.17Å; K113-S117 WeakPolarHBondContact O-CB 3.24Å; K113-S117 PolarHBondContact O-N 3.44Å; K113-S117 PolarHBondContact O-OG 3.27Å |
| 114 | K | 98.6 | Very high | 97.7 | Very high | 89 Ų | 89 | 46 Ų | 46 | 39% | 0.387 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.9 | -44.3 | 172.1 | -69.1 | 178.1 | 168.5 | -176.7 | 0 | 110.4 | W81 L92 M110 C111 A112 V116 S117 S118 | W81-K114 HydrophobicContact CZ3-CB 4.22Å; L92-K114 PolarHBondContact O-NZ 3.13Å; M110-K114 PolarHBondContact O-N 2.85Å; C111-K114 WeakPolarHBondContact O-CA 3.3Å; C111-K114 VanDerWaalsContact O-CB 3.26Å; C111-K114 WeakPolarHBondContact O-CB 3.39Å; C111-K114 PolarHBondContact O-N 3.36Å; A112-K114 VanDerWaalsContact C-N 3.31Å; A112-K114 PolarHBondContact O-N 3Å; K114-V116 PolarHBondContact O-N 3.16Å; K114-S117 WeakPolarHBondContact O-CB 3.08Å; K114-S117 PolarHBondContact O-N 3.5Å; K114-S118 PolarHBondContact O-N 3.01Å |
| 115 | V | 98.5 | Very high | 97.9 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.1 | -52.3 | 173.9 | -171.9 | 0 | 0 | 0 | 0 | 110.8 | L76 W81 C111 A112 S117 S118 A124 W125 | L76-V115 HydrophobicContact CD2-CG2 3.7Å; W81-V115 HydrophobicContact CD2-CG2 3.55Å; W81-V115 VanDerWaalsContact CE2-CG2 3.45Å; W81-V115 HydrophobicContact CE3-CG2 3.82Å; W81-V115 HydrophobicContact CG-CG2 4.12Å; W81-V115 HydrophobicContact CH2-CB 4.15Å; W81-V115 HydrophobicContact CH2-CG1 4.38Å; W81-V115 HydrophobicContact CH2-CG2 3.96Å; W81-V115 HydrophobicContact CZ2-CB 3.94Å; W81-V115 HydrophobicContact CZ2-CG1 3.76Å; W81-V115 HydrophobicContact CZ2-CG2 3.68Å; W81-V115 HydrophobicContact CZ3-CG2 4.01Å; C111-V115 PolarHBondContact O-N 3.32Å; C111-V115 VanDerWaalsContact O-N 3.12Å; A112-V115 WeakPolarHBondContact O-CB 3.21Å; A112-V115 PolarHBondContact O-N 3.44Å; V115-S117 PolarHBondContact O-N 2.98Å; V115-S117 VanDerWaalsContact O-N 3.13Å; V115-S118 WeakPolarHBondContact O-CB 3.38Å; V115-S118 PolarHBondContact O-N 2.9Å; V115-S118 PolarHBondContact O-OG 3.15Å; V115-A124 HydrophobicContact CG1-CB 3.65Å; V115-W125 HydrophobicContact CB-CH2 3.49Å; V115-W125 VanDerWaalsContact CB-CH2 3.49Å; V115-W125 HydrophobicContact CB-CZ2 4.12Å; V115-W125 HydrophobicContact CB-CZ3 4.04Å; V115-W125 HydrophobicContact CG1-CE3 4.3Å; V115-W125 HydrophobicContact CG1-CH2 3.44Å; V115-W125 VanDerWaalsContact CG1-CH2 3.44Å; V115-W125 HydrophobicContact CG1-CZ2 3.98Å; V115-W125 HydrophobicContact CG1-CZ3 3.57Å; V115-W125 HydrophobicContact CG2-CH2 4.13Å; V115-W125 HydrophobicContact CG2-CZ2 4.31Å |
| 116 | V | 98.4 | Very high | 97.8 | Very high | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.024 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.9 | -16.8 | 179 | 172.4 | 0 | 0 | 0 | 0 | 113.2 | F38 K39 Y41 W46 A112 K114 G121 M122 W125 | F38-V116 HydrophobicContact CD1-CG1 4.01Å; F38-V116 HydrophobicContact CE1-CB 4.15Å; F38-V116 HydrophobicContact CE1-CG1 3.92Å; K39-V116 HydrophobicContact CB-CG1 3.87Å; K39-V116 HydrophobicContact CG-CG1 4.06Å; Y41-V116 HydrophobicContact CD2-CG1 3.62Å; Y41-V116 HydrophobicContact CE2-CG1 3.6Å; W46-V116 HydrophobicContact CH2-CB 4.09Å; W46-V116 HydrophobicContact CH2-CG2 3.44Å; W46-V116 VanDerWaalsContact CH2-CG2 3.44Å; W46-V116 HydrophobicContact CZ2-CB 4.46Å; W46-V116 HydrophobicContact CZ2-CG1 4.43Å; W46-V116 HydrophobicContact CZ2-CG2 4.03Å; W46-V116 HydrophobicContact CZ3-CG2 4.09Å; A112-V116 PolarHBondContact O-N 2.87Å; K114-V116 PolarHBondContact O-N 3.16Å; V116-G121 WeakPolarHBondContact O-CA 3.03Å; V116-M122 HydrophobicContact CG2-CG 3.7Å; V116-W125 HydrophobicContact CG2-CH2 3.84Å; V116-W125 HydrophobicContact CG2-CZ3 3.54Å |
