| 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 | 38.9 | Very low | 55 Ų | 55 | 103.8 Ų | 103.8 | 27% | 0.271 | 59% | 0.589 | S | S | . | * | 0 | 136.2 | 0 | -173.6 | 167.9 | 166.9 | 0 | 0 | 108.5 | Y3 M32 S102 R103 R105 | M1-Y3 HydrophobicContact CB-CD2 4.22Å; M1-Y3 HydrophobicContact CB-CE2 3.72Å; M1-Y3 HydrophobicContact CE-CD1 4.38Å; M1-Y3 HydrophobicContact CE-CE1 3.52Å; M1-Y3 HydrophobicContact CE-CE2 3.74Å; M1-Y3 WeakPolarHBondContact CE-OH 3.32Å; M1-Y3 HydrophobicContact CG-CD2 3.95Å; M1-Y3 HydrophobicContact CG-CE2 3.39Å; M1-Y3 HydrophobicContact SD-CD2 4.46Å; M1-Y3 HydrophobicContact SD-CE1 4.3Å; M1-Y3 HydrophobicContact SD-CE2 3.42Å; M1-Y3 WeakPolarHBondContact SD-CE2 3.45Å; M1-Y3 PolarHBondContact SD-OH 2.83Å; M1-M32 PolarHBondContact N-O 2.92Å; M1-M32 PolarHBondContact O-N 3.1Å; M1-M32 VanDerWaalsContact O-N 3.14Å; M1-S102 WeakPolarHBondContact CE-O 3.42Å; M1-R103 WeakPolarHBondContact CE-O 3.49Å; M1-R105 WeakPolarHBondContact CE-O 3.4Å | |||
| 2 | K | 37.5 | Very low | 38.6 | Very low | 133 Ų | 133 | 102.4 Ų | 102.4 | 58% | 0.578 | 59% | 0.591 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.3 | 114.5 | 179.7 | -73.1 | -173.3 | 171.7 | -172.8 | 0 | 108.8 | V29 | K2-V29 HydrophobicContact CB-CG1 3.57Å; K2-V29 HydrophobicContact CD-CG1 3.78Å; K2-V29 HydrophobicContact CG-CG1 3.48Å; K2-V29 VanDerWaalsContact CG-CG1 3.48Å |
| 3 | Y | 43.2 | Very low | 38.5 | Very low | 20 Ų | 20 | 108.2 Ų | 108.2 | 8% | 0.078 | 61% | 0.609 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.6 | 138 | 175.3 | -74.8 | -91.1 | 0 | 0 | 0 | 110.5 | M1 E30 M32 G106 L122 | M1-Y3 HydrophobicContact CB-CD2 4.22Å; M1-Y3 HydrophobicContact CB-CE2 3.72Å; M1-Y3 HydrophobicContact CE-CD1 4.38Å; M1-Y3 HydrophobicContact CE-CE1 3.52Å; M1-Y3 HydrophobicContact CE-CE2 3.74Å; M1-Y3 WeakPolarHBondContact CE-OH 3.32Å; M1-Y3 HydrophobicContact CG-CD2 3.95Å; M1-Y3 HydrophobicContact CG-CE2 3.39Å; M1-Y3 HydrophobicContact SD-CD2 4.46Å; M1-Y3 HydrophobicContact SD-CE1 4.3Å; M1-Y3 HydrophobicContact SD-CE2 3.42Å; M1-Y3 WeakPolarHBondContact SD-CE2 3.45Å; M1-Y3 PolarHBondContact SD-OH 2.83Å; Y3-E30 PolarHBondContact N-O 2.9Å; Y3-M32 HydrophobicContact CD1-CE 4.28Å; Y3-M32 HydrophobicContact CD2-CB 4.3Å; Y3-M32 HydrophobicContact CD2-CE 3.42Å; Y3-M32 VanDerWaalsContact CD2-CE 3.42Å; Y3-M32 HydrophobicContact CD2-CG 3.74Å; Y3-M32 HydrophobicContact CD2-SD 3.35Å; Y3-M32 WeakPolarHBondContact CD2-SD 3.49Å; Y3-M32 HydrophobicContact CE2-CB 4.15Å; Y3-M32 HydrophobicContact CE2-CE 3.84Å; Y3-M32 HydrophobicContact CE2-CG 3.91Å; Y3-M32 HydrophobicContact CE2-SD 3.18Å; Y3-M32 WeakPolarHBondContact CE2-SD 3.17Å; Y3-M32 HydrophobicContact CG-CE 3.64Å; Y3-M32 HydrophobicContact CG-SD 4.15Å; Y3-G106 WeakPolarHBondContact OH-CA 3.39Å; Y3-L122 HydrophobicContact CE2-CD2 4.43Å; Y3-L122 WeakPolarHBondContact OH-CD2 3.36Å |
