| 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 | 47.6 | Very low | 47.5 | Very low | 250 Ų | 250 | 134 Ų | 134 | 100% | 1.232 | 85% | 0.847 | S | S | * | * | 0 | 140.3 | 0 | -85.5 | 135.2 | 167.3 | 0 | 0 | 108.6 | |||||
| 2 | L | 49.2 | Very low | 47.2 | Very low | 176 Ų | 176 | 130.8 Ų | 130.8 | 92% | 0.921 | 83% | 0.832 | S | S | * | * | trans | -76.2 | 125.5 | -156.2 | -61.5 | 152.9 | 0 | 0 | 0 | 113.1 | ||||
| 3 | C | 57.8 | Low | 46.9 | Very low | 139 Ų | 139 | 132.2 Ų | 132.2 | 94% | 0.939 | 83% | 0.828 | S | S | * | * | trans | -123 | 99.3 | 147.5 | -93.7 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 4 | G | 48.9 | Very low | 46.5 | Very low | 71 Ų | 71 | 136.9 Ų | 136.9 | 73% | 0.732 | 84% | 0.838 | S | S | * | * | 107.4 | 83 | 67.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | G6 | G4-G6 PolarHBondContact O-N 3.17Å; G4-G6 VanDerWaalsContact O-N 3.17Å | |||
| 5 | T | 55.3 | Low | 46.5 | Very low | 141 Ų | 141 | 132.2 Ų | 132.2 | 87% | 0.865 | 81% | 0.814 | S | S | * | * | trans | -64 | 105.7 | 176.8 | 46.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 6 | G | 47.6 | Very low | 46 | Very low | 75 Ų | 75 | 127.8 Ų | 127.8 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | -103.4 | 95.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | G4 | G4-G6 PolarHBondContact O-N 3.17Å; G4-G6 VanDerWaalsContact O-N 3.17Å | ||
| 7 | L | 52.5 | Low | 45.7 | Very low | 155 Ų | 155 | 125.3 Ų | 125.3 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | trans | -51.9 | 135.9 | 177.1 | -80.6 | 138.3 | 0 | 0 | 0 | 112.4 | V9 | L7-V9 PolarHBondContact O-N 3.29Š| ||
| 8 | S | 36.1 | Very low | 45.5 | Very low | 102 Ų | 102 | 129.7 Ų | 129.7 | 71% | 0.713 | 81% | 0.805 | S | S | * | * | trans | -51 | 114.2 | 168.1 | 46.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 9 | V | 41.3 | Very low | 45.5 | Very low | 132 Ų | 132 | 126.5 Ų | 126.5 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | trans | -99 | 85.1 | 160 | -83.2 | 0 | 0 | 0 | 0 | 108.8 | L7 S11 | L7-V9 PolarHBondContact O-N 3.29Å; V9-S11 VanDerWaalsContact C-N 3.28Å; V9-S11 PolarHBondContact O-N 2.68Å; V9-S11 VanDerWaalsContact O-N 3.08Å | ||
| 10 | T | 46.5 | Very low | 45.9 | Very low | 116 Ų | 116 | 126.5 Ų | 126.5 | 71% | 0.712 | 80% | 0.798 | S | S | * | * | trans | -73.6 | 89 | 159.9 | 50.3 | 0 | 0 | 0 | 0 | 107.9 | S12 | T10-S12 PolarHBondContact O-N 3.08Š| ||
| 11 | S | 39.6 | Very low | 46.3 | Very low | 117 Ų | 117 | 125.2 Ų | 125.2 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -76 | 66.1 | 165.3 | -57.2 | 0 | 0 | 0 | 0 | 109 | V9 L13 | V9-S11 VanDerWaalsContact C-N 3.28Å; V9-S11 PolarHBondContact O-N 2.68Å; V9-S11 VanDerWaalsContact O-N 3.08Å; S11-L13 PolarHBondContact O-N 3.36Å | ||
| 12 | S | 43.7 | Very low | 46.6 | Very low | 95 Ų | 95 | 118 Ų | 118 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | trans | -67.1 | 119.3 | 170.3 | -69.5 | 0 | 0 | 0 | 0 | 109.2 | T10 M14 | T10-S12 PolarHBondContact O-N 3.08Å; S12-M14 PolarHBondContact O-N 2.92Å | ||
| 13 | L | 43.6 | Very low | 46.9 | Very low | 150 Ų | 150 | 112.2 Ų | 112.2 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | trans | 26.6 | 91.6 | 150.3 | -96.2 | 73.9 | 0 | 0 | 0 | 115.4 | S11 S15 | S11-L13 PolarHBondContact O-N 3.36Å; L13-S15 PolarHBondContact O-N 3.4Å | ||
| 14 | M | 41.5 | Very low | 46.8 | Very low | 197 Ų | 197 | 116 Ų | 116 | 97% | 0.97 | 73% | 0.73 | S | S | * | * | trans | -74.4 | 76.9 | 155.7 | -62.8 | -173.3 | 96.3 | 0 | 0 | 107.8 | S12 | S12-M14 PolarHBondContact O-N 2.92Š| ||
| 15 | S | 46.5 | Very low | 47.2 | Very low | 67 Ų | 67 | 114.9 Ų | 114.9 | 47% | 0.469 | 71% | 0.707 | S | S | . | * | trans | -50.8 | 136.7 | 171.1 | -67.6 | 0 | 0 | 0 | 0 | 109.2 | L13 G17 | L13-S15 PolarHBondContact O-N 3.4Å; S15-G17 PolarHBondContact O-N 3.27Å | ||
| 16 | G | 38 | Very low | 47.4 | Very low | 62 Ų | 62 | 116.8 Ų | 116.8 | 64% | 0.639 | 71% | 0.706 | S | S | * | * | trans | -42.2 | 139.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | R18 | G16-R18 PolarHBondContact O-N 3.17Š| ||
| 17 | G | 41.1 | Very low | 48.4 | Very low | 85 Ų | 85 | 116.8 Ų | 116.8 | 88% | 0.876 | 71% | 0.706 | S | S | * | * | trans | -57.3 | 83 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | S15 G19 | S15-G17 PolarHBondContact O-N 3.27Å; G17-G19 PolarHBondContact O-N 3.18Å | ||
| 18 | R | 42.9 | Very low | 49.7 | Very low | 205 Ų | 205 | 111.3 Ų | 111.3 | 77% | 0.774 | 68% | 0.677 | S | S | * | * | trans | -55.1 | 113 | 156.3 | -58.4 | -177.6 | -146.2 | -174.3 | 6.1 | 103 | G16 V20 | G16-R18 PolarHBondContact O-N 3.17Å; R18-V20 PolarHBondContact O-N 2.99Å | ||
| 19 | G | 44.6 | Very low | 52 | Low | 68 Ų | 68 | 107.5 Ų | 107.5 | 70% | 0.701 | 65% | 0.649 | S | S | * | * | trans | -45 | 113.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | G17 P21 | G17-G19 PolarHBondContact O-N 3.18Å; G19-P21 VanDerWaalsContact O-CD 3.29Å; G19-P21 WeakPolarHBondContact O-CD 3.35Å | ||
| 20 | V | 54.6 | Low | 54.2 | Low | 127 Ų | 127 | 102 Ų | 102 | 77% | 0.77 | 62% | 0.616 | S | S | * | * | trans | -51.7 | 114 | -178.3 | 177.8 | 0 | 0 | 0 | 0 | 104.3 | R18 | R18-V20 PolarHBondContact O-N 2.99Š| ||
| 21 | P | 53.8 | Low | 56.3 | Low | 100 Ų | 100 | 96.4 Ų | 96.4 | 65% | 0.649 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 135.5 | -179.7 | 20.9 | -30.6 | 0 | 0 | 0 | 105.9 | G19 P23 | G19-P21 VanDerWaalsContact O-CD 3.29Å; G19-P21 WeakPolarHBondContact O-CD 3.35Å; P21-P23 VanDerWaalsContact O-N 3.12Å |
| 22 | P | 54.2 | Low | 58.7 | Low | 99 Ų | 99 | 93.8 Ų | 93.8 | 64% | 0.643 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 131 | -179.9 | 21.2 | -31.4 | 0 | 0 | 0 | 107 | R24 | P22-R24 PolarHBondContact O-N 2.79Š|
| 23 | P | 54.9 | Low | 60.9 | Low | 53 Ų | 53 | 89.2 Ų | 89.2 | 34% | 0.344 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -49.3 | 142.4 | -179.9 | 16.5 | -28.2 | 0 | 0 | 0 | 108.5 | P21 I25 D57 | P21-P23 VanDerWaalsContact O-N 3.12Å; P23-I25 VanDerWaalsContact C-N 3.32Å; P23-I25 HydrophobicContact CB-CG2 4.28Å; P23-I25 HydrophobicContact CG-CG2 4.07Å; P23-I25 VanDerWaalsContact O-CB 3.31Å; P23-I25 WeakPolarHBondContact O-CB 3.39Å; P23-I25 WeakPolarHBondContact O-CG1 3.3Å; P23-I25 WeakPolarHBondContact O-CG2 3.18Å; P23-I25 PolarHBondContact O-N 3.18Å; P23-D57 HydrophobicContact CG-CB 4.23Å |
| 24 | R | 54.7 | Low | 63 | Low | 220 Ų | 220 | 84.7 Ų | 84.7 | 83% | 0.83 | 50% | 0.501 | S | S | * | . | trans | -57.7 | 100.4 | 177.8 | -85.9 | -175.2 | 178.2 | -133.8 | 2.5 | 108.3 | P22 M28 | P22-R24 PolarHBondContact O-N 2.79Å; R24-M28 WeakPolarHBondContact O-CE 3.46Å | ||
| 25 | I | 59.1 | Low | 65.2 | Low | 47 Ų | 47 | 78.9 Ų | 78.9 | 24% | 0.241 | 47% | 0.474 | C | S | . | . | trans | -108 | 1.7 | -168.4 | 45.5 | 104.9 | 0 | 0 | 0 | 112.7 | P23 G27 M28 R76 | P23-I25 VanDerWaalsContact C-N 3.32Å; P23-I25 HydrophobicContact CB-CG2 4.28Å; P23-I25 HydrophobicContact CG-CG2 4.07Å; P23-I25 VanDerWaalsContact O-CB 3.31Å; P23-I25 WeakPolarHBondContact O-CB 3.39Å; P23-I25 WeakPolarHBondContact O-CG1 3.3Å; P23-I25 WeakPolarHBondContact O-CG2 3.18Å; P23-I25 PolarHBondContact O-N 3.18Å; I25-G27 PolarHBondContact O-N 3.06Å; I25-G27 VanDerWaalsContact O-N 3.09Å; I25-M28 HydrophobicContact CB-SD 4.15Å; I25-M28 HydrophobicContact CG2-CB 4.5Å; I25-M28 HydrophobicContact CG2-CE 4.46Å; I25-M28 HydrophobicContact CG2-CG 4.42Å; I25-M28 HydrophobicContact CG2-SD 3.36Å; I25-M28 WeakPolarHBondContact CG2-SD 3.47Å; I25-M28 PolarHBondContact O-N 2.74Å; I25-M28 VanDerWaalsContact O-N 3.1Å; I25-R76 VanDerWaalsContact CD1-NH1 3.35Å | ||
| 26 | E | 59 | Low | 67.1 | Low | 181 Ų | 181 | 76.2 Ų | 76.2 | 85% | 0.846 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 104.5 | 166.2 | -67.5 | 176.8 | 94.6 | 0 | 0 | 108.4 | ||
| 27 | G | 68.6 | Low | 69.2 | Low | 75 Ų | 75 | 73.7 Ų | 73.7 | 77% | 0.773 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107 | -10.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | I25 | I25-G27 PolarHBondContact O-N 3.06Å; I25-G27 VanDerWaalsContact O-N 3.09Å |