| 117 | S | 98.3 | Very high | 97.7 | Very high | 59 Ų | 59 | 43.2 Ų | 43.2 | 41% | 0.413 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -7.8 | 173.6 | -60.6 | 0 | 0 | 0 | 0 | 113.5 | F38 K113 K114 V115 | F38-S117 WeakPolarHBondContact CZ-OG 3.46Å; K113-S117 WeakPolarHBondContact O-CB 3.24Å; K113-S117 PolarHBondContact O-N 3.44Å; K113-S117 PolarHBondContact O-OG 3.27Å; K114-S117 WeakPolarHBondContact O-CB 3.08Å; K114-S117 PolarHBondContact O-N 3.5Å; V115-S117 PolarHBondContact O-N 2.98Å; V115-S117 VanDerWaalsContact O-N 3.13Å |
| 118 | S | 95.8 | Very high | 97.8 | Very high | 46 Ų | 46 | 41.6 Ų | 41.6 | 32% | 0.322 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -69.8 | 169.7 | 169.1 | 77.3 | 0 | 0 | 0 | 0 | 111.2 | K114 V115 S120 G121 | K114-S118 PolarHBondContact O-N 3.01Å; V115-S118 WeakPolarHBondContact O-CB 3.38Å; V115-S118 PolarHBondContact O-N 2.9Å; V115-S118 PolarHBondContact O-OG 3.15Å; S118-S120 PolarHBondContact O-N 3.12Å; S118-G121 PolarHBondContact O-N 2.02Å; S118-G121 VanDerWaalsContact O-N 3.14Å |
| 119 | E | 94.3 | Very high | 97.7 | Very high | 205 Ų | 205 | 44.4 Ų | 44.4 | 96% | 0.958 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -30.6 | -179.5 | -62 | -172.4 | 160.9 | 0 | 0 | 112.9 | ||
| 120 | S | 95.6 | Very high | 97.7 | Very high | 63 Ų | 63 | 50.6 Ų | 50.6 | 44% | 0.441 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -19.3 | -178.8 | -56.5 | 0 | 0 | 0 | 0 | 113.8 | S118 M122 S123 | S118-S120 PolarHBondContact O-N 3.12Å; S120-M122 PolarHBondContact O-N 3.44Å; S120-S123 WeakPolarHBondContact O-CB 3.44Å; S120-S123 PolarHBondContact O-N 2.85Å; S120-S123 PolarHBondContact O-OG 2.89Å |
| 121 | G | 97.6 | Very high | 97.7 | Very high | 8 Ų | 8 | 49.8 Ų | 49.8 | 8% | 0.082 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | 56 | -136.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V116 S118 S123 | V116-G121 WeakPolarHBondContact O-CA 3.03Å; S118-G121 PolarHBondContact O-N 2.02Å; S118-G121 VanDerWaalsContact O-N 3.14Å; G121-S123 PolarHBondContact O-N 3.49Å |
| 122 | M | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -73.4 | -10.1 | 173.3 | -76.5 | -171.8 | 169.6 | 0 | 0 | 114.4 | Y41 D45 W46 V116 S120 A124 W125 W128 | Y41-M122 HydrophobicContact CD1-CB 4.23Å; Y41-M122 HydrophobicContact CD1-CE 4.33Å; Y41-M122 HydrophobicContact CD1-CG 3.89Å; Y41-M122 HydrophobicContact CD1-SD 3.37Å; Y41-M122 WeakPolarHBondContact CD1-SD 3.26Å; Y41-M122 HydrophobicContact CD2-CE 4.4Å; Y41-M122 HydrophobicContact CD2-CG 3.99Å; Y41-M122 HydrophobicContact CD2-SD 4.17Å; Y41-M122 HydrophobicContact CE1-CB 3.69Å; Y41-M122 HydrophobicContact CE1-CG 3.82Å; Y41-M122 HydrophobicContact CE1-SD 3.84Å; Y41-M122 HydrophobicContact CE2-CB 4.27Å; Y41-M122 HydrophobicContact CE2-CG 3.93Å; Y41-M122 HydrophobicContact CG-CE 3.91Å; Y41-M122 HydrophobicContact CG-CG 3.96Å; Y41-M122 HydrophobicContact CG-SD 3.54Å; Y41-M122 VanDerWaalsContact CG-SD 3.54Å; Y41-M122 PolarHBondContact OH-N 2.85Å; Y41-M122 VanDerWaalsContact OH-N 3.07Å; D45-M122 HydrophobicContact CB-CE 3.94Å; D45-M122 HydrophobicContact CB-SD 3.61Å; W46-M122 HydrophobicContact CB-CE 4.41Å; W46-M122 HydrophobicContact CD2-CE 3.17Å; W46-M122 HydrophobicContact CE3-CE 3.56Å; W46-M122 HydrophobicContact CG-CE 3.58Å; W46-M122 HydrophobicContact CH2-CE 4.04Å; W46-M122 HydrophobicContact CZ2-CE 3.69Å; W46-M122 HydrophobicContact CZ3-CE 3.96Å; V116-M122 HydrophobicContact CG2-CG 3.7Å; S120-M122 PolarHBondContact O-N 3.44Å; M122-A124 