| 4 | S | 40.4 | Very low | 38.1 | Very low | 79 Ų | 79 | 107.9 Ų | 107.9 | 55% | 0.552 | 62% | 0.618 | S | S | * | * | trans | -100.2 | 102.5 | 163.6 | -177.1 | 0 | 0 | 0 | 0 | 106.5 | K6 | S4-K6 PolarHBondContact O-N 2.74Š| ||
| 5 | L | 44.4 | Very low | 37.8 | Very low | 74 Ų | 74 | 112.7 Ų | 112.7 | 39% | 0.387 | 64% | 0.64 | S | S | . | * | P | Polyproline II helix | trans | -74.3 | 118.1 | 166.9 | -92.1 | 132 | 0 | 0 | 0 | 107.7 | ||
| 6 | K | 40.3 | Very low | 37.6 | Very low | 181 Ų | 181 | 112.8 Ų | 112.8 | 79% | 0.787 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 119.2 | 155.6 | -80.1 | -173.9 | 174.2 | -174.2 | 0 | 106 | S4 | S4-K6 PolarHBondContact O-N 2.74Š|
| 7 | S | 35.2 | Very low | 37.4 | Very low | 91 Ų | 91 | 112.9 Ų | 112.9 | 64% | 0.636 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 140.6 | 168.6 | 50.2 | 0 | 0 | 0 | 0 | 109.4 | I9 | S7-I9 PolarHBondContact O-N 3.21Š|
| 8 | P | 37.7 | Very low | 37.3 | Very low | 125 Ų | 125 | 111.8 Ų | 111.8 | 81% | 0.812 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 121 | 170.3 | 24.5 | -29.5 | 0 | 0 | 0 | 108.6 | S10 | P8-S10 PolarHBondContact O-N 2.69Å; P8-S10 VanDerWaalsContact O-N 3.12Å |
| 9 | I | 36.5 | Very low | 37.2 | Very low | 163 Ų | 163 | 115.8 Ų | 115.8 | 84% | 0.836 | 67% | 0.669 | S | S | * | * | trans | -60.2 | 113.9 | 173.5 | -60.8 | 171.3 | 0 | 0 | 0 | 106.9 | S7 S11 | S7-I9 PolarHBondContact O-N 3.21Å; I9-S11 PolarHBondContact O-N 3.31Å | ||
| 10 | S | 33.5 | Very low | 37 | Very low | 101 Ų | 101 | 113.8 Ų | 113.8 | 71% | 0.706 | 68% | 0.675 | S | S | * | * | trans | -66.6 | 111.1 | 169.9 | 55.8 | 0 | 0 | 0 | 0 | 108.5 | P8 S12 | P8-S10 PolarHBondContact O-N 2.69Å; P8-S10 VanDerWaalsContact O-N 3.12Å; S10-S12 PolarHBondContact O-N 3.43Å | ||
| 11 | S | 32.2 | Very low | 36.5 | Very low | 120 Ų | 120 | 116.3 Ų | 116.3 | 84% | 0.839 | 68% | 0.684 | S | S | * | * | trans | -73.9 | 89.4 | 170.5 | 56.4 | 0 | 0 | 0 | 0 | 109.9 | I9 | I9-S11 PolarHBondContact O-N 3.31Š| ||
| 12 | S | 35.2 | Very low | 35.6 | Very low | 87 Ų | 87 | 123 Ų | 123 | 61% | 0.608 | 71% | 0.712 | S | S | * | * | trans | -162.6 | 135.1 | 153.4 | 54.2 | 0 | 0 | 0 | 0 | 111.1 | S10 | S10-S12 PolarHBondContact O-N 3.43Š| ||
| 13 | Q | 36.7 | Very low | 35.4 | Very low | 177 Ų | 177 | 122.5 Ų | 122.5 | 83% | 0.827 | 72% | 0.72 | S | S | * | * | trans | 93.7 | 94.9 | 156.5 | -67.8 | 169 | -5.4 | 0 | 0 | 118.5 | ||||