| 28 | M | 78.9 | Confident | 71 | Confident | 40 Ų | 40 | 72.6 Ų | 72.6 | 20% | 0.197 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -82.7 | 141.1 | 175.8 | -65.3 | 178.9 | -176.4 | 0 | 0 | 111.2 | R24 I25 F77 | R24-M28 WeakPolarHBondContact O-CE 3.46Å; I25-M28 HydrophobicContact CB-SD 4.15Å; I25-M28 HydrophobicContact CG2-CB 4.5Å; I25-M28 HydrophobicContact CG2-CE 4.46Å; I25-M28 HydrophobicContact CG2-CG 4.42Å; I25-M28 HydrophobicContact CG2-SD 3.36Å; I25-M28 WeakPolarHBondContact CG2-SD 3.47Å; I25-M28 PolarHBondContact O-N 2.74Å; I25-M28 VanDerWaalsContact O-N 3.1Å; M28-F77 WeakPolarHBondContact CA-O 2.96Å; M28-F77 WeakPolarHBondContact CB-O 3.46Å |
| 29 | T | 85.6 | Confident | 72.8 | Confident | 22 Ų | 22 | 72.4 Ų | 72.4 | 14% | 0.135 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 123.8 | 176.7 | -59.9 | 0 | 0 | 0 | 0 | 109.8 | R76 F77 R80 A83 | T29-R76 WeakPolarHBondContact O-CA 3.5Å; T29-F77 PolarHBondContact N-O 2.82Å; T29-F77 PolarHBondContact O-N 2.92Å; T29-R80 HydrophobicContact CG2-CG 4.31Å; T29-R80 WeakPolarHBondContact OG1-CA 3.41Å; T29-R80 VanDerWaalsContact OG1-CB 3.23Å; T29-R80 WeakPolarHBondContact OG1-CB 3.43Å; T29-A83 HydrophobicContact CG2-CB 3.4Å; T29-A83 VanDerWaalsContact CG2-CB 3.4Å |
| 30 | S | 86.8 | Confident | 74.5 | Confident | 15 Ų | 15 | 69.3 Ų | 69.3 | 11% | 0.105 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 131.3 | -178.8 | -54.3 | 0 | 0 | 0 | 0 | 109.1 | R76 A105 | S30-R76 PolarHBondContact OG-NE 3.15Å; S30-R76 PolarHBondContact OG-NH2 2.83Å; S30-A105 WeakPolarHBondContact O-CB 3.27Å; S30-A105 PolarHBondContact O-N 2.7Å |
| 31 | L | 90 | Very high | 75.9 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 132.2 | 174.1 | -64.7 | -177.2 | 0 | 0 | 0 | 108.9 | F74 V75 F77 A83 A86 M87 I102 | L31-F74 CarbonylContact O-C 3.46Å; L31-F74 VanDerWaalsContact O-CA 3.3Å; L31-F74 WeakPolarHBondContact O-CA 3.3Å; L31-V75 PolarHBondContact N-O 3.37Å; L31-V75 PolarHBondContact O-N 3.32Å; L31-F77 HydrophobicContact CD1-CD2 3.91Å; L31-F77 HydrophobicContact CD1-CE2 3.65Å; L31-F77 HydrophobicContact CG-CD2 4.28Å; L31-F77 HydrophobicContact CG-CE2 4.45Å; L31-A83 HydrophobicContact CD1-CB 4.12Å; L31-A83 WeakPolarHBondContact CD1-O 3.3Å; L31-A83 HydrophobicContact CD2-CB 4.05Å; L31-A83 HydrophobicContact CG-CB 4.01Å; L31-A86 HydrophobicContact CD1-CB 4.09Å; L31-M87 HydrophobicContact CD2-CB 4.24Å; L31-M87 HydrophobicContact CD2-CE 4.47Å; L31-M87 HydrophobicContact CD2-SD 4.4Å; L31-I102 HydrophobicContact CB-CG2 4.08Å; L31-I102 HydrophobicContact CD1-CG2 4.02Å; L31-I102 HydrophobicContact CD2-CG2 4.32Å; L31-I102 HydrophobicContact CG-CG2 4.38Å |
| 32 | K | 90 | Very high | 77.4 | Confident | 61 Ų | 61 | 61.9 Ų | 61.9 | 27% | 0.265 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 122 | 168.3 | -179.9 | -173.8 | 170.9 | -158.8 | 0 | 107.5 | D34 A73 F74 I102 V103 A105 | K32-D34 WeakPolarHBondContact CE-OD2 3.42Å; K32-D34 IonicContact NZ-OD2 3.13Å; K32-D34 PolarHBondContact NZ-OD2 3.18Å; K32-A73 WeakPolarHBondContact CA-O 3.01Å; K32-F74 HydrophobicContact CB-CD1 3.97Å; K32-F74 HydrophobicContact CB-CE1 3.84Å; K32-F74 HydrophobicContact CD-CE1 4.13Å; K32-F74 HydrophobicContact CG-CD1 4.21Å; K32-F74 HydrophobicContact CG-CE1 3.78Å; K32-F74 HydrophobicContact CG-CZ 4.39Å; K32-I102 WeakPolarHBondContact O-CA 3.41Å; K32-V103 HydrophobicContact CB-CG2 3.87Å; K32-V103 HydrophobicContact CD-CG2 4.27Å; K32-V103 HydrophobicContact CG-CG2 4.4Å; K32-V103 PolarHBondContact N-O 2.72Å; K32-V103 PolarHBondContact O-N 3.29Å; K32-A105 HydrophobicContact CB-CB 4.11Å |
| 33 | V | 89.9 | Confident | 79 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 121.4 | 173.9 | -170.1 | 0 | 0 | 0 | 0 | 107.3 | L36 L45 F49 F72 A73 V75 I100 H101 I102 | V33-L36 HydrophobicContact CB-CD1 3.86Å; V33-L36 HydrophobicContact CB-CG 4.42Å; V33-L36 HydrophobicContact CG1-CD1 3.69Å; V33-L36 HydrophobicContact CG1-CD2 3.86Å; V33-L36 HydrophobicContact CG1-CG 3.73Å; V33-L45 HydrophobicContact CG1-CD2 4.46Å; V33-F49 HydrophobicContact CG1-CZ 4.41Å; V33-F49 HydrophobicContact CG2-CE1 4.45Å; V33-F49 HydrophobicContact CG2-CE2 3.93Å; V33-F49 HydrophobicContact CG2-CZ 3.59Å; V33-F72 CarbonylContact O-C 3.44Å; V33-F72 WeakPolarHBondContact O-CA 3.36Å; V33-F72 VanDerWaalsContact O-CB 3.28Å; V33-F72 WeakPolarHBondContact O-CB 3.41Å; V33-A73 PolarHBondContact N-O 3.25Å; V33-A73 PolarHBondContact O-N 3.38Å; V33-V75 HydrophobicContact CG2-CG2 4.04Å; V33-I100 HydrophobicContact CG1-CB 4.21Å; V33-I100 HydrophobicContact CG1-CD1 4.27Å; V33-H101 CarbonylContact C-O 3.5Å; V33-H101 WeakPolarHBondContact CA-O 3.44Å; V33-I102 HydrophobicContact CG1-CG1 4.2Å; V33-I102 HydrophobicContact CG2-CG1 4.35Å |
| 34 | D | 88.6 | Confident | 80.6 | Confident | 55 Ų | 55 | 61.6 Ų | 61.6 | 29% | 0.294 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 166.7 | -177.1 | -141.5 | -64.9 | 0 | 0 | 0 | 110.5 | K32 L36 G71 I100 H101 | K32-D34 WeakPolarHBondContact CE-OD2 3.42Å; K32-D34 IonicContact NZ-OD2 3.13Å; K32-D34 PolarHBondContact NZ-OD2 3.18Å; D34-L36 VanDerWaalsContact C-N 3.26Å; D34-L36 PolarHBondContact O-N 3.22Å; D34-G71 CarbonylContact C-O 3.29Å; D34-G71 VanDerWaalsContact C-O 3.29Å; D34-G71 WeakPolarHBondContact CA-O 3.31Å; D34-I100 WeakPolarHBondContact O-CA 3.48Å; D34-H101 HydrophobicContact CB-CB 4.3Å; D34-H101 PolarHBondContact N-O 3.4Å; D34-H101 PolarHBondContact O-N 3.18Å |
| 35 | N | 88 | Confident | 82.3 | Confident | 75 Ų | 75 | 51.1 Ų | 51.1 | 40% | 0.401 | 29% | 0.289 | S | S | . | . | S | Bend | trans | 52.5 | 35.7 | -172.6 | -161.7 | 34.6 | 0 | 0 | 0 | 115.4 | G71 Q99 | N35-G71 CarbonylContact C-O 3.58Å; N35-G71 WeakPolarHBondContact CA-O 3.23Å; N35-G71 PolarHBondContact N-O 3.32Å; N35-Q99 WeakPolarHBondContact CB-O 3.38Å; N35-Q99 PolarHBondContact ND2-O 2.73Å |
| 36 | L | 86.1 | Confident | 83.7 | Confident | 11 Ų | 11 | 55.2 Ų | 55.2 | 6% | 0.058 | 30% | 0.301 | C | S | . | . | trans | -73.5 | 143.7 | 173.6 | -76.4 | 166.3 | 0 | 0 | 0 | 112.1 | V33 D34 T40 L45 G71 A73 L95 I100 | V33-L36 HydrophobicContact CB-CD1 3.86Å; V33-L36 HydrophobicContact CB-CG 4.42Å; V33-L36 HydrophobicContact CG1-CD1 3.69Å; V33-L36 HydrophobicContact CG1-CD2 3.86Å; V33-L36 HydrophobicContact CG1-CG 3.73Å; D34-L36 VanDerWaalsContact C-N 3.26Å; D34-L36 PolarHBondContact O-N 3.22Å; L36-T40 HydrophobicContact CD2-CG2 4.03Å; L36-L45 HydrophobicContact CD1-CD1 4.08Å; L36-L45 HydrophobicContact CD1-CD2 4Å; L36-L45 HydrophobicContact CD2-CD2 3.76Å; L36-G71 PolarHBondContact N-O 3.1Å; L36-A73 HydrophobicContact CD1-CB 3.43Å; L36-A73 VanDerWaalsContact CD1-CB 3.43Å; L36-L95 HydrophobicContact CD2-CD2 3.72Å; L36-I100 HydrophobicContact CD2-CG2 3.72Å; L36-I100 HydrophobicContact CG-CG2 4.37Å | ||
| 37 | S | 82.3 | Confident | 85.2 | Confident | 9 Ų | 9 | 54.5 Ų | 54.5 | 6% | 0.063 | 30% | 0.295 | C | S | . | . | trans | -67 | 143.9 | 170.1 | -167.9 | 0 | 0 | 0 | 0 | 110.2 | R39 T40 | S37-R39 PolarHBondContact O-N 3.46Å; S37-T40 WeakPolarHBondContact O-CB 3.15Å; S37-T40 PolarHBondContact O-N 3.36Å | ||
| 38 | S | 78.2 | Confident | 86.2 | Confident | 61 Ų | 61 | 51.6 Ų | 51.6 | 43% | 0.427 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -19 | 174.5 | 49.1 | 0 | 0 | 0 | 0 | 113.2 | ||
| 39 | R | 80.6 | Confident | 86.7 | Confident | 202 Ų | 202 | 49.7 Ų | 49.7 | 76% | 0.762 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -29.6 | 175.1 | -54.2 | -176.2 | 162.6 | -149.5 | -8.4 | 113.4 | S37 G41 | S37-R39 PolarHBondContact O-N 3.46Å; R39-G41 PolarHBondContact O-N 3.35Å |
| 40 | T | 80.7 | Confident | 86.9 | Confident | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | trans | -74.6 | 114.1 | -173.4 | -52.2 | 0 | 0 | 0 | 0 | 109.7 | L36 S37 D44 L45 L95 | L36-T40 HydrophobicContact CD2-CG2 4.03Å; S37-T40 WeakPolarHBondContact O-CB 3.15Å; S37-T40 PolarHBondContact O-N 3.36Å; T40-D44 HydrophobicContact CG2-CB 3.74Å; T40-L45 HydrophobicContact CG2-CD2 4.24Å; T40-L45 HydrophobicContact CG2-CG 4.21Å; T40-L95 HydrophobicContact CG2-CD2 3.64Å | ||
| 41 | G | 83.4 | Confident | 87.1 | Confident | 10 Ų | 10 | 58.8 Ų | 58.8 | 10% | 0.103 | 29% | 0.292 | C | S | . | . | trans | -89.3 | 176.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R39 A43 D44 L45 | R39-G41 PolarHBondContact O-N 3.35Å; G41-A43 PolarHBondContact O-N 2.81Å; G41-D44 PolarHBondContact N-OD2 2.84Å; G41-D44 PolarHBondContact O-N 3.1Å; G41-L45 WeakPolarHBondContact O-CG 2.94Å; G41-L45 PolarHBondContact O-N 2.9Å; G41-L45 VanDerWaalsContact O-N 3.15Å | ||