PolarHBondContact O-N 2.88Å; M122-A124 VanDerWaalsContact O-N 3.14Å; M122-W125 HydrophobicContact CB-CE3 4.47Å; M122-W125 HydrophobicContact CG-CZ3 4.4Å; M122-W125 PolarHBondContact O-N 3.26Å; M122-W125 VanDerWaalsContact O-N 3.13Å; M122-W128 HydrophobicContact CB-CD2 3.68Å; M122-W128 HydrophobicContact CB-CE3 3.84Å; M122-W128 HydrophobicContact CB-CG 4.18Å; M122-W128 HydrophobicContact CB-CH2 4.18Å; M122-W128 HydrophobicContact CB-CZ2 4.07Å; M122-W128 HydrophobicContact CB-CZ3 4.09Å; M122-W128 HydrophobicContact SD-CD2 4.46Å; M122-W128 HydrophobicContact SD-CZ2 4.3Å |
| 123 | S | 98.1 | Very high | 97.6 | Very high | 52 Ų | 52 | 57.2 Ų | 57.2 | 36% | 0.364 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -70.6 | -5 | 174.5 | 73.7 | 0 | 0 | 0 | 0 | 113.4 | S120 G121 W125 N129 | S120-S123 WeakPolarHBondContact O-CB 3.44Å; S120-S123 PolarHBondContact O-N 2.85Å; S120-S123 PolarHBondContact O-OG 2.89Å; G121-S123 PolarHBondContact O-N 3.49Å; S123-W125 PolarHBondContact O-N 2.04Å; S123-N129 VanDerWaalsContact CA-OD1 3.24Å; S123-N129 WeakPolarHBondContact CA-OD1 3.04Å; S123-N129 WeakPolarHBondContact CB-OD1 3.07Å; S123-N129 PolarHBondContact O-ND2 3.48Å |
| 124 | A | 97.8 | Very high | 97.5 | Very high | 48 Ų | 48 | 58.7 Ų | 58.7 | 40% | 0.397 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -64.6 | -18.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | V115 M122 | V115-A124 HydrophobicContact CG1-CB 3.65Å; M122-A124 PolarHBondContact O-N 2.88Å; M122-A124 VanDerWaalsContact O-N 3.14Å |
| 125 | W | 98.3 | Very high | 97.5 | Very high | 13 Ų | 13 | 62 Ų | 62 | 5% | 0.049 | 34% | 0.34 | C | S | . | . | trans | -102.5 | 112.1 | 174.1 | -69.1 | -88.7 | 0 | 0 | 0 | 110.2 | M49 F74 L76 A112 V115 V116 M122 S123 S127 W128 N129 | M49-W125 HydrophobicContact CE-CD2 4.17Å; M49-W125 HydrophobicContact CE-CH2 4.19Å; M49-W125 HydrophobicContact CE-CZ2 3.86Å; M49-W125 HydrophobicContact CG-CB 4.04Å; M49-W125 HydrophobicContact CG-CD2 4.11Å; M49-W125 HydrophobicContact CG-CG 3.82Å; M49-W125 HydrophobicContact SD-CD2 4.22Å; M49-W125 HydrophobicContact SD-CG 4.17Å; F74-W125 HydrophobicContact CB-CZ2 4.48Å; F74-W125 PolarHBondContact O-NE1 2.95Å; L76-W125 HydrophobicContact CD2-CZ2 4.4Å; A112-W125 HydrophobicContact CB-CH2 4.36Å; A112-W125 HydrophobicContact CB-CZ2 4.36Å; V115-W125 HydrophobicContact CB-CH2 3.49Å; V115-W125 VanDerWaalsContact CB-CH2 3.49Å; V115-W125 HydrophobicContact CB-CZ2 4.12Å; V115-W125 HydrophobicContact CB-CZ3 4.04Å; V115-W125 HydrophobicContact CG1-CE3 4.3Å; V115-W125 HydrophobicContact CG1-CH2 3.44Å; V115-W125 VanDerWaalsContact CG1-CH2 3.44Å; V115-W125 HydrophobicContact CG1-CZ2 3.98Å; V115-W125 HydrophobicContact CG1-CZ3 3.57Å; V115-W125 HydrophobicContact CG2-CH2 4.13Å; V115-W125 HydrophobicContact CG2-CZ2 4.31Å; V116-W125 HydrophobicContact CG2-CH2 3.84Å; V116-W125 HydrophobicContact CG2-CZ3 3.54Å; M122-W125 HydrophobicContact CB-CE3 4.47Å; M122-W125 HydrophobicContact CG-CZ3 4.4Å; M122-W125 PolarHBondContact O-N 3.26Å; M122-W125 VanDerWaalsContact O-N 3.13Å; S123-W125 PolarHBondContact O-N 2.04Å; W125-S127 PolarHBondContact O-N 3.46Å; W125-W128 HydrophobicContact CB-CB 4.03Å; W125-W128 PolarHBondContact O-N 2.94Å; W125-W128 VanDerWaalsContact O-N 3.12Å; W125-N129 PolarHBondContact O-N 3.13Å; W125-N129 PolarHBondContact O-ND2 3.18Å | ||