| 14 | S | 33.6 | Very low | 34.8 | Very low | 104 Ų | 104 | 126.6 Ų | 126.6 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | 62.4 | 114.6 | 124.5 | 56 | 0 | 0 | 0 | 0 | 119.7 | S16 | S14-S16 PolarHBondContact O-N 3.23Š| |||
| 15 | L | 33.9 | Very low | 34.3 | Very low | 181 Ų | 181 | 130.9 Ų | 130.9 | 95% | 0.948 | 76% | 0.763 | S | S | * | * | trans | -51.8 | 123.2 | 156.9 | -68.4 | 98.2 | 0 | 0 | 0 | 110.9 | ||||
| 16 | S | 34.7 | Very low | 33.9 | Very low | 114 Ų | 114 | 131.5 Ų | 131.5 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | -159.4 | 145.5 | 137.4 | 54.7 | 0 | 0 | 0 | 0 | 110.2 | S14 | S14-S16 PolarHBondContact O-N 3.23Š| ||
| 17 | S | 34.1 | Very low | 33.8 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -58.3 | 156.6 | -169 | 45.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 18 | S | 35.5 | Very low | 34.6 | Very low | 92 Ų | 92 | 129.2 Ų | 129.2 | 64% | 0.643 | 75% | 0.754 | S | S | * | * | trans | 113.5 | 116.9 | 139.2 | -160 | 0 | 0 | 0 | 0 | 116 | ||||
| 19 | E | 35.3 | Very low | 35.2 | Very low | 188 Ų | 188 | 125.5 Ų | 125.5 | 88% | 0.879 | 73% | 0.729 | S | S | * | * | trans | 69.4 | 128.7 | 147.1 | -69.8 | 172.3 | 171.2 | 0 | 0 | 120.3 | ||||
| 20 | G | 31.9 | Very low | 36.7 | Very low | 76 Ų | 76 | 120.6 Ų | 120.6 | 78% | 0.784 | 70% | 0.702 | S | S | * | * | trans | 119.1 | 96.9 | 144.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 21 | L | 27.1 | Very low | 38.9 | Very low | 166 Ų | 166 | 117.9 Ų | 117.9 | 87% | 0.869 | 68% | 0.684 | S | S | * | * | trans | -23.6 | 148.8 | 154 | -85.5 | 124.6 | 0 | 0 | 0 | 117.2 | ||||
| 22 | K | 28.5 | Very low | 41.6 | Very low | 195 Ų | 195 | 113 Ų | 113 | 85% | 0.848 | 65% | 0.648 | S | S | * | * | trans | 109.3 | 120.5 | 165.3 | -65 | 168.5 | -175.8 | -179 | 0 | 110.6 | ||||
| 23 | T | 33.6 | Very low | 44.3 | Very low | 124 Ų | 124 | 112.4 Ų | 112.4 | 76% | 0.761 | 64% | 0.638 | S | S | * | * | cis | -165.6 | 150.4 | 29.8 | 32.7 | 0 | 0 | 0 | 0 | 108.6 | E25 | T23-E25 PolarHBondContact O-N 3.06Š| ||
| 24 | S | 30.7 | Very low | 47 | Very low | 105 Ų | 105 | 105 Ų | 105 | 73% | 0.734 | 60% | 0.604 | S | S | * | * | trans | -26.8 | 117.5 | 166.4 | 54 | 0 | 0 | 0 | 0 | 115 | S26 | S24-S26 PolarHBondContact O-N 2.98Š| ||
| 25 | E | 30.7 | Very low | 50 | Low | 169 Ų | 169 | 101.9 Ų | 101.9 | 79% | 0.79 | 58% | 0.581 | S | S | * | * | trans | -64.9 | 89.2 | 154.4 | -75.4 | -174.4 | 165.6 | 0 | 0 | 107.2 | T23 Y27 | T23-E25 PolarHBondContact O-N 3.06Å; E25-Y27 PolarHBondContact O-N 2.96Å | ||