| 42 | P | 86.6 | Confident | 87.1 | Confident | 60 Ų | 60 | 59.8 Ų | 59.8 | 39% | 0.39 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.4 | -30.1 | 172.6 | 28 | -33.3 | 0 | 0 | 0 | 111.5 | R46 I58 I60 | P42-R46 WeakPolarHBondContact O-CB 3.1Å; P42-R46 PolarHBondContact O-N 3.37Å; P42-I58 HydrophobicContact CB-CB 4.37Å; P42-I58 HydrophobicContact CB-CG2 3.86Å; P42-I58 WeakPolarHBondContact O-CD1 3.36Å; P42-I60 HydrophobicContact CB-CD1 4.02Å; P42-I60 HydrophobicContact CB-CG1 4.46Å; P42-I60 HydrophobicContact CG-CD1 4.42Å |
| 43 | A | 87.8 | Confident | 87 | Confident | 70 Ų | 70 | 57.6 Ų | 57.6 | 58% | 0.579 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -64.9 | -43 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G41 R46 K47 | G41-A43 PolarHBondContact O-N 2.81Å; A43-R46 WeakPolarHBondContact O-CB 3.29Å; A43-R46 PolarHBondContact O-N 3.4Å; A43-K47 PolarHBondContact O-N 3.03Å |
| 44 | D | 88.4 | Confident | 87 | Confident | 76 Ų | 76 | 64 Ų | 64 | 41% | 0.406 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.4 | -43.4 | 177.8 | -58 | -66.9 | 0 | 0 | 0 | 111.5 | T40 G41 R46 K47 A48 | T40-D44 HydrophobicContact CG2-CB 3.74Å; G41-D44 PolarHBondContact N-OD2 2.84Å; G41-D44 PolarHBondContact O-N 3.1Å; D44-R46 VanDerWaalsContact C-N 3.33Å; D44-R46 PolarHBondContact O-N 2.76Å; D44-K47 PolarHBondContact O-N 3.42Å; D44-A48 VanDerWaalsContact O-CB 3.28Å; D44-A48 WeakPolarHBondContact O-CB 3.28Å; D44-A48 PolarHBondContact O-N 3.28Å |
| 45 | L | 89 | Confident | 87 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.6 | -48.4 | 172.2 | -68.3 | 174.5 | 0 | 0 | 0 | 110.1 | V33 L36 T40 G41 K47 A48 F49 I58 I60 A73 V75 L95 | V33-L45 HydrophobicContact CG1-CD2 4.46Å; L36-L45 HydrophobicContact CD1-CD1 4.08Å; L36-L45 HydrophobicContact CD1-CD2 4Å; L36-L45 HydrophobicContact CD2-CD2 3.76Å; T40-L45 HydrophobicContact CG2-CD2 4.24Å; T40-L45 HydrophobicContact CG2-CG 4.21Å; G41-L45 WeakPolarHBondContact O-CG 2.94Å; G41-L45 PolarHBondContact O-N 2.9Å; G41-L45 VanDerWaalsContact O-N 3.15Å; L45-K47 VanDerWaalsContact C-N 3.31Å; L45-K47 PolarHBondContact O-N 2.96Å; L45-A48 PolarHBondContact O-N 3.38Å; L45-A48 VanDerWaalsContact O-N 3.14Å; L45-F49 HydrophobicContact CB-CD2 4.27Å; L45-F49 HydrophobicContact CD2-CD2 4.18Å; L45-F49 HydrophobicContact CD2-CE2 3.74Å; L45-F49 VanDerWaalsContact O-CB 3.3Å; L45-F49 WeakPolarHBondContact O-CB 3.13Å; L45-F49 WeakPolarHBondContact O-CD2 3.31Å; L45-F49 PolarHBondContact O-N 3.46Å; L45-I58 HydrophobicContact CB-CD1 4.37Å; L45-I58 HydrophobicContact CB-CG2 4.48Å; L45-I58 HydrophobicContact CD1-CG2 4.11Å; L45-I60 HydrophobicContact CD1-CD1 3.8Å; L45-I60 HydrophobicContact CD1-CG1 4.24Å; L45-A73 HydrophobicContact CD1-CB 3.4Å; L45-A73 VanDerWaalsContact CD1-CB 3.4Å; L45-V75 HydrophobicContact CB-CG2 4.48Å; L45-V75 HydrophobicContact CD1-CG2 4.45Å; L45-L95 HydrophobicContact CD2-CD2 4.37Å |
| 46 | R | 90.3 | Very high | 86.9 | Confident | 134 Ų | 134 | 60.5 Ų | 60.5 | 51% | 0.506 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -53.9 | -50.7 | 178.5 | -164.1 | -179 | -177.4 | -81.2 | 3.7 | 111.2 | P42 A43 D44 A48 F49 E50 I55 I58 | P42-R46 WeakPolarHBondContact O-CB 3.1Å; P42-R46 PolarHBondContact O-N 3.37Å; A43-R46 WeakPolarHBondContact O-CB 3.29Å; A43-R46 PolarHBondContact O-N 3.4Å; D44-R46 VanDerWaalsContact C-N 3.33Å; D44-R46 PolarHBondContact O-N 2.76Å; R46-A48 VanDerWaalsContact C-N 3.32Å; R46-A48 PolarHBondContact O-N 3.14Å; R46-F49 PolarHBondContact O-N 3.09Å; R46-E50 IonicContact NH1-OE1 3.81Å; R46-E50 PolarHBondContact NH1-OE1 2.87Å; R46-E50 WeakPolarHBondContact O-CB 3.45Å; R46-E50 VanDerWaalsContact O-CG 3.3Å; R46-E50 WeakPolarHBondContact O-CG 3.42Å; R46-E50 PolarHBondContact O-N 2.89Å; R46-I55 HydrophobicContact CB-CD1 4.39Å; R46-I55 HydrophobicContact CG-CD1 3.95Å; R46-I55 WeakPolarHBondContact O-CD1 3.43Å; R46-I58 HydrophobicContact CB-CD1 3.55Å; R46-I58 HydrophobicContact CG-CD1 4.07Å |
| 47 | K | 90.5 | Very high | 86.8 | Confident | 166 Ų | 166 | 61.9 Ų | 61.9 | 72% | 0.722 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -64.3 | -35.8 | -179.1 | -142 | 175.2 | -171.1 | -178.7 | 0 | 113 | A43 D44 L45 E50 | A43-K47 PolarHBondContact O-N 3.03Å; D44-K47 PolarHBondContact O-N 3.42Å; L45-K47 VanDerWaalsContact C-N 3.31Å; L45-K47 PolarHBondContact O-N 2.96Å; K47-E50 WeakPolarHBondContact CA-OE1 3.35Å |
| 48 | A | 88.3 | Confident | 87 | Confident | 13 Ų | 13 | 63 Ų | 63 | 11% | 0.107 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -73.6 | -35.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D44 L45 R46 K51 F52 M90 L95 | D44-A48 VanDerWaalsContact O-CB 3.28Å; D44-A48 WeakPolarHBondContact O-CB 3.28Å; D44-A48 PolarHBondContact O-N 3.28Å; L45-A48 PolarHBondContact O-N 3.38Å; L45-A48 VanDerWaalsContact O-N 3.14Å; R46-A48 VanDerWaalsContact C-N 3.32Å; R46-A48 PolarHBondContact O-N 3.14Å; A48-K51 WeakPolarHBondContact O-CE 3.19Å; A48-F52 WeakPolarHBondContact O-CE2 3.27Å; A48-M90 HydrophobicContact CB-CE 3.98Å; A48-L95 HydrophobicContact CB-CD1 4.41Å |
| 49 | F | 89.1 | Confident | 87.3 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -95.8 | -25.8 | -172.8 | -78.8 | -82.7 | 0 | 0 | 0 | 113.7 | V33 L45 R46 K51 F52 I55 V75 F77 A86 M90 I102 | V33-F49 HydrophobicContact CG1-CZ 4.41Å; V33-F49 HydrophobicContact CG2-CE1 4.45Å; V33-F49 HydrophobicContact CG2-CE2 3.93Å; V33-F49 HydrophobicContact CG2-CZ 3.59Å; L45-F49 HydrophobicContact CB-CD2 4.27Å; L45-F49 HydrophobicContact CD2-CD2 4.18Å; L45-F49 HydrophobicContact CD2-CE2 3.74Å; L45-F49 VanDerWaalsContact O-CB 3.3Å; L45-F49 WeakPolarHBondContact O-CB 3.13Å; L45-F49 WeakPolarHBondContact O-CD2 3.31Å; L45-F49 PolarHBondContact O-N 3.46Å; R46-F49 PolarHBondContact O-N 3.09Å; F49-K51 PolarHBondContact O-N 3.31Å; F49-F52 PolarHBondContact O-N 3.35Å; F49-I55 HydrophobicContact CB-CD1 3.58Å; F49-I55 HydrophobicContact CB-CG1 4.33Å; F49-V75 HydrophobicContact CB-CG1 4.36Å; F49-V75 HydrophobicContact CD2-CG2 4.31Å; F49-V75 HydrophobicContact CE2-CG2 4.46Å; F49-V75 HydrophobicContact CG-CG1 4.38Å; F49-F77 HydrophobicContact CB-CZ 3.96Å; F49-F77 HydrophobicContact CD1-CE2 4.08Å; F49-F77 AromaticContact CD1-CZ 3.99Å; F49-F77 HydrophobicContact CD1-CZ 3.99Å; F49-F77 HydrophobicContact CG-CZ 4.44Å; F49-A86 HydrophobicContact CD1-CB 4.04Å; F49-A86 HydrophobicContact CE1-CB 4.33Å; F49-M90 HydrophobicContact CE1-CB 4.4Å; F49-I102 HydrophobicContact CE1-CD1 3.68Å; F49-I102 HydrophobicContact CZ-CD1 3.5Å; F49-I102 HydrophobicContact CZ-CG1 4.26Å |
| 50 | E | 90.2 | Very high | 87.5 | Confident | 94 Ų | 94 | 53.6 Ų | 53.6 | 44% | 0.439 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -62.8 | -27.8 | -175.8 | 67.6 | -179.9 | 85.9 | 0 | 0 | 112.9 | R46 K47 F52 G53 I55 | R46-E50 IonicContact NH1-OE1 3.81Å; R46-E50 PolarHBondContact NH1-OE1 2.87Å; R46-E50 WeakPolarHBondContact O-CB 3.45Å; R46-E50 VanDerWaalsContact O-CG 3.3Å; R46-E50 WeakPolarHBondContact O-CG 3.42Å; R46-E50 PolarHBondContact O-N 2.89Å; K47-E50 WeakPolarHBondContact CA-OE1 3.35Å; E50-F52 PolarHBondContact O-N 3.26Å; E50-F52 VanDerWaalsContact O-N 3.17Å; E50-G53 WeakPolarHBondContact CA-O 3.37Å; E50-G53 PolarHBondContact O-N 3.5Å; E50-I55 HydrophobicContact CB-CD1 4.22Å |
| 51 | K | 91.3 | Very high | 87.1 | Confident | 134 Ų | 134 | 54.9 Ų | 54.9 | 58% | 0.583 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -64.4 | -17.5 | 175.1 | 71.6 | -168.5 | -179.5 | -160.1 | 0 | 113.9 | A48 F49 | A48-K51 WeakPolarHBondContact O-CE 3.19Å; F49-K51 PolarHBondContact O-N 3.31Å |
| 52 | F | 89.9 | Confident | 86.6 | Confident | 22 Ų | 22 | 60.5 Ų | 60.5 | 10% | 0.096 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -97 | -20.6 | 177.1 | -56.2 | -74.1 | 0 | 0 | 0 | 112.6 | A48 F49 E50 D82 R85 A86 K89 M90 | A48-F52 WeakPolarHBondContact O-CE2 3.27Å; F49-F52 PolarHBondContact O-N 3.35Å; E50-F52 PolarHBondContact O-N 3.26Å; E50-F52 VanDerWaalsContact O-N 3.17Å; F52-D82 WeakPolarHBondContact O-CB 3.3Å; F52-R85 VanDerWaalsContact C-NH2 3.32Å; F52-R85 PolarHBondContact O-NH1 3.17Å; F52-R85 PolarHBondContact O-NH2 3.43Å; F52-A86 HydrophobicContact CB-CB 3.67Å; F52-A86 HydrophobicContact CD2-CB 3.88Å; F52-A86 HydrophobicContact CG-CB 3.82Å; F52-K89 HydrophobicContact CD1-CB 4.32Å; F52-K89 HydrophobicContact CE1-CB 3.45Å; F52-K89 VanDerWaalsContact CE1-CB 3.45Å; F52-K89 HydrophobicContact CE1-CD 4.49Å; F52-K89 HydrophobicContact CE1-CG 3.88Å; F52-K89 HydrophobicContact CZ-CB 3.77Å; F52-M90 HydrophobicContact CD2-CG 4.2Å; F52-M90 HydrophobicContact CE2-CG 3.19Å; F52-M90 HydrophobicContact CE2-SD 3.79Å; F52-M90 HydrophobicContact CZ-CG 3.47Å; F52-M90 VanDerWaalsContact CZ-CG 3.47Å; F52-M90 HydrophobicContact CZ-SD 3.97Å |