| 126 | D | 97 | Very high | 97.3 | Very high | 116 Ų | 116 | 68.1 Ų | 68.1 | 62% | 0.62 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -60.8 | -32.5 | 179 | -78.2 | -20 | 0 | 0 | 0 | 112.2 | N129 Q130 | D126-N129 PolarHBondContact O-N 3.06Å; D126-Q130 VanDerWaalsContact O-CG 3.3Å; D126-Q130 WeakPolarHBondContact O-CG 3.33Å; D126-Q130 PolarHBondContact O-N 3.14Å; D126-Q130 VanDerWaalsContact O-N 3.13Å; D126-Q130 PolarHBondContact O-NE2 3.08Å |
| 127 | S | 95.6 | Very high | 97.3 | Very high | 15 Ų | 15 | 68.7 Ų | 68.7 | 11% | 0.105 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.8 | -39.3 | 176.6 | 77.6 | 0 | 0 | 0 | 0 | 112.1 | E53 W125 Q130 H131 | E53-S127 WeakPolarHBondContact CG-OG 3.4Å; E53-S127 VanDerWaalsContact OE1-CB 3.24Å; E53-S127 WeakPolarHBondContact OE1-CB 3.48Å; E53-S127 PolarHBondContact OE1-OG 2.62Å; W125-S127 PolarHBondContact O-N 3.46Å; S127-Q130 PolarHBondContact O-N 2.93Å; S127-H131 WeakPolarHBondContact O-CB 3.18Å; S127-H131 PolarHBondContact O-CD2 3.36Å; S127-H131 VanDerWaalsContact O-CD2 3.27Å; S127-H131 PolarHBondContact O-N 3.43Å |
| 128 | W | 98.5 | Very high | 97.1 | Very high | 10 Ų | 10 | 69.3 Ų | 69.3 | 4% | 0.038 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -67 | -41.6 | 177.2 | -179.6 | 89.2 | 0 | 0 | 0 | 111.1 | Y41 M49 M122 W125 Q130 C132 Y133 | Y41-W128 HydrophobicContact CD1-CZ2 4.04Å; Y41-W128 AromaticContact CE1-CH2 3.77Å; Y41-W128 HydrophobicContact CE1-CH2 3.77Å; Y41-W128 AromaticContact CE1-CZ2 3.65Å; Y41-W128 HydrophobicContact CE1-CZ2 3.65Å; M49-W128 HydrophobicContact CB-CB 4.12Å; M49-W128 HydrophobicContact CB-CG 4.34Å; M49-W128 HydrophobicContact CG-CB 4.15Å; M122-W128 HydrophobicContact CB-CD2 3.68Å; M122-W128 HydrophobicContact CB-CE3 3.84Å; M122-W128 HydrophobicContact CB-CG 4.18Å; M122-W128 HydrophobicContact CB-CH2 4.18Å; M122-W128 HydrophobicContact CB-CZ2 4.07Å; M122-W128 HydrophobicContact CB-CZ3 4.09Å; M122-W128 HydrophobicContact SD-CD2 4.46Å; M122-W128 HydrophobicContact SD-CZ2 4.3Å; W125-W128 HydrophobicContact CB-CB 4.03Å; W125-W128 PolarHBondContact O-N 2.94Å; W125-W128 VanDerWaalsContact O-N 3.12Å; W128-Q130 VanDerWaalsContact C-N 3.26Å; W128-Q130 PolarHBondContact O-N 3.23Å; W128-C132 HydrophobicContact CB-CB 4.39Å; W128-C132 HydrophobicContact CD2-CB 4.32Å; W128-C132 HydrophobicContact CG-CB 3.77Å; W128-C132 WeakPolarHBondContact O-CA 3.49Å; W128-C132 VanDerWaalsContact O-CB 3.29Å; W128-C132 WeakPolarHBondContact O-CB 3.39Å; W128-C132 PolarHBondContact O-N 2.97Å; W128-Y133 AromaticContact CH2-CD2 3.36Å; W128-Y133 HydrophobicContact CH2-CD2 3.36Å; W128-Y133 HydrophobicContact CH2-CE2 4.25Å; W128-Y133 HydrophobicContact CH2-CG 4.05Å; W128-Y133 HydrophobicContact CZ2-CD2 4.15Å; W128-Y133 AromaticContact CZ3-CD2 3.76Å; W128-Y133 HydrophobicContact CZ3-CD2 3.76Å; W128-Y133 HydrophobicContact CZ3-CG 4.06Å; W128-Y133 PolarHBondContact O-N 2.81Å |
| 129 | N | 98.3 | Very high | 97 | Very high | 59 Ų | 59 | 72.8 Ų | 72.8 | 32% | 0.316 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58 | -40.5 | 174.6 | -69.9 | -37.7 | 0 | 0 | 0 | 112 | S123 W125 D126 | S123-N129 VanDerWaalsContact CA-OD1 3.24Å; S123-N129 WeakPolarHBondContact CA-OD1 3.04Å; S123-N129 WeakPolarHBondContact CB-OD1 3.07Å; S123-N129 PolarHBondContact O-ND2 3.48Å; W125-N129 PolarHBondContact O-N 3.13Å; W125-N129 PolarHBondContact O-ND2 3.18Å; D126-N129 PolarHBondContact O-N 3.06Å |
| 130 | Q | 98.2 | Very high | 97.2 | Very high | 131 Ų | 131 | 65.3 Ų | 65.3 | 61% | 0.612 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -79.2 | -36 | -175.5 | -73.2 | 173.7 | 85.1 | 0 | 0 | 113.6 | D126 S127 W128 | D126-Q130 VanDerWaalsContact O-CG 3.3Å; D126-Q130 WeakPolarHBondContact O-CG 3.33Å; D126-Q130 PolarHBondContact O-N 3.14Å; D126-Q130 VanDerWaalsContact O-N 3.13Å; D126-Q130 PolarHBondContact O-NE2 3.08Å; S127-Q130 PolarHBondContact O-N 2.93Å; W128-Q130 VanDerWaalsContact C-N 3.26Å; W128-Q130 PolarHBondContact O-N 3.23Å |
| 131 | H | 98.3 | Very high | 97.2 | Very high | 79 Ų | 79 | 65 Ų | 65 | 37% | 0.366 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -117.4 | -17.5 | -166.9 | -60.5 | -66.2 | 0 | 0 | 0 | 115.1 | Y52 S127 | Y52-H131 HydrophobicContact CD1-CB 4.23Å; Y52-H131 AromaticContact CD1-CD2 3.5Å; Y52-H131 VanDerWaalsContact CD1-CD2 3.5Å; Y52-H131 WeakPolarHBondContact CD1-CD2 3.49Å; Y52-H131 AromaticContact CD1-CG 3.75Å; Y52-H131 AromaticContact CD1-NE2 3.92Å; Y52-H131 HydrophobicContact CD2-CB 3.53Å; Y52-H131 AromaticContact CD2-CG 3.99Å; Y52-H131 HydrophobicContact CE1-CB 4.03Å; Y52-H131 AromaticContact CE1-CD2 3.78Å; Y52-H131 AromaticContact CE1-CG 3.59Å; Y52-H131 AromaticContact CE1-ND1 3.75Å; Y52-H131 HydrophobicContact CE2-CB 3.32Å; Y52-H131 AromaticContact CE2-CG 3.86Å; Y52-H131 HydrophobicContact CG-CB 4Å; Y52-H131 AromaticContact CG-CD2 3.72Å; Y52-H131 AromaticContact CG-CG 3.95Å; Y52-H131 AromaticContact CZ-CG 3.64Å; Y52-H131 AromaticContact CZ-ND1 3.89Å; S127-H131 WeakPolarHBondContact O-CB 3.18Å; S127-H131 PolarHBondContact O-CD2 3.36Å; S127-H131 VanDerWaalsContact O-CD2 3.27Å; S127-H131 PolarHBondContact O-N 3.43Å |
| 132 | C | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | -40.2 | -168.1 | -51.9 | 0 | 0 | 0 | 0 | 112.4 | C48 W128 G134 Y135 L137 | C48-C132 HydrophobicContact CB-CB 3.78Å; C48-C132 WeakPolarHBondContact CB-SG 3.47Å; C48-C132 VanDerWaalsContact SG-CA 3.52Å; C48-C132 WeakPolarHBondContact SG-CB 3.29Å; C48-C132 CovalentContact SG-SG 2.03Å; C48-C132 PolarHBondContact SG-SG 2.87Å; W128-C132 HydrophobicContact CB-CB 4.39Å; W128-C132 HydrophobicContact CD2-CB 4.32Å; W128-C132 HydrophobicContact CG-CB 3.77Å; W128-C132 WeakPolarHBondContact O-CA 3.49Å; W128-C132 VanDerWaalsContact O-CB 3.29Å; W128-C132 WeakPolarHBondContact O-CB 3.39Å; W128-C132 PolarHBondContact O-N 2.97Å; C132-G134 PolarHBondContact O-N 3.41Å; C132-Y135 PolarHBondContact O-N 2.8Å; C132-L137 HydrophobicContact CB-CD1 4.07Å |
| 133 | Y | 97.8 | Very high | 97 | Very high | 158 Ų | 158 | 75.4 Ų | 75.4 | 62% | 0.62 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 127 | -177.5 | 179.9 | -113 | 0 | 0 | 0 | 112.2 | W128 Y135 | W128-Y133 AromaticContact CH2-CD2 3.36Å; W128-Y133 HydrophobicContact CH2-CD2 3.36Å; W128-Y133 HydrophobicContact CH2-CE2 4.25Å; W128-Y133 HydrophobicContact CH2-CG 4.05Å; W128-Y133 HydrophobicContact CZ2-CD2 4.15Å; W128-Y133 AromaticContact CZ3-CD2 3.76Å; W128-Y133 HydrophobicContact CZ3-CD2 3.76Å; W128-Y133 HydrophobicContact CZ3-CG 4.06Å; W128-Y133 PolarHBondContact O-N 2.81Å; Y133-Y135 VanDerWaalsContact C-N 3.3Å; Y133-Y135 WeakPolarHBondContact O-CD2 3.25Å; Y133-Y135 PolarHBondContact O-N 3.27Å |
| 134 | G | 96.4 | Very high | 96.8 | Very high | 75 Ų | 75 | 73 Ų | 73 | 77% | 0.773 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | 0.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | C132 | C132-G134 PolarHBondContact O-N 3.41Š|
| 135 | Y | 96.8 | Very high | 96.5 | Very high | 159 Ų | 159 | 78.5 Ų | 78.5 | 62% | 0.624 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -95.3 | 156.1 | 176.2 | -67.1 | -81.8 | 0 | 0 | 0 | 112.3 | C132 Y133 L137 | C132-Y135 PolarHBondContact O-N 2.8Å; Y133-Y135 VanDerWaalsContact C-N 3.3Å; Y133-Y135 WeakPolarHBondContact O-CD2 3.25Å; Y133-Y135 PolarHBondContact O-N 3.27Å; Y135-L137 PolarHBondContact O-N 3.34Å |