| 53 | G | 88.8 | Confident | 85.6 | Confident | 15 Ų | 15 | 59.6 Ų | 59.6 | 16% | 0.155 | 30% | 0.299 | C | S | . | . | S | Bend | trans | 164.6 | 179.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E50 I55 | E50-G53 WeakPolarHBondContact CA-O 3.37Å; E50-G53 PolarHBondContact O-N 3.5Å; G53-I55 PolarHBondContact O-N 2.86Å |
| 54 | E | 89.1 | Confident | 84.3 | Confident | 133 Ų | 133 | 65 Ų | 65 | 62% | 0.621 | 30% | 0.304 | S | S | * | . | trans | -74.2 | 122.3 | -177.1 | -166.2 | 169.6 | 84.1 | 0 | 0 | 111.3 | H78 | E54-H78 PolarHBondContact O-N 2.85Å; E54-H78 IonicContact OE1-CD2 3.1Å; E54-H78 IonicContact OE1-CG 3.8Å; E54-H78 IonicContact OE1-NE2 3.76Å | ||
| 55 | I | 88.7 | Confident | 82.8 | Confident | 26 Ų | 26 | 71.3 Ų | 71.3 | 13% | 0.133 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 121.4 | 178.3 | -57.7 | 169.9 | 0 | 0 | 0 | 108.5 | R46 F49 E50 G53 I58 V75 R76 F77 | R46-I55 HydrophobicContact CB-CD1 4.39Å; R46-I55 HydrophobicContact CG-CD1 3.95Å; R46-I55 WeakPolarHBondContact O-CD1 3.43Å; F49-I55 HydrophobicContact CB-CD1 3.58Å; F49-I55 HydrophobicContact CB-CG1 4.33Å; E50-I55 HydrophobicContact CB-CD1 4.22Å; G53-I55 PolarHBondContact O-N 2.86Å; I55-I58 HydrophobicContact CD1-CD1 4.39Å; I55-I58 HydrophobicContact CG2-CD1 4Å; I55-I58 HydrophobicContact CG2-CG1 3.59Å; I55-V75 HydrophobicContact CD1-CG1 4.36Å; I55-V75 HydrophobicContact CG1-CG1 4.27Å; I55-V75 HydrophobicContact CG2-CG1 3.89Å; I55-R76 CarbonylContact C-O 3.54Å; I55-R76 WeakPolarHBondContact CA-O 3.27Å; I55-F77 HydrophobicContact CG1-CE1 4.17Å; I55-F77 HydrophobicContact CG1-CZ 4.23Å |
| 56 | G | 85.5 | Confident | 81.6 | Confident | 32 Ų | 32 | 75.8 Ų | 75.8 | 33% | 0.33 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | -41.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R76 H78 | G56-R76 PolarHBondContact N-O 2.88Å; G56-H78 VanDerWaalsContact CA-NE2 3.31Å; G56-H78 WeakPolarHBondContact CA-NE2 3.35Å |
| 57 | D | 85.1 | Confident | 80 | Confident | 39 Ų | 39 | 80.1 Ų | 80.1 | 21% | 0.209 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 148.2 | -179.6 | -171.1 | -126.9 | 0 | 0 | 0 | 111.6 | P23 R76 R109 | P23-D57 HydrophobicContact CG-CB 4.23Å; D57-R76 HydrophobicContact CB-CB 4.24Å; D57-R76 HydrophobicContact CB-CG 4.13Å; D57-R76 PolarHBondContact O-N 3.42Å; D57-R109 IonicContact OD1-NH2 2.83Å |
| 58 | I | 86.6 | Confident | 78.4 | Confident | 34 Ų | 34 | 76.7 Ų | 76.7 | 17% | 0.174 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 122.5 | 172.9 | -56.2 | 176.5 | 0 | 0 | 0 | 108.4 | P42 L45 R46 I55 I60 F74 V75 | P42-I58 HydrophobicContact CB-CB 4.37Å; P42-I58 HydrophobicContact CB-CG2 3.86Å; P42-I58 WeakPolarHBondContact O-CD1 3.36Å; L45-I58 HydrophobicContact CB-CD1 4.37Å; L45-I58 HydrophobicContact CB-CG2 4.48Å; L45-I58 HydrophobicContact CD1-CG2 4.11Å; R46-I58 HydrophobicContact CB-CD1 3.55Å; R46-I58 HydrophobicContact CG-CD1 4.07Å; I55-I58 HydrophobicContact CD1-CD1 4.39Å; I55-I58 HydrophobicContact CG2-CD1 4Å; I55-I58 HydrophobicContact CG2-CG1 3.59Å; I58-I60 HydrophobicContact CG2-CG1 4.31Å; I58-F74 CarbonylContact C-O 3.55Å; I58-F74 WeakPolarHBondContact CA-O 3.34Å; I58-V75 HydrophobicContact CG1-CG1 4.41Å; I58-V75 HydrophobicContact CG2-CG2 4.42Å |
| 59 | H | 83.2 | Confident | 77 | Confident | 41 Ų | 41 | 76.7 Ų | 76.7 | 19% | 0.19 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 119.9 | 178.8 | -177.1 | 62.6 | 0 | 0 | 0 | 110.9 | P61 F74 R109 | H59-P61 WeakPolarHBondContact O-CD 3.41Å; H59-F74 HydrophobicContact CB-CB 4.4Å; H59-F74 PolarHBondContact N-O 2.91Å; H59-F74 PolarHBondContact O-N 3.36Å; H59-R109 VanDerWaalsContact ND1-CZ 3.28Å; H59-R109 PolarHBondContact ND1-NH2 3.29Å |
| 60 | I | 84.1 | Confident | 76.1 | Confident | 23 Ų | 23 | 84 Ų | 84 | 12% | 0.118 | 38% | 0.382 | C | S | . | . | trans | -113.5 | 101.6 | 175.6 | -48.5 | -171.6 | 0 | 0 | 0 | 108 | P42 L45 I58 R62 A73 | P42-I60 HydrophobicContact CB-CD1 4.02Å; P42-I60 HydrophobicContact CB-CG1 4.46Å; P42-I60 HydrophobicContact CG-CD1 4.42Å; L45-I60 HydrophobicContact CD1-CD1 3.8Å; L45-I60 HydrophobicContact CD1-CG1 4.24Å; I58-I60 HydrophobicContact CG2-CG1 4.31Å; I60-R62 HydrophobicContact CG2-CG 4.03Å; I60-R62 PolarHBondContact O-N 3.32Å; I60-R62 VanDerWaalsContact O-N 3.13Å; I60-A73 HydrophobicContact CB-CB 4.42Å; I60-A73 HydrophobicContact CD1-CB 4.33Å; I60-A73 HydrophobicContact CG1-CB 3.79Å; I60-A73 HydrophobicContact CG2-CB 4.36Å | ||
| 61 | P | 74 | Confident | 75.6 | Confident | 30 Ų | 30 | 80.2 Ų | 80.2 | 20% | 0.195 | 37% | 0.368 | C | S | . | . | trans | -68.5 | 112.3 | 172 | 25.3 | -28.9 | 0 | 0 | 0 | 109 | H59 F72 F74 | H59-P61 WeakPolarHBondContact O-CD 3.41Å; P61-F72 HydrophobicContact CB-CE2 4.4Å; P61-F72 HydrophobicContact CG-CD2 3.8Å; P61-F72 HydrophobicContact CG-CE2 3.26Å; P61-F72 HydrophobicContact CG-CZ 3.92Å; P61-F74 HydrophobicContact CG-CD2 4.35Å; P61-F74 HydrophobicContact CG-CE2 4.04Å | ||
| 62 | R | 73 | Confident | 75.4 | Confident | 129 Ų | 129 | 75.9 Ų | 75.9 | 49% | 0.487 | 35% | 0.35 | S | S | . | . | B | Isolated β-bridge | trans | -105.1 | 138.8 | 176.9 | -64.6 | 176 | 178.7 | -178.2 | -4.6 | 108.6 | I60 R64 | I60-R62 HydrophobicContact CG2-CG 4.03Å; I60-R62 PolarHBondContact O-N 3.32Å; I60-R62 VanDerWaalsContact O-N 3.13Å; R62-R64 PolarHBondContact O-N 2.86Å |
| 63 | D | 65.7 | Low | 75.3 | Confident | 41 Ų | 41 | 74.8 Ų | 74.8 | 22% | 0.219 | 35% | 0.345 | C | S | . | . | trans | -74.3 | 126.8 | 176.5 | -148.6 | -74.1 | 0 | 0 | 0 | 109.8 | W65 R67 D68 R70 | D63-W65 VanDerWaalsContact C-N 3.27Å; D63-W65 PolarHBondContact O-N 3.18Å; D63-W65 PolarHBondContact OD1-N 2.92Å; D63-R67 VanDerWaalsContact O-CA 3.24Å; D63-R67 WeakPolarHBondContact O-CA 3.32Å; D63-R67 PolarHBondContact O-N 2.81Å; D63-D68 PolarHBondContact N-O 3.39Å; D63-R70 IonicContact OD2-CZ 3.39Å; D63-R70 IonicContact OD2-NE 3.52Å; D63-R70 PolarHBondContact OD2-NE 2.86Å; D63-R70 VanDerWaalsContact OD2-NE 3.13Å; D63-R70 IonicContact OD2-NH2 2.77Å; D63-R70 PolarHBondContact OD2-NH2 3.12Å | ||
| 64 | R | 59.4 | Low | 75.3 | Confident | 184 Ų | 184 | 76 Ų | 76 | 69% | 0.694 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -33.5 | -173.6 | 172 | -179.9 | -167.2 | -147.1 | 3.7 | 112 | R62 | R62-R64 PolarHBondContact O-N 2.86Š|
| 65 | W | 57.7 | Low | 75.3 | Confident | 208 Ų | 208 | 69.6 Ų | 69.6 | 79% | 0.788 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -46.6 | -171 | -95.4 | -85.7 | 0 | 0 | 0 | 112.4 | D63 | D63-W65 VanDerWaalsContact C-N 3.27Å; D63-W65 PolarHBondContact O-N 3.18Å; D63-W65 PolarHBondContact OD1-N 2.92Å |
| 66 | T | 62.8 | Low | 75.3 | Confident | 93 Ų | 93 | 69.2 Ų | 69.2 | 57% | 0.571 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -13.8 | -178.4 | 59.4 | 0 | 0 | 0 | 0 | 112.5 | D68 | T66-D68 PolarHBondContact O-N 2.79Å; T66-D68 WeakPolarHBondContact OG1-CB 3.38Å; T66-D68 PolarHBondContact OG1-N 2.76Å |
| 67 | R | 56.3 | Low | 75.5 | Confident | 225 Ų | 225 | 67.7 Ų | 67.7 | 85% | 0.849 | 30% | 0.297 | S | S | * | . | trans | 52.9 | 8.5 | -163.1 | -79 | -176.5 | -179.6 | -178.9 | 1.3 | 113.7 | D63 S69 | D63-R67 VanDerWaalsContact O-CA 3.24Å; D63-R67 WeakPolarHBondContact O-CA 3.32Å; D63-R67 PolarHBondContact O-N 2.81Å; R67-S69 PolarHBondContact O-N 3.07Å | ||
| 68 | D | 56.6 | Low | 75.6 | Confident | 94 Ų | 94 | 70.2 Ų | 70.2 | 50% | 0.503 | 31% | 0.308 | S | S | . | . | trans | -77.2 | 123 | 179 | -124.3 | -80.9 | 0 | 0 | 0 | 107.7 | D63 T66 R70 | D63-D68 PolarHBondContact N-O 3.39Å; T66-D68 PolarHBondContact O-N 2.79Å; T66-D68 WeakPolarHBondContact OG1-CB 3.38Å; T66-D68 PolarHBondContact OG1-N 2.76Å; D68-R70 PolarHBondContact O-N 2.97Å | ||
| 69 | S | 60.3 | Low | 75.6 | Confident | 13 Ų | 13 | 70.9 Ų | 70.9 | 9% | 0.091 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -58.7 | 129.1 | 166.5 | -67.1 | 0 | 0 | 0 | 0 | 106.2 | R67 G71 | R67-S69 PolarHBondContact O-N 3.07Å; S69-G71 PolarHBondContact O-N 2.65Å |
| 70 | R | 69.8 | Low | 75.8 | Confident | 153 Ų | 153 | 76.7 Ų | 76.7 | 58% | 0.577 | 34% | 0.336 | S | S | * | . | trans | -65 | 13.5 | -179.6 | -65.5 | -173.4 | 166.7 | -165.6 | -4.2 | 113.9 | D63 D68 F72 | D63-R70 IonicContact OD2-CZ 3.39Å; D63-R70 IonicContact OD2-NE 3.52Å; D63-R70 PolarHBondContact OD2-NE 2.86Å; D63-R70 VanDerWaalsContact OD2-NE 3.13Å; D63-R70 IonicContact OD2-NH2 2.77Å; D63-R70 PolarHBondContact OD2-NH2 3.12Å; D68-R70 PolarHBondContact O-N 2.97Å; R70-F72 HydrophobicContact CB-CD1 3.6Å; R70-F72 HydrophobicContact CB-CE1 3.25Å; R70-F72 HydrophobicContact CB-CZ 4.06Å; R70-F72 HydrophobicContact CG-CE1 4.14Å; R70-F72 VanDerWaalsContact O-CD1 3.27Å; R70-F72 WeakPolarHBondContact O-CD1 3.49Å; R70-F72 PolarHBondContact O-N 3.05Å | ||
| 71 | G | 80.6 | Confident | 76.1 | Confident | 15 Ų | 15 | 84.7 Ų | 84.7 | 16% | 0.155 | 36% | 0.364 | C | S | . | . | S | Bend | trans | 74.5 | 7.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | D34 N35 L36 S69 | D34-G71 CarbonylContact C-O 3.29Å; D34-G71 VanDerWaalsContact C-O 3.29Å; D34-G71 WeakPolarHBondContact CA-O 3.31Å; N35-G71 CarbonylContact C-O 3.58Å; N35-G71 WeakPolarHBondContact CA-O 3.23Å; N35-G71 PolarHBondContact N-O 3.32Å; L36-G71 PolarHBondContact N-O 3.1Å; S69-G71 PolarHBondContact O-N 2.65Å |
| 72 | F | 86.2 | Confident | 76.9 | Confident | 43 Ų | 43 | 85 Ų | 85 | 19% | 0.189 | 37% | 0.365 | C | S | . | . | trans | -138.3 | 153.9 | -180 | 68.1 | -92.6 | 0 | 0 | 0 | 114.8 | V33 P61 R70 F74 | V33-F72 CarbonylContact O-C 3.44Å; V33-F72 WeakPolarHBondContact O-CA 3.36Å; V33-F72 VanDerWaalsContact O-CB 3.28Å; V33-F72 WeakPolarHBondContact O-CB 3.41Å; P61-F72 HydrophobicContact CB-CE2 4.4Å; P61-F72 HydrophobicContact CG-CD2 3.8Å; P61-F72 HydrophobicContact CG-CE2 3.26Å; P61-F72 HydrophobicContact CG-CZ 3.92Å; R70-F72 HydrophobicContact CB-CD1 3.6Å; R70-F72 HydrophobicContact CB-CE1 3.25Å; R70-F72 HydrophobicContact CB-CZ 4.06Å; R70-F72 HydrophobicContact CG-CE1 4.14Å; R70-F72 VanDerWaalsContact O-CD1 3.27Å; R70-F72 WeakPolarHBondContact O-CD1 3.49Å; R70-F72 PolarHBondContact O-N 3.05Å; F72-F74 AromaticContact CD2-CE2 3.88Å; F72-F74 HydrophobicContact CD2-CE2 3.88Å; F72-F74 HydrophobicContact CD2-CZ 4.14Å; F72-F74 AromaticContact CE2-CE2 3.75Å; F72-F74 HydrophobicContact CE2-CE2 3.75Å; F72-F74 HydrophobicContact CE2-CZ 4.08Å | ||
| 73 | A | 88.2 | Confident | 77.7 | Confident | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 159.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | K32 V33 L36 L45 I60 | K32-A73 WeakPolarHBondContact CA-O 3.01Å; V33-A73 PolarHBondContact N-O 3.25Å; V33-A73 PolarHBondContact O-N 3.38Å; L36-A73 HydrophobicContact CD1-CB 3.43Å; L36-A73 VanDerWaalsContact CD1-CB 3.43Å; L45-A73 HydrophobicContact CD1-CB 3.4Å; L45-A73 VanDerWaalsContact CD1-CB 3.4Å; I60-A73 HydrophobicContact CB-CB 4.42Å; I60-A73 HydrophobicContact CD1-CB 4.33Å; I60-A73 HydrophobicContact CG1-CB 3.79Å; I60-A73 HydrophobicContact CG2-CB 4.36Å |
| 74 | F | 88.1 | Confident | 78.9 | Confident | 39 Ų | 39 | 81 Ų | 81 | 17% | 0.171 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 128.6 | 173.8 | -61.2 | -82.5 | 0 | 0 | 0 | 109.6 | L31 K32 I58 H59 P61 F72 A105 | L31-F74 CarbonylContact O-C 3.46Å; L31-F74 VanDerWaalsContact O-CA 3.3Å; L31-F74 WeakPolarHBondContact O-CA 3.3Å; K32-F74 HydrophobicContact CB-CD1 3.97Å; K32-F74 HydrophobicContact CB-CE1 3.84Å; K32-F74 HydrophobicContact CD-CE1 4.13Å; K32-F74 HydrophobicContact CG-CD1 4.21Å; K32-F74 HydrophobicContact CG-CE1 3.78Å; K32-F74 HydrophobicContact CG-CZ 4.39Å; I58-F74 CarbonylContact C-O 3.55Å; I58-F74 WeakPolarHBondContact CA-O 3.34Å; H59-F74 HydrophobicContact CB-CB 4.4Å; H59-F74 PolarHBondContact N-O 2.91Å; H59-F74 PolarHBondContact O-N 3.36Å; P61-F74 HydrophobicContact CG-CD2 4.35Å; P61-F74 HydrophobicContact CG-CE2 4.04Å; F72-F74 AromaticContact CD2-CE2 3.88Å; F72-F74 HydrophobicContact CD2-CE2 3.88Å; F72-F74 HydrophobicContact CD2-CZ 4.14Å; F72-F74 AromaticContact CE2-CE2 3.75Å; F72-F74 HydrophobicContact CE2-CE2 3.75Å; F72-F74 HydrophobicContact CE2-CZ 4.08Å; F74-A105 HydrophobicContact CD1-CB 4.04Å; F74-A105 HydrophobicContact CE1-CB 4.24Å |
| 75 | V | 89.5 | Confident | 80.5 | Confident | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 124.1 | 177.1 | -178.5 | 0 | 0 | 0 | 0 | 107.8 | L31 V33 L45 F49 I55 I58 F77 | L31-V75 PolarHBondContact N-O 3.37Å; L31-V75 PolarHBondContact O-N 3.32Å; V33-V75 HydrophobicContact CG2-CG2 4.04Å; L45-V75 HydrophobicContact CB-CG2 4.48Å; L45-V75 HydrophobicContact CD1-CG2 4.45Å; F49-V75 HydrophobicContact CB-CG1 4.36Å; F49-V75 HydrophobicContact CD2-CG2 4.31Å; F49-V75 HydrophobicContact CE2-CG2 4.46Å; F49-V75 HydrophobicContact CG-CG1 4.38Å; I55-V75 HydrophobicContact CD1-CG1 4.36Å; I55-V75 HydrophobicContact CG1-CG1 4.27Å; I55-V75 HydrophobicContact CG2-CG1 3.89Å; I58-V75 HydrophobicContact CG1-CG1 4.41Å; I58-V75 HydrophobicContact CG2-CG2 4.42Å; V75-F77 HydrophobicContact CG1-CD2 4.2Å; V75-F77 HydrophobicContact CG1-CE2 3.72Å; V75-F77 HydrophobicContact CG1-CZ 4.43Å |
| 76 | R | 88.2 | Confident | 82.1 | Confident | 18 Ų | 18 | 67.7 Ų | 67.7 | 7% | 0.068 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 130.9 | 179.9 | -49.9 | -172.4 | 91.5 | 157.1 | 5.5 | 109.9 | I25 T29 S30 I55 G56 D57 | I25-R76 VanDerWaalsContact CD1-NH1 3.35Å; T29-R76 WeakPolarHBondContact O-CA 3.5Å; S30-R76 PolarHBondContact OG-NE 3.15Å; S30-R76 PolarHBondContact OG-NH2 2.83Å; I55-R76 CarbonylContact C-O 3.54Å; I55-R76 WeakPolarHBondContact CA-O 3.27Å; G56-R76 PolarHBondContact N-O 2.88Å; D57-R76 HydrophobicContact CB-CB 4.24Å; D57-R76 HydrophobicContact CB-CG 4.13Å; D57-R76 PolarHBondContact O-N 3.42Å |
| 77 | F | 89.8 | Confident | 83.4 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 146.3 | 175.1 | -80 | -92.5 | 0 | 0 | 0 | 110.6 | M28 T29 L31 F49 I55 V75 S79 D82 A83 A86 | M28-F77 WeakPolarHBondContact CA-O 2.96Å; M28-F77 WeakPolarHBondContact CB-O 3.46Å; T29-F77 PolarHBondContact N-O 2.82Å; T29-F77 PolarHBondContact O-N 2.92Å; L31-F77 HydrophobicContact CD1-CD2 3.91Å; L31-F77 HydrophobicContact CD1-CE2 3.65Å; L31-F77 HydrophobicContact CG-CD2 4.28Å; L31-F77 HydrophobicContact CG-CE2 4.45Å; F49-F77 HydrophobicContact CB-CZ 3.96Å; F49-F77 HydrophobicContact CD1-CE2 4.08Å; F49-F77 AromaticContact CD1-CZ 3.99Å; F49-F77 HydrophobicContact CD1-CZ 3.99Å; F49-F77 HydrophobicContact CG-CZ 4.44Å; I55-F77 HydrophobicContact CG1-CE1 4.17Å; I55-F77 HydrophobicContact CG1-CZ 4.23Å; V75-F77 HydrophobicContact CG1-CD2 4.2Å; V75-F77 HydrophobicContact CG1-CE2 3.72Å; V75-F77 HydrophobicContact CG1-CZ 4.43Å; F77-S79 VanDerWaalsContact C-N 3.3Å; F77-D82 HydrophobicContact CD1-CB 3.98Å; F77-D82 HydrophobicContact CE1-CB 4.45Å; F77-A83 HydrophobicContact CB-CB 3.94Å; F77-A83 HydrophobicContact CD2-CB 3.99Å; F77-A83 HydrophobicContact CG-CB 4.07Å; F77-A86 HydrophobicContact CE2-CB 4.16Å; F77-A86 HydrophobicContact CZ-CB 3.84Å |
| 78 | H | 87.1 | Confident | 85 | Confident | 91 Ų | 91 | 57.5 Ų | 57.5 | 42% | 0.421 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -65.7 | -35.1 | 172.6 | -78.5 | -92.8 | 0 | 0 | 0 | 112.3 | E54 G56 | E54-H78 PolarHBondContact O-N 2.85Å; E54-H78 IonicContact OE1-CD2 3.1Å; E54-H78 IonicContact OE1-CG 3.8Å; E54-H78 IonicContact OE1-NE2 3.76Å; G56-H78 VanDerWaalsContact CA-NE2 3.31Å; G56-H78 WeakPolarHBondContact CA-NE2 3.35Å |
| 79 | S | 87.2 | Confident | 86.7 | Confident | 48 Ų | 48 | 60 Ų | 60 | 34% | 0.336 | 28% | 0.28 | S | S | . | . | trans | -116.8 | 134.9 | -177.7 | -172.1 | 0 | 0 | 0 | 0 | 111.9 | F77 R81 D82 A83 | F77-S79 VanDerWaalsContact C-N 3.3Å; S79-R81 VanDerWaalsContact C-N 3.28Å; S79-R81 PolarHBondContact O-N 2.76Å; S79-D82 WeakPolarHBondContact CB-OD2 3.47Å; S79-D82 PolarHBondContact O-N 3.19Å; S79-A83 PolarHBondContact O-N 3.2Å | ||
| 80 | R | 87.4 | Confident | 88.1 | Confident | 164 Ų | 164 | 60 Ų | 60 | 62% | 0.619 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -59.3 | -40.8 | 174.1 | -174.7 | 175 | 68.9 | 173.2 | -0.9 | 112.2 | T29 D82 A83 E84 | T29-R80 HydrophobicContact CG2-CG 4.31Å; T29-R80 WeakPolarHBondContact OG1-CA 3.41Å; T29-R80 VanDerWaalsContact OG1-CB 3.23Å; T29-R80 WeakPolarHBondContact OG1-CB 3.43Å; R80-D82 VanDerWaalsContact C-N 3.28Å; R80-D82 PolarHBondContact O-N 2.81Å; R80-A83 WeakPolarHBondContact O-CB 3.35Å; R80-A83 PolarHBondContact O-N 3.23Å; R80-E84 HydrophobicContact CG-CG 4.31Å; R80-E84 WeakPolarHBondContact O-CG 3.49Å; R80-E84 PolarHBondContact O-N 2.83Å |