| 136 | D | 96 | Very high | 95.7 | Very high | 130 Ų | 130 | 79.8 Ų | 79.8 | 70% | 0.695 | 41% | 0.409 | S | S | * | . | trans | -75.4 | 105.4 | 168.1 | -179.9 | 1.3 | 0 | 0 | 0 | 109.5 | S138 | D136-S138 VanDerWaalsContact C-N 3.34Å; D136-S138 VanDerWaalsContact CG-OG 3.29Å; D136-S138 WeakPolarHBondContact OD1-CB 3.42Å; D136-S138 PolarHBondContact OD1-N 2.57Å; D136-S138 PolarHBondContact OD1-OG 2.65Å; D136-S138 PolarHBondContact OD2-OG 3.4Å | ||
| 137 | L | 97.4 | Very high | 94.5 | Very high | 16 Ų | 16 | 81.1 Ų | 81.1 | 8% | 0.084 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -92.6 | 10.9 | -178.6 | -56.4 | -178.2 | 0 | 0 | 0 | 113.1 | D45 C48 C132 Y135 E139 W140 | D45-L137 HydrophobicContact CB-CD1 4.22Å; D45-L137 WeakPolarHBondContact OD1-CD1 3.14Å; C48-L137 HydrophobicContact CB-CD1 4.04Å; C48-L137 HydrophobicContact CB-CD2 4.1Å; C132-L137 HydrophobicContact CB-CD1 4.07Å; Y135-L137 PolarHBondContact O-N 3.34Å; L137-E139 PolarHBondContact O-N 3.28Å; L137-W140 WeakPolarHBondContact O-CB 3.21Å; L137-W140 PolarHBondContact O-N 2.94Å |
| 138 | S | 94.3 | Very high | 92.6 | Very high | 72 Ų | 72 | 84.2 Ų | 84.2 | 50% | 0.503 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -63.6 | -27.2 | 177.8 | 66.7 | 0 | 0 | 0 | 0 | 113 | D136 W140 L141 | D136-S138 VanDerWaalsContact C-N 3.34Å; D136-S138 VanDerWaalsContact CG-OG 3.29Å; D136-S138 WeakPolarHBondContact OD1-CB 3.42Å; D136-S138 PolarHBondContact OD1-N 2.57Å; D136-S138 PolarHBondContact OD1-OG 2.65Å; D136-S138 PolarHBondContact OD2-OG 3.4Å; S138-W140 PolarHBondContact O-N 3.43Å; S138-L141 PolarHBondContact O-N 3.15Å; S138-L141 VanDerWaalsContact O-N 3.09Å |
| 139 | E | 94.3 | Very high | 90.3 | Very high | 120 Ų | 120 | 92.5 Ų | 92.5 | 56% | 0.561 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -60.5 | -30.3 | 176.7 | -177.3 | 165.9 | -163.1 | 0 | 0 | 112.5 | L137 L141 R142 | L137-E139 PolarHBondContact O-N 3.28Å; E139-L141 PolarHBondContact O-N 3.2Å; E139-R142 VanDerWaalsContact O-CB 3.23Å; E139-R142 WeakPolarHBondContact O-CB 3.36Å; E139-R142 PolarHBondContact O-N 3.15Å; E139-R142 IonicContact OE1-CZ 3.54Å; E139-R142 IonicContact OE1-NE 3.58Å; E139-R142 IonicContact OE1-NH2 2.73Å; E139-R142 PolarHBondContact OE1-NH2 3.38Å |
| 140 | W | 97.2 | Very high | 87.7 | Confident | 48 Ų | 48 | 95.2 Ų | 95.2 | 18% | 0.182 | 50% | 0.499 | C | S | . | . | G | 310 helix | trans | -59.8 | -18.9 | 176.6 | -75 | 99.8 | 0 | 0 | 0 | 113.8 | R23 L47 C48 H51 F56 L137 S138 | R23-W140 WeakPolarHBondContact CD-O 3.46Å; R23-W140 HydrophobicContact CG-CE3 4.16Å; R23-W140 PolarHBondContact NH1-O 3.02Å; L47-W140 HydrophobicContact CB-CB 4.14Å; L47-W140 HydrophobicContact CB-CD2 4.07Å; L47-W140 HydrophobicContact CB-CE3 3.87Å; L47-W140 HydrophobicContact CB-CG 4.21Å; L47-W140 HydrophobicContact CD1-CB 3.92Å; C48-W140 HydrophobicContact CB-CZ2 4.16Å; H51-W140 HydrophobicContact CB-CH2 3.47Å; H51-W140 VanDerWaalsContact CB-CH2 3.47Å; H51-W140 HydrophobicContact CB-CZ2 4.24Å; H51-W140 HydrophobicContact CB-CZ3 3.95Å; H51-W140 AromaticContact CD2-CH2 3.62Å; H51-W140 AromaticContact CG-CH2 3.42Å; H51-W140 VanDerWaalsContact CG-CH2 3.42Å; F56-W140 HydrophobicContact CE2-CZ3 4.27Å; F56-W140 HydrophobicContact CZ-CE3 4.33Å; F56-W140 AromaticContact CZ-CZ3 3.75Å; F56-W140 HydrophobicContact CZ-CZ3 3.75Å; L137-W140 WeakPolarHBondContact O-CB 3.21Å; L137-W140 PolarHBondContact O-N 2.94Å; S138-W140 PolarHBondContact O-N 3.43Å |