| 81 | R | 90.5 | Very high | 89.1 | Confident | 191 Ų | 191 | 55.6 Ų | 55.6 | 72% | 0.721 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -63.7 | -36.6 | -177 | -167.4 | 177.6 | 173.7 | -113.9 | 1.7 | 111.8 | S79 R85 | S79-R81 VanDerWaalsContact C-N 3.28Å; S79-R81 PolarHBondContact O-N 2.76Å; R81-R85 WeakPolarHBondContact O-CB 3.21Å; R81-R85 PolarHBondContact O-N 3.47Å; R81-R85 VanDerWaalsContact O-N 3.1Å |
| 82 | D | 91.1 | Very high | 89.4 | Confident | 37 Ų | 37 | 56.2 Ų | 56.2 | 20% | 0.198 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71.8 | -39.5 | 176.1 | -66.4 | -35.2 | 0 | 0 | 0 | 111.6 | F52 F77 S79 R80 R85 A86 | F52-D82 WeakPolarHBondContact O-CB 3.3Å; F77-D82 HydrophobicContact CD1-CB 3.98Å; F77-D82 HydrophobicContact CE1-CB 4.45Å; S79-D82 WeakPolarHBondContact CB-OD2 3.47Å; S79-D82 PolarHBondContact O-N 3.19Å; R80-D82 VanDerWaalsContact C-N 3.28Å; R80-D82 PolarHBondContact O-N 2.81Å; D82-R85 PolarHBondContact O-N 2.81Å; D82-R85 IonicContact OD1-CZ 3.56Å; D82-R85 IonicContact OD1-NH1 3.27Å; D82-R85 PolarHBondContact OD1-NH1 2.78Å; D82-A86 WeakPolarHBondContact O-CB 3.16Å; D82-A86 PolarHBondContact O-N 3.03Å |
| 83 | A | 90.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T29 L31 F77 S79 R80 R85 A86 M87 | T29-A83 HydrophobicContact CG2-CB 3.4Å; T29-A83 VanDerWaalsContact CG2-CB 3.4Å; L31-A83 HydrophobicContact CD1-CB 4.12Å; L31-A83 WeakPolarHBondContact CD1-O 3.3Å; L31-A83 HydrophobicContact CD2-CB 4.05Å; L31-A83 HydrophobicContact CG-CB 4.01Å; F77-A83 HydrophobicContact CB-CB 3.94Å; F77-A83 HydrophobicContact CD2-CB 3.99Å; F77-A83 HydrophobicContact CG-CB 4.07Å; S79-A83 PolarHBondContact O-N 3.2Å; R80-A83 WeakPolarHBondContact O-CB 3.35Å; R80-A83 PolarHBondContact O-N 3.23Å; A83-R85 VanDerWaalsContact C-N 3.32Å; A83-R85 PolarHBondContact O-N 3.12Å; A83-A86 PolarHBondContact O-N 2.84Å; A83-M87 VanDerWaalsContact O-CB 3.32Å; A83-M87 WeakPolarHBondContact O-CB 3.35Å; A83-M87 PolarHBondContact O-N 2.89Å |
| 84 | E | 90.4 | Very high | 89.4 | Confident | 86 Ų | 86 | 70.9 Ų | 70.9 | 40% | 0.402 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 176.6 | -73.4 | 177.2 | 140.1 | 0 | 0 | 111.6 | R80 M87 G88 M104 | R80-E84 HydrophobicContact CG-CG 4.31Å; R80-E84 WeakPolarHBondContact O-CG 3.49Å; R80-E84 PolarHBondContact O-N 2.83Å; E84-M87 HydrophobicContact CB-CE 4.49Å; E84-M87 HydrophobicContact CG-CE 4.18Å; E84-M87 PolarHBondContact O-N 3.23Å; E84-G88 PolarHBondContact O-N 2.97Å; E84-M104 HydrophobicContact CG-CE 3.43Å; E84-M104 VanDerWaalsContact CG-CE 3.43Å; E84-M104 WeakPolarHBondContact OE1-CE 3.46Å |
| 85 | R | 91.8 | Very high | 89.2 | Confident | 111 Ų | 111 | 70.5 Ų | 70.5 | 42% | 0.419 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.2 | -41.6 | 177.3 | -157.4 | 175.5 | 80.8 | -105.9 | 7.8 | 111.9 | F52 R81 D82 A83 K89 | F52-R85 VanDerWaalsContact C-NH2 3.32Å; F52-R85 PolarHBondContact O-NH1 3.17Å; F52-R85 PolarHBondContact O-NH2 3.43Å; R81-R85 WeakPolarHBondContact O-CB 3.21Å; R81-R85 PolarHBondContact O-N 3.47Å; R81-R85 VanDerWaalsContact O-N 3.1Å; D82-R85 PolarHBondContact O-N 2.81Å; D82-R85 IonicContact OD1-CZ 3.56Å; D82-R85 IonicContact OD1-NH1 3.27Å; D82-R85 PolarHBondContact OD1-NH1 2.78Å; A83-R85 VanDerWaalsContact C-N 3.32Å; A83-R85 PolarHBondContact O-N 3.12Å; R85-K89 WeakPolarHBondContact O-CB 3.33Å; R85-K89 PolarHBondContact O-N 3.07Å; R85-K89 VanDerWaalsContact O-N 3.12Å |
| 86 | A | 91.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.5 | -46.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L31 F49 F52 F77 D82 A83 K89 M90 | L31-A86 HydrophobicContact CD1-CB 4.09Å; F49-A86 HydrophobicContact CD1-CB 4.04Å; F49-A86 HydrophobicContact CE1-CB 4.33Å; F52-A86 HydrophobicContact CB-CB 3.67Å; F52-A86 HydrophobicContact CD2-CB 3.88Å; F52-A86 HydrophobicContact CG-CB 3.82Å; F77-A86 HydrophobicContact CE2-CB 4.16Å; F77-A86 HydrophobicContact CZ-CB 3.84Å; D82-A86 WeakPolarHBondContact O-CB 3.16Å; D82-A86 PolarHBondContact O-N 3.03Å; A83-A86 PolarHBondContact O-N 2.84Å; A86-K89 PolarHBondContact O-N 2.87Å; A86-M90 VanDerWaalsContact O-CB 3.27Å; A86-M90 WeakPolarHBondContact O-CB 3.37Å; A86-M90 PolarHBondContact O-N 3.01Å |
| 87 | M | 91.4 | Very high | 88.5 | Confident | 38 Ų | 38 | 76.5 Ų | 76.5 | 19% | 0.187 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -56.6 | -55.6 | 175.4 | 176.8 | 171.7 | 43.2 | 0 | 0 | 110.9 | L31 A83 E84 K89 M90 D91 I102 M104 | L31-M87 HydrophobicContact CD2-CB 4.24Å; L31-M87 HydrophobicContact CD2-CE 4.47Å; L31-M87 HydrophobicContact CD2-SD 4.4Å; A83-M87 VanDerWaalsContact O-CB 3.32Å; A83-M87 WeakPolarHBondContact O-CB 3.35Å; A83-M87 PolarHBondContact O-N 2.89Å; E84-M87 HydrophobicContact CB-CE 4.49Å; E84-M87 HydrophobicContact CG-CE 4.18Å; E84-M87 PolarHBondContact O-N 3.23Å; M87-K89 VanDerWaalsContact C-N 3.27Å; M87-K89 PolarHBondContact O-N 3.32Å; M87-M90 PolarHBondContact O-N 2.76Å; M87-D91 WeakPolarHBondContact O-CA 3.48Å; M87-D91 WeakPolarHBondContact O-CB 3.46Å; M87-D91 PolarHBondContact O-N 2.78Å; M87-I102 HydrophobicContact CB-CG2 4Å; M87-I102 HydrophobicContact CG-CB 4.39Å; M87-I102 HydrophobicContact CG-CG2 4.09Å; M87-I102 WeakPolarHBondContact CG-O 3.4Å; M87-M104 HydrophobicContact CE-CE 3.9Å; M87-M104 HydrophobicContact CE-CG 3.74Å; M87-M104 HydrophobicContact SD-CG 4.1Å |
| 88 | G | 90.5 | Very high | 88.3 | Confident | 67 Ų | 67 | 82.2 Ų | 82.2 | 69% | 0.691 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -64.1 | -25.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | E84 | E84-G88 PolarHBondContact O-N 2.97Å |
| 89 | K | 91.1 | Very high | 88.4 | Confident | 145 Ų | 145 | 83.5 Ų | 83.5 | 63% | 0.63 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -91.2 | -32.6 | 179.8 | -83.1 | -88.6 | -178.4 | 175.5 | 0 | 114 | F52 R85 A86 M87 R93 | F52-K89 HydrophobicContact CD1-CB 4.32Å; F52-K89 HydrophobicContact CE1-CB 3.45Å; F52-K89 VanDerWaalsContact CE1-CB 3.45Å; F52-K89 HydrophobicContact CE1-CD 4.49Å; F52-K89 HydrophobicContact CE1-CG 3.88Å; F52-K89 HydrophobicContact CZ-CB 3.77Å; R85-K89 WeakPolarHBondContact O-CB 3.33Å; R85-K89 PolarHBondContact O-N 3.07Å; R85-K89 VanDerWaalsContact O-N 3.12Å; A86-K89 PolarHBondContact O-N 2.87Å; M87-K89 VanDerWaalsContact C-N 3.27Å; M87-K89 PolarHBondContact O-N 3.32Å; K89-R93 VanDerWaalsContact O-CG 3.27Å; K89-R93 WeakPolarHBondContact O-CG 3.39Å |
| 90 | M | 89.5 | Confident | 88.6 | Confident | 13 Ų | 13 | 81.3 Ų | 81.3 | 6% | 0.064 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -103 | -18.2 | -175.2 | -70.2 | -75.4 | -66.4 | 0 | 0 | 112.9 | A48 F49 F52 A86 M87 G92 R93 I100 I102 | A48-M90 HydrophobicContact CB-CE 3.98Å; F49-M90 HydrophobicContact CE1-CB 4.4Å; F52-M90 HydrophobicContact CD2-CG 4.2Å; F52-M90 HydrophobicContact CE2-CG 3.19Å; F52-M90 HydrophobicContact CE2-SD 3.79Å; F52-M90 HydrophobicContact CZ-CG 3.47Å; F52-M90 VanDerWaalsContact CZ-CG 3.47Å; F52-M90 HydrophobicContact CZ-SD 3.97Å; A86-M90 VanDerWaalsContact O-CB 3.27Å; A86-M90 WeakPolarHBondContact O-CB 3.37Å; A86-M90 PolarHBondContact O-N 3.01Å; M87-M90 PolarHBondContact O-N 2.76Å; M90-G92 PolarHBondContact O-N 3.45Å; M90-R93 VanDerWaalsContact O-CB 3.3Å; M90-R93 WeakPolarHBondContact O-CB 3.5Å; M90-R93 PolarHBondContact O-N 2.69Å; M90-I100 HydrophobicContact CB-CD1 4.4Å; M90-I100 HydrophobicContact CE-CD1 3.84Å; M90-I102 VanDerWaalsContact C-CD1 3.49Å; M90-I102 HydrophobicContact CB-CD1 3.23Å; M90-I102 HydrophobicContact CG-CD1 4.49Å |
| 91 | D | 90.4 | Very high | 88.7 | Confident | 62 Ų | 62 | 78.4 Ų | 78.4 | 33% | 0.332 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 130.7 | 175 | -174.6 | 50.1 | 0 | 0 | 0 | 110.3 | M87 R93 H101 I102 | M87-D91 WeakPolarHBondContact O-CA 3.48Å; M87-D91 WeakPolarHBondContact O-CB 3.46Å; M87-D91 PolarHBondContact O-N 2.78Å; D91-R93 PolarHBondContact O-N 2.81Å; D91-H101 WeakPolarHBondContact OD1-CA 3.24Å; D91-H101 IonicContact OD1-CE1 2.74Å; D91-H101 PolarHBondContact OD1-CE1 3.38Å; D91-H101 IonicContact OD1-CG 3.45Å; D91-H101 IonicContact OD1-ND1 3.69Å; D91-H101 PolarHBondContact OD1-ND1 2.84Å; D91-H101 IonicContact OD2-CE1 3.88Å; D91-H101 IonicContact OD2-ND1 3.88Å; D91-I102 HydrophobicContact CB-CB 4.24Å; D91-I102 PolarHBondContact OD1-N 3.3Å |