| 141 | L | 96.4 | Very high | 85.1 | Confident | 55 Ų | 55 | 94.6 Ų | 94.6 | 29% | 0.288 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -102.3 | -2.9 | 178.3 | -63.4 | 177.7 | 0 | 0 | 0 | 113.4 | A27 I43 L47 S138 E139 G143 C144 M146 | A27-L141 HydrophobicContact CB-CD2 3.91Å; I43-L141 HydrophobicContact CB-CD1 4.46Å; I43-L141 HydrophobicContact CB-CD2 4.14Å; I43-L141 HydrophobicContact CG2-CD2 3.73Å; L47-L141 HydrophobicContact CD1-CD2 3.95Å; S138-L141 PolarHBondContact O-N 3.15Å; S138-L141 VanDerWaalsContact O-N 3.09Å; E139-L141 PolarHBondContact O-N 3.2Å; L141-G143 PolarHBondContact O-N 3.05Å; L141-C144 WeakPolarHBondContact O-CB 3.03Å; L141-C144 PolarHBondContact O-N 3.3Å; L141-M146 HydrophobicContact CD2-CE 4.1Å; L141-M146 HydrophobicContact CD2-CG 4.14Å; L141-M146 HydrophobicContact CD2-SD 4.47Å |
| 142 | R | 95.5 | Very high | 82.7 | Confident | 171 Ų | 171 | 100 Ų | 100 | 65% | 0.645 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 124.7 | -178.4 | -171.8 | 164.4 | 60.1 | 106.7 | -7.5 | 110.5 | R23 E139 C144 | R23-R142 PolarHBondContact NH1-O 3.47Å; R23-R142 PolarHBondContact NH2-O 3.49Å; E139-R142 VanDerWaalsContact O-CB 3.23Å; E139-R142 WeakPolarHBondContact O-CB 3.36Å; E139-R142 PolarHBondContact O-N 3.15Å; E139-R142 IonicContact OE1-CZ 3.54Å; E139-R142 IonicContact OE1-NE 3.58Å; E139-R142 IonicContact OE1-NH2 2.73Å; E139-R142 PolarHBondContact OE1-NH2 3.38Å; R142-C144 VanDerWaalsContact C-N 3.32Å; R142-C144 PolarHBondContact O-N 2.88Å |
| 143 | G | 96.1 | Very high | 80.3 | Confident | 57 Ų | 57 | 108.8 Ų | 108.8 | 59% | 0.588 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78 | 1.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116 | L141 H145 | L141-G143 PolarHBondContact O-N 3.05Å; G143-H145 VanDerWaalsContact C-N 3.32Å; G143-H145 PolarHBondContact O-CD2 3.21Å; G143-H145 PolarHBondContact O-N 3.02Å |
| 144 | C | 94.9 | Very high | 77.7 | Confident | 1 Ų | 1 | 108.6 Ų | 108.6 | 1% | 0.007 | 57% | 0.569 | C | S | . | * | S | Bend | trans | -80.2 | -8.6 | -176.6 | -62.8 | 0 | 0 | 0 | 0 | 115.1 | R23 C24 K28 L141 R142 M146 | R23-C144 PolarHBondContact NH1-SG 2.69Å; C24-C144 WeakPolarHBondContact CA-SG 3.42Å; C24-C144 HydrophobicContact CB-CB 3.6Å; C24-C144 WeakPolarHBondContact CB-SG 3.36Å; C24-C144 WeakPolarHBondContact SG-CA 3.41Å; C24-C144 WeakPolarHBondContact SG-CB 3.47Å; C24-C144 CovalentContact SG-SG 2.05Å; C24-C144 PolarHBondContact SG-SG 3.03Å; K28-C144 WeakPolarHBondContact CE-O 3.2Å; L141-C144 WeakPolarHBondContact O-CB 3.03Å; L141-C144 PolarHBondContact O-N 3.3Å; R142-C144 VanDerWaalsContact C-N 3.32Å; R142-C144 PolarHBondContact O-N 2.88Å; C144-M146 VanDerWaalsContact C-N 3.27Å; C144-M146 HydrophobicContact CB-CG 3.81Å; C144-M146 HydrophobicContact CB-SD 3.8Å; C144-M146 PolarHBondContact O-N 2.78Å |
| 145 | H | 89.9 | Confident | 75.2 | Confident | 164 Ų | 164 | 112 Ų | 112 | 76% | 0.759 | 57% | 0.568 | S | S | * | * | trans | 48.9 | 49.6 | -177.7 | -56.6 | -77.7 | 0 | 0 | 0 | 112 | G143 | G143-H145 VanDerWaalsContact C-N 3.32Å; G143-H145 PolarHBondContact O-CD2 3.21Å; G143-H145 PolarHBondContact O-N 3.02Å | ||
| 146 | M | 82.8 | Confident | 72.6 | Confident | 40 Ų | 40 | 113.5 Ų | 113.5 | 20% | 0.197 | 60% | 0.601 | C | S | . | * | trans | -70.2 | 129.9 | -179.2 | -57 | -66.7 | -81.2 | 0 | 0 | 109.3 | A27 K28 E31 I43 L141 C144 A148 | A27-M146 HydrophobicContact CB-CE 3.71Å; A27-M146 HydrophobicContact CB-SD 3.79Å; A27-M146 VanDerWaalsContact O-CE 3.27Å; A27-M146 WeakPolarHBondContact O-CE 3.23Å; K28-M146 HydrophobicContact CG-SD 3.68Å; E31-M146 HydrophobicContact CB-CE 3.74Å; E31-M146 HydrophobicContact CG-CE 4.37Å; E31-M146 WeakPolarHBondContact OE2-CE 3.49Å; I43-M146 HydrophobicContact CG2-CE 4.48Å; L141-M146 HydrophobicContact CD2-CE 4.1Å; L141-M146 HydrophobicContact CD2-CG 4.14Å; L141-M146 HydrophobicContact CD2-SD 4.47Å; C144-M146 VanDerWaalsContact C-N 3.27Å; C144-M146 HydrophobicContact CB-CG 3.81Å; C144-M146 HydrophobicContact CB-SD 3.8Å; C144-M146 PolarHBondContact O-N 2.78Å; M146-A148 VanDerWaalsContact C-N 3.32Å; M146-A148 PolarHBondContact O-N 3.03Å | ||
| 147 | N | 70.4 | Confident | 71.4 | Confident | 144 Ų | 144 | 112.7 Ų | 112.7 | 77% | 0.77 | 60% | 0.597 | S | S | * | * | trans | -78.4 | 88.1 | 171.1 | -69.7 | -49.7 | 0 | 0 | 0 | 107.4 | K149 | N147-K149 PolarHBondContact O-N 2.92Š| ||
| 148 | A | 56 | Low | 70.1 | Confident | 79 Ų | 79 | 117.8 Ų | 117.8 | 65% | 0.653 | 62% | 0.624 | S | S | * | * | trans | -56.1 | 105.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | M146 P150 | M146-A148 VanDerWaalsContact C-N 3.32Å; M146-A148 PolarHBondContact O-N 3.03Å; A148-P150 WeakPolarHBondContact O-CD 3.28Å | ||
| 149 | K | 51.7 | Low | 68.7 | Low | 185 Ų | 185 | 120.3 Ų | 120.3 | 80% | 0.804 | 63% | 0.63 | S | S | * | * | trans | -60.1 | 124.1 | 160.7 | -78.7 | -174.8 | -179.9 | 173.9 | 0 | 105.4 | N147 N151 | N147-K149 PolarHBondContact O-N 2.92Å; K149-N151 PolarHBondContact O-N 3.42Å; K149-N151 VanDerWaalsContact O-N 3.16Å | ||
| 150 | P | 42.3 | Very low | 67.2 | Low | 116 Ų | 116 | 120.4 Ų | 120.4 | 75% | 0.753 | 64% | 0.635 | S | S | * | * | trans | -53.9 | 128.5 | 180 | -22.9 | 31.5 | 0 | 0 | 0 | 109 | A148 K152 | A148-P150 WeakPolarHBondContact O-CD 3.28Å; P150-K152 PolarHBondContact O-N 2.88Å | ||
| 151 | N | 43.7 | Very low | 65.3 | Low | 117 Ų | 117 | 124.9 Ų | 124.9 | 63% | 0.626 | 66% | 0.663 | S | S | * | * | trans | -51.9 | 112.7 | 175.5 | -177.3 | -7.8 | 0 | 0 | 0 | 108.6 | K149 K153 I154 | K149-N151 PolarHBondContact O-N 3.42Å; K149-N151 VanDerWaalsContact O-N 3.16Å; N151-K153 PolarHBondContact O-N 3.34Å; N151-K153 WeakPolarHBondContact OD1-CB 3.25Å; N151-K153 PolarHBondContact OD1-N 3.32Å; N151-K153 VanDerWaalsContact OD1-N 3.11Å; N151-I154 PolarHBondContact O-N 3.41Å | ||
| 152 | K | 47.4 | Very low | 63.3 | Low | 192 Ų | 192 | 129.5 Ų | 129.5 | 84% | 0.835 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | 0.2 | -179.4 | -79.8 | -171.9 | 176.2 | -174.6 | 0 | 113.9 | P150 I154 | P150-K152 PolarHBondContact O-N 2.88Å; K152-I154 PolarHBondContact O-N 3.01Å |
| 153 | K | 48.5 | Very low | 61 | Low | 186 Ų | 186 | 126.6 Ų | 126.6 | 81% | 0.809 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 4.1 | 170.4 | -70.9 | -166.6 | 175.6 | -176.7 | 0 | 114.8 | N151 | N151-K153 PolarHBondContact O-N 3.34Å; N151-K153 WeakPolarHBondContact OD1-CB 3.25Å; N151-K153 PolarHBondContact OD1-N 3.32Å; N151-K153 VanDerWaalsContact OD1-N 3.11Å |
| 154 | I | 44.6 | Very low | 58.3 | Low | 153 Ų | 153 | 131.9 Ų | 131.9 | 79% | 0.785 | 70% | 0.699 | S | S | * | * | trans | -112.6 | 57.5 | 166.6 | -44.7 | 176.2 | 0 | 0 | 0 | 109.7 | N151 K152 | N151-I154 PolarHBondContact O-N 3.41Å; K152-I154 PolarHBondContact O-N 3.01Å | ||
| 155 | I | 42.6 | Very low | 55.2 | Low | 148 Ų | 148 | 142.8 Ų | 142.8 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | trans | -134.9 | 118.4 | 148.7 | -56.6 | -178.2 | 0 | 0 | 0 | 104.5 | ||||
| 156 | S | 42.7 | Very low | 52.1 | Low | 190 Ų | 190 | 140.9 Ų | 140.9 | 100% | 1.329 | 76% | 0.756 | S | S | * | * | trans | -54.3 | 0 | -173.2 | 63.2 | 0 | 0 | 0 | 0 | 114.2 |
Retrieved 156 of 156 residues in 406.5 ms
(Link to these results)