| 92 | G | 88.2 | Confident | 88.8 | Confident | 27 Ų | 27 | 69.5 Ų | 69.5 | 28% | 0.278 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 5.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | M90 Q99 I100 | M90-G92 PolarHBondContact O-N 3.45Å; G92-Q99 WeakPolarHBondContact O-CG 3.39Å; G92-Q99 PolarHBondContact O-NE2 3.13Å; G92-I100 WeakPolarHBondContact CA-O 3.35Å; G92-I100 PolarHBondContact N-O 2.73Å |
| 93 | R | 88.8 | Confident | 88.8 | Confident | 157 Ų | 157 | 70.6 Ų | 70.6 | 59% | 0.592 | 35% | 0.352 | S | S | * | . | trans | -79.4 | 155.6 | 174 | -69.5 | -70.6 | -74.4 | -141.5 | -3.3 | 111.3 | K89 M90 D91 Q99 I100 | K89-R93 VanDerWaalsContact O-CG 3.27Å; K89-R93 WeakPolarHBondContact O-CG 3.39Å; M90-R93 VanDerWaalsContact O-CB 3.3Å; M90-R93 WeakPolarHBondContact O-CB 3.5Å; M90-R93 PolarHBondContact O-N 2.69Å; D91-R93 PolarHBondContact O-N 2.81Å; R93-Q99 CarbonylContact O-C 3.54Å; R93-Q99 WeakPolarHBondContact O-CA 3.28Å; R93-I100 WeakPolarHBondContact O-CG1 3.08Å; R93-I100 PolarHBondContact O-N 2.79Å | ||
| 94 | R | 85.6 | Confident | 88.6 | Confident | 194 Ų | 194 | 74.4 Ų | 74.4 | 73% | 0.732 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 122.5 | 173.8 | -58.7 | -177.1 | 86.9 | 160.8 | 4.8 | 110.3 | G97 R98 | R94-G97 PolarHBondContact NE-O 2.94Å; R94-G97 PolarHBondContact NH2-O 3.26Å; R94-R98 CarbonylContact C-O 3.57Å; R94-R98 WeakPolarHBondContact CA-O 3.45Å |
| 95 | L | 82.2 | Confident | 88.2 | Confident | 32 Ų | 32 | 71.4 Ų | 71.4 | 17% | 0.168 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 125.2 | 171.2 | -166 | 76.8 | 0 | 0 | 0 | 107.6 | L36 T40 L45 A48 G97 R98 I100 | L36-L95 HydrophobicContact CD2-CD2 3.72Å; T40-L95 HydrophobicContact CG2-CD2 3.64Å; L45-L95 HydrophobicContact CD2-CD2 4.37Å; A48-L95 HydrophobicContact CB-CD1 4.41Å; L95-G97 PolarHBondContact O-N 2.93Å; L95-R98 PolarHBondContact N-O 3.24Å; L95-R98 PolarHBondContact O-N 2.76Å; L95-R98 VanDerWaalsContact O-O 3.05Å; L95-I100 HydrophobicContact CB-CD1 4.38Å; L95-I100 HydrophobicContact CB-CG1 4.5Å; L95-I100 HydrophobicContact CB-CG2 3.67Å; L95-I100 HydrophobicContact CD2-CG2 4.24Å |
| 96 | D | 81 | Confident | 87 | Confident | 91 Ų | 91 | 77.4 Ų | 77.4 | 49% | 0.487 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 33.6 | -177.5 | -108.1 | -97.6 | 0 | 0 | 0 | 113.8 | R98 | D96-R98 PolarHBondContact O-N 2.84Š|
| 97 | G | 83.8 | Confident | 85.4 | Confident | 52 Ų | 52 | 86.4 Ų | 86.4 | 54% | 0.536 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | -10.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | R94 L95 | R94-G97 PolarHBondContact NE-O 2.94Å; R94-G97 PolarHBondContact NH2-O 3.26Å; L95-G97 PolarHBondContact O-N 2.93Å |
| 98 | R | 84 | Confident | 83.7 | Confident | 121 Ų | 121 | 87 Ų | 87 | 46% | 0.457 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 144.4 | 176.2 | -78.2 | -176.7 | 151.8 | 127.2 | -6.2 | 111.9 | R94 L95 D96 I100 | R94-R98 CarbonylContact C-O 3.57Å; R94-R98 WeakPolarHBondContact CA-O 3.45Å; L95-R98 PolarHBondContact N-O 3.24Å; L95-R98 PolarHBondContact O-N 2.76Å; L95-R98 VanDerWaalsContact O-O 3.05Å; D96-R98 PolarHBondContact O-N 2.84Å; R98-I100 PolarHBondContact O-N 3.41Å |
| 99 | Q | 89.3 | Confident | 81.8 | Confident | 118 Ų | 118 | 89.1 Ų | 89.1 | 55% | 0.551 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 112.4 | 177.3 | -160.4 | 173.6 | 36 | 0 | 0 | 109.5 | N35 G92 R93 | N35-Q99 WeakPolarHBondContact CB-O 3.38Å; N35-Q99 PolarHBondContact ND2-O 2.73Å; G92-Q99 WeakPolarHBondContact O-CG 3.39Å; G92-Q99 PolarHBondContact O-NE2 3.13Å; R93-Q99 CarbonylContact O-C 3.54Å; R93-Q99 WeakPolarHBondContact O-CA 3.28Å |
| 100 | I | 91.5 | Very high | 79.8 | Confident | 1 Ų | 1 | 86.6 Ų | 86.6 | 1% | 0.005 | 42% | 0.42 | C | S | . | . | trans | -81.7 | 146.4 | -179.3 | 60.1 | 167 | 0 | 0 | 0 | 110.5 | V33 D34 L36 M90 G92 R93 L95 R98 I102 | V33-I100 HydrophobicContact CG1-CB 4.21Å; V33-I100 HydrophobicContact CG1-CD1 4.27Å; D34-I100 WeakPolarHBondContact O-CA 3.48Å; L36-I100 HydrophobicContact CD2-CG2 3.72Å; L36-I100 HydrophobicContact CG-CG2 4.37Å; M90-I100 HydrophobicContact CB-CD1 4.4Å; M90-I100 HydrophobicContact CE-CD1 3.84Å; G92-I100 WeakPolarHBondContact CA-O 3.35Å; G92-I100 PolarHBondContact N-O 2.73Å; R93-I100 WeakPolarHBondContact O-CG1 3.08Å; R93-I100 PolarHBondContact O-N 2.79Å; L95-I100 HydrophobicContact CB-CD1 4.38Å; L95-I100 HydrophobicContact CB-CG1 4.5Å; L95-I100 HydrophobicContact CB-CG2 3.67Å; L95-I100 HydrophobicContact CD2-CG2 4.24Å; R98-I100 PolarHBondContact O-N 3.41Å; I100-I102 HydrophobicContact CD1-CD1 3.98Å; I100-I102 HydrophobicContact CD1-CG1 4.33Å | ||
| 101 | H | 90.8 | Very high | 77.8 | Confident | 104 Ų | 104 | 92.4 Ų | 92.4 | 48% | 0.481 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 131.2 | 175.6 | -148.4 | 28.9 | 0 | 0 | 0 | 109.5 | V33 D34 D91 | V33-H101 CarbonylContact C-O 3.5Å; V33-H101 WeakPolarHBondContact CA-O 3.44Å; D34-H101 HydrophobicContact CB-CB 4.3Å; D34-H101 PolarHBondContact N-O 3.4Å; D34-H101 PolarHBondContact O-N 3.18Å; D91-H101 WeakPolarHBondContact OD1-CA 3.24Å; D91-H101 IonicContact OD1-CE1 2.74Å; D91-H101 PolarHBondContact OD1-CE1 3.38Å; D91-H101 IonicContact OD1-CG 3.45Å; D91-H101 IonicContact OD1-ND1 3.69Å; D91-H101 PolarHBondContact OD1-ND1 2.84Å; D91-H101 IonicContact OD2-CE1 3.88Å; D91-H101 IonicContact OD2-ND1 3.88Å |
| 102 | I | 92.3 | Very high | 75.9 | Confident | 3 Ų | 3 | 93.6 Ų | 93.6 | 2% | 0.015 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 123.7 | -174 | -54.5 | 171.4 | 0 | 0 | 0 | 108.7 | L31 K32 V33 F49 M87 M90 D91 I100 | L31-I102 HydrophobicContact CB-CG2 4.08Å; L31-I102 HydrophobicContact CD1-CG2 4.02Å; L31-I102 HydrophobicContact CD2-CG2 4.32Å; L31-I102 HydrophobicContact CG-CG2 4.38Å; K32-I102 WeakPolarHBondContact O-CA 3.41Å; V33-I102 HydrophobicContact CG1-CG1 4.2Å; V33-I102 HydrophobicContact CG2-CG1 4.35Å; F49-I102 HydrophobicContact CE1-CD1 3.68Å; F49-I102 HydrophobicContact CZ-CD1 3.5Å; F49-I102 HydrophobicContact CZ-CG1 4.26Å; M87-I102 HydrophobicContact CB-CG2 4Å; M87-I102 HydrophobicContact CG-CB 4.39Å; M87-I102 HydrophobicContact CG-CG2 4.09Å; M87-I102 WeakPolarHBondContact CG-O 3.4Å; M90-I102 VanDerWaalsContact C-CD1 3.49Å; M90-I102 HydrophobicContact CB-CD1 3.23Å; M90-I102 HydrophobicContact CG-CD1 4.49Å; D91-I102 HydrophobicContact CB-CB 4.24Å; D91-I102 PolarHBondContact OD1-N 3.3Å; I100-I102 HydrophobicContact CD1-CD1 3.98Å; I100-I102 HydrophobicContact CD1-CG1 4.33Å |
| 103 | V | 90.2 | Very high | 74.1 | Confident | 61 Ų | 61 | 98.1 Ų | 98.1 | 37% | 0.37 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 153.5 | 179.2 | -60.5 | 0 | 0 | 0 | 0 | 110.3 | K32 A105 | K32-V103 HydrophobicContact CB-CG2 3.87Å; K32-V103 HydrophobicContact CD-CG2 4.27Å; K32-V103 HydrophobicContact CG-CG2 4.4Å; K32-V103 PolarHBondContact N-O 2.72Å; K32-V103 PolarHBondContact O-N 3.29Å; V103-A105 PolarHBondContact O-N 3.45Å |
| 104 | M | 87 | Confident | 72.3 | Confident | 80 Ų | 80 | 99.1 Ų | 99.1 | 39% | 0.394 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 122.5 | 168.8 | -76 | -169.8 | 173.5 | 0 | 0 | 109.7 | E84 M87 R106 | E84-M104 HydrophobicContact CG-CE 3.43Å; E84-M104 VanDerWaalsContact CG-CE 3.43Å; E84-M104 WeakPolarHBondContact OE1-CE 3.46Å; M87-M104 HydrophobicContact CE-CE 3.9Å; M87-M104 HydrophobicContact CE-CG 3.74Å; M87-M104 HydrophobicContact SD-CG 4.1Å; M104-R106 PolarHBondContact O-N 3.4Å |
| 105 | A | 81.1 | Confident | 70.3 | Confident | 22 Ų | 22 | 92.6 Ų | 92.6 | 18% | 0.182 | 47% | 0.471 | C | S | . | . | trans | -73.1 | 113.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | S30 K32 F74 V103 Y107 | S30-A105 WeakPolarHBondContact O-CB 3.27Å; S30-A105 PolarHBondContact O-N 2.7Å; K32-A105 HydrophobicContact CB-CB 4.11Å; F74-A105 HydrophobicContact CD1-CB 4.04Å; F74-A105 HydrophobicContact CE1-CB 4.24Å; V103-A105 PolarHBondContact O-N 3.45Å; A105-Y107 PolarHBondContact O-N 3.1Å | ||
| 106 | R | 67.1 | Low | 68.6 | Low | 238 Ų | 238 | 102.5 Ų | 102.5 | 90% | 0.898 | 51% | 0.506 | S | S | * | . | trans | -75.7 | -12.4 | 174.8 | -63.9 | -178.9 | 73.5 | 177.3 | 3.3 | 113.2 | M104 | M104-R106 PolarHBondContact O-N 3.4Š| ||
| 107 | Y | 56.6 | Low | 66.8 | Low | 189 Ų | 189 | 105.2 Ų | 105.2 | 74% | 0.741 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -112 | 123.5 | -176.7 | -67.9 | -83 | 0 | 0 | 0 | 110.5 | A105 | A105-Y107 PolarHBondContact O-N 3.1Š|
| 108 | G | 55.8 | Low | 65 | Low | 49 Ų | 49 | 104.9 Ų | 104.9 | 51% | 0.505 | 52% | 0.517 | S | S | . | . | trans | -57.9 | 147.9 | 156.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | P110 | G108-P110 VanDerWaalsContact O-N 3.13Š| ||
| 109 | R | 51.4 | Low | 63.6 | Low | 113 Ų | 113 | 105.9 Ų | 105.9 | 43% | 0.426 | 53% | 0.532 | S | S | . | . | trans | -41.7 | 121.2 | -179.5 | -165.3 | -157.9 | -114.8 | -132.1 | 10.3 | 109.3 | D57 H59 I111 | D57-R109 IonicContact OD1-NH2 2.83Å; H59-R109 VanDerWaalsContact ND1-CZ 3.28Å; H59-R109 PolarHBondContact ND1-NH2 3.29Å; R109-I111 PolarHBondContact O-N 2.83Å; R109-I111 VanDerWaalsContact O-N 3.12Å | ||
| 110 | P | 48.3 | Very low | 62 | Low | 92 Ų | 92 | 105.9 Ų | 105.9 | 60% | 0.597 | 54% | 0.536 | S | S | * | . | trans | -58.3 | 123.7 | 165.5 | 24.5 | -29.9 | 0 | 0 | 0 | 105.8 | G108 D112 | G108-P110 VanDerWaalsContact O-N 3.13Å; P110-D112 PolarHBondContact O-N 3.04Å | ||
| 111 | I | 48.5 | Very low | 59.9 | Low | 134 Ų | 134 | 116.3 Ų | 116.3 | 69% | 0.687 | 58% | 0.576 | S | S | * | * | trans | -60.5 | 108.4 | 171.3 | -61.2 | 166 | 0 | 0 | 0 | 103.5 | R109 D113 | R109-I111 PolarHBondContact O-N 2.83Å; R109-I111 VanDerWaalsContact O-N 3.12Å; I111-D113 PolarHBondContact O-N 2.96Å; I111-D113 VanDerWaalsContact O-OD2 3.09Å | ||
| 112 | D | 50.9 | Low | 57.8 | Low | 88 Ų | 88 | 122.4 Ų | 122.4 | 47% | 0.471 | 60% | 0.597 | S | S | . | * | trans | -67.6 | 93.4 | 172.4 | -171.4 | -119.2 | 0 | 0 | 0 | 104.5 | P110 R114 | P110-D112 PolarHBondContact O-N 3.04Å; D112-R114 PolarHBondContact O-N 3.22Å; D112-R114 WeakPolarHBondContact OD1-CB 2.93Å; D112-R114 WeakPolarHBondContact OD1-CD 3.4Å; D112-R114 VanDerWaalsContact OD1-CG 3.24Å; D112-R114 WeakPolarHBondContact OD1-CG 3.24Å; D112-R114 IonicContact OD1-CZ 2.69Å; D112-R114 IonicContact OD1-NE 3.67Å; D112-R114 IonicContact OD1-NH1 2.7Å; D112-R114 PolarHBondContact OD1-NH1 3.49Å; D112-R114 IonicContact OD2-CZ 3.66Å; D112-R114 VanDerWaalsContact OD2-CZ 3.27Å; D112-R114 IonicContact OD2-NE 3.27Å; D112-R114 IonicContact OD2-NH1 3.71Å; D112-R114 PolarHBondContact OD2-NH1 3.38Å; D112-R114 VanDerWaalsContact OD2-NH1 3.1Å; D112-R114 IonicContact OD2-NH2 3.59Å | ||
| 113 | D | 49.7 | Very low | 55.8 | Low | 121 Ų | 121 | 132.5 Ų | 132.5 | 65% | 0.647 | 64% | 0.635 | S | S | * | * | trans | -61.8 | 23.7 | 178.8 | -68.3 | -75.1 | 0 | 0 | 0 | 113.1 | I111 G115 | I111-D113 PolarHBondContact O-N 2.96Å; I111-D113 VanDerWaalsContact O-OD2 3.09Å; D113-G115 PolarHBondContact O-N 3.13Å | ||
| 114 | R | 51.6 | Low | 53.8 | Low | 178 Ų | 178 | 140.4 Ų | 140.4 | 67% | 0.672 | 66% | 0.658 | S | S | * | * | trans | -77.1 | 31.1 | 173.5 | -62.6 | -162.8 | -162.3 | 112.9 | -5.6 | 112.7 | D112 | D112-R114 PolarHBondContact O-N 3.22Å; D112-R114 WeakPolarHBondContact OD1-CB 2.93Å; D112-R114 WeakPolarHBondContact OD1-CD 3.4Å; D112-R114 VanDerWaalsContact OD1-CG 3.24Å; D112-R114 WeakPolarHBondContact OD1-CG 3.24Å; D112-R114 IonicContact OD1-CZ 2.69Å; D112-R114 IonicContact OD1-NE 3.67Å; D112-R114 IonicContact OD1-NH1 2.7Å; D112-R114 PolarHBondContact OD1-NH1 3.49Å; D112-R114 IonicContact OD2-CZ 3.66Å; D112-R114 VanDerWaalsContact OD2-CZ 3.27Å; D112-R114 IonicContact OD2-NE 3.27Å; D112-R114 IonicContact OD2-NH1 3.71Å; D112-R114 PolarHBondContact OD2-NH1 3.38Å; D112-R114 VanDerWaalsContact OD2-NH1 3.1Å; D112-R114 IonicContact OD2-NH2 3.59Å | ||
| 115 | G | 44 | Very low | 51.7 | Low | 58 Ų | 58 | 148.3 Ų | 148.3 | 60% | 0.598 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -157.5 | 64.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D113 | D113-G115 PolarHBondContact O-N 3.13Š|
| 116 | R | 46.1 | Very low | 49.9 | Very low | 240 Ų | 240 | 158 Ų | 158 | 91% | 0.906 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 67 | 124.2 | 159.3 | -54.4 | -157.6 | -116.9 | 169.3 | -3.8 | 117 | ||
| 117 | N | 43.5 | Very low | 48.9 | Very low | 147 Ų | 147 | 151.8 Ų | 151.8 | 79% | 0.786 | 71% | 0.708 | S | S | * | * | trans | 75.2 | 70.6 | 166.3 | -75.5 | -17.4 | 0 | 0 | 0 | 118.4 | ||||
| 118 | G | 45.5 | Very low | 48.5 | Very low | 46 Ų | 46 | 148.5 Ų | 148.5 | 47% | 0.474 | 71% | 0.707 | S | S | . | * | trans | -113.6 | 5.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | D120 | G118-D120 VanDerWaalsContact C-N 3.3Å; G118-D120 PolarHBondContact O-N 2.77Å | ||
| 119 | D | 53.7 | Low | 47.9 | Very low | 142 Ų | 142 | 155.3 Ų | 155.3 | 76% | 0.759 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -9.5 | -170.6 | -63.6 | -79.3 | 0 | 0 | 0 | 115.1 | ||
| 120 | D | 56.8 | Low | 47.4 | Very low | 118 Ų | 118 | 160.9 Ų | 160.9 | 63% | 0.631 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | -16.1 | -168.8 | -68.8 | -63.9 | 0 | 0 | 0 | 115.7 | G118 | G118-D120 VanDerWaalsContact C-N 3.3Å; G118-D120 PolarHBondContact O-N 2.77Å |
| 121 | Y | 47.5 | Very low | 47 | Very low | 220 Ų | 220 | 161 Ų | 161 | 86% | 0.863 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -81 | -19.6 | -173.1 | -90.8 | -89.1 | 0 | 0 | 0 | 114.9 | ||
| 122 | Y | 47.2 | Very low | 46.7 | Very low | 231 Ų | 231 | 164.3 Ų | 164.3 | 91% | 0.906 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -95.1 | -7.3 | 179 | -91.8 | -87.6 | 0 | 0 | 0 | 114.9 | ||
| 123 | R | 49.6 | Very low | 46.8 | Very low | 216 Ų | 216 | 167.2 Ų | 167.2 | 82% | 0.815 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -9.1 | -178.6 | -154.5 | 174.6 | -163 | 162.6 | 5.1 | 114.4 | ||
| 124 | R | 47 | Very low | 46.3 | Very low | 227 Ų | 227 | 170.1 Ų | 170.1 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | 8.5 | -169.7 | -162.1 | 162.5 | -78 | 175.1 | -1.6 | 115.8 | ||
| 125 | R | 43.7 | Very low | 46.3 | Very low | 245 Ų | 245 | 168.8 Ų | 168.8 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -123.9 | 19.7 | -178.3 | -127.1 | 179.2 | -170.8 | 160 | 2.5 | 116.8 | ||
| 126 | R | 43.5 | Very low | 45.8 | Very low | 227 Ų | 227 | 174 Ų | 174 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | trans | -140.5 | 64 | 175.2 | -143.6 | 177 | -169.9 | 166.7 | 2 | 111.8 | ||||
| 127 | S | 45.2 | Very low | 46.1 | Very low | 107 Ų | 107 | 175.4 Ų | 175.4 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | trans | -140 | 26.7 | 168.2 | 8.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 128 | V | 49.9 | Very low | 46.2 | Very low | 120 Ų | 120 | 176.8 Ų | 176.8 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -132.3 | 114.7 | 163.4 | -158.6 | 0 | 0 | 0 | 0 | 105.8 | ||
| 129 | F | 42.6 | Very low | 46.2 | Very low | 191 Ų | 191 | 183.7 Ų | 183.7 | 84% | 0.838 | 83% | 0.83 | S | S | * | * | S | Bend | trans | 91.3 | 121.1 | -179.7 | -62 | -83.3 | 0 | 0 | 0 | 118.5 | ||
| 130 | R | 40.4 | Very low | 45.8 | Very low | 231 Ų | 231 | 186 Ų | 186 | 87% | 0.872 | 83% | 0.834 | S | S | * | * | trans | 94.6 | 120.6 | 171.8 | -62.7 | 179.5 | 153.5 | 129.6 | -5.9 | 114.3 | ||||
| 131 | S | 40.5 | Very low | 45.2 | Very low | 95 Ų | 95 | 190 Ų | 190 | 66% | 0.664 | 85% | 0.846 | S | S | * | * | cis | -166.3 | 152.4 | 3.4 | -93.2 | 0 | 0 | 0 | 0 | 108.1 | I133 | S131-I133 PolarHBondContact O-N 3.45Š| ||
| 132 | F | 43 | Very low | 45 | Very low | 203 Ų | 203 | 188.1 Ų | 188.1 | 89% | 0.89 | 85% | 0.845 | S | S | * | * | trans | -44.6 | 128.1 | 149.3 | -78.8 | -105.1 | 0 | 0 | 0 | 110.4 | ||||
| 133 | I | 51.1 | Low | 44.9 | Very low | 149 Ų | 149 | 185.3 Ų | 185.3 | 76% | 0.764 | 84% | 0.841 | S | S | * | * | trans | -159.8 | 98.1 | 148.2 | -82.7 | 130.1 | 0 | 0 | 0 | 103.4 | S131 | S131-I133 PolarHBondContact O-N 3.45Š| ||
| 134 | F | 39.5 | Very low | 44.5 | Very low | 182 Ų | 182 | 183.1 Ų | 183.1 | 80% | 0.798 | 84% | 0.843 | S | S | * | * | 49.9 | 100.1 | 102.9 | -102.8 | -90.7 | 0 | 0 | 0 | 113.8 | |||||
| 135 | V | 51.7 | Low | 44.4 | Very low | 149 Ų | 149 | 179.7 Ų | 179.7 | 90% | 0.903 | 84% | 0.842 | S | S | * | * | trans | -126.5 | 116 | 145.4 | -178 | 0 | 0 | 0 | 0 | 107 | ||||
| 136 | H | 34.1 | Very low | 44.4 | Very low | 168 Ų | 168 | 174.3 Ų | 174.3 | 78% | 0.778 | 84% | 0.835 | S | S | * | * | trans | -77.1 | 123.5 | 177 | 177 | -107.8 | 0 | 0 | 0 | 109.1 | ||||
| 137 | F | 51.5 | Low | 44.5 | Very low | 269 Ų | 269 | 169.5 Ų | 169.5 | 100% | 1.18 | 83% | 0.833 | S | S | * | * | trans | -152.1 | 0 | 148.6 | -154.8 | -90.4 | 0 | 0 | 0 | 108.4 |
Retrieved 137 of 137 residues in 135.3 ms
(Link to these results)