| 26 | S | 34.1 | Very low | 52.9 | Low | 87 Ų | 87 | 95.3 Ų | 95.3 | 61% | 0.608 | 55% | 0.548 | S | S | * | . | trans | -58.9 | 106.2 | 170.1 | 166.3 | 0 | 0 | 0 | 0 | 107.5 | S24 T28 | S24-S26 PolarHBondContact O-N 2.98Å; S26-T28 PolarHBondContact O-N 3.39Å | ||
| 27 | Y | 39.9 | Very low | 55.7 | Low | 164 Ų | 164 | 93.2 Ų | 93.2 | 64% | 0.643 | 53% | 0.528 | S | S | * | . | trans | -58.2 | 92.1 | 164.2 | -65.2 | -81.1 | 0 | 0 | 0 | 107.9 | E25 V29 | E25-Y27 PolarHBondContact O-N 2.96Å; Y27-V29 VanDerWaalsContact C-N 3.31Å; Y27-V29 PolarHBondContact O-N 3.36Å | ||
| 28 | T | 51.3 | Low | 58.5 | Low | 61 Ų | 61 | 92.6 Ų | 92.6 | 37% | 0.374 | 51% | 0.512 | S | S | . | . | trans | -67.9 | 97.6 | 170.6 | 46.6 | 0 | 0 | 0 | 0 | 106.5 | S26 E30 | S26-T28 PolarHBondContact O-N 3.39Å; T28-E30 PolarHBondContact O-N 3.35Å | ||
| 29 | V | 50.8 | Low | 61.1 | Low | 47 Ų | 47 | 89.9 Ų | 89.9 | 29% | 0.285 | 49% | 0.492 | S | S | . | . | trans | -71.8 | 89.7 | 173.7 | 179.8 | 0 | 0 | 0 | 0 | 106.8 | K2 Y27 S31 | K2-V29 HydrophobicContact CB-CG1 3.57Å; K2-V29 HydrophobicContact CD-CG1 3.78Å; K2-V29 HydrophobicContact CG-CG1 3.48Å; K2-V29 VanDerWaalsContact CG-CG1 3.48Å; Y27-V29 VanDerWaalsContact C-N 3.31Å; Y27-V29 PolarHBondContact O-N 3.36Å; V29-S31 PolarHBondContact O-N 3.44Å | ||
| 30 | E | 67.5 | Low | 63.6 | Low | 59 Ų | 59 | 89.7 Ų | 89.7 | 28% | 0.276 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 118.3 | 170 | -72.7 | -168.9 | -163.6 | 0 | 0 | 108 | Y3 T28 S54 | Y3-E30 PolarHBondContact N-O 2.9Å; T28-E30 PolarHBondContact O-N 3.35Å; E30-S54 PolarHBondContact OE2-OG 3.44Å |
| 31 | S | 80.5 | Confident | 66.2 | Low | 45 Ų | 45 | 91 Ų | 91 | 32% | 0.315 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 131.1 | 168.8 | -67.6 | 0 | 0 | 0 | 0 | 107.2 | V29 V55 | V29-S31 PolarHBondContact O-N 3.44Å; S31-V55 WeakPolarHBondContact O-CA 3.2Å; S31-V55 WeakPolarHBondContact O-CB 3.27Å; S31-V55 WeakPolarHBondContact O-CG2 3.24Å; S31-V55 PolarHBondContact O-N 3Å |
| 32 | M | 87.8 | Confident | 68.9 | Low | 16 Ų | 16 | 86 Ų | 86 | 8% | 0.079 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 137.1 | 172.8 | -66.1 | -175.9 | -167.8 | 0 | 0 | 110.6 | M1 Y3 V52 W53 F83 L122 | M1-M32 PolarHBondContact N-O 2.92Å; M1-M32 PolarHBondContact O-N 3.1Å; M1-M32 VanDerWaalsContact O-N 3.14Å; Y3-M32 HydrophobicContact CD1-CE 4.28Å; Y3-M32 HydrophobicContact CD2-CB 4.3Å; Y3-M32 HydrophobicContact CD2-CE 3.42Å; Y3-M32 VanDerWaalsContact CD2-CE 3.42Å; Y3-M32 HydrophobicContact CD2-CG 3.74Å; Y3-M32 HydrophobicContact CD2-SD 3.35Å; Y3-M32 WeakPolarHBondContact CD2-SD 3.49Å; Y3-M32 HydrophobicContact CE2-CB 4.15Å; Y3-M32 HydrophobicContact CE2-CE 3.84Å; Y3-M32 HydrophobicContact CE2-CG 3.91Å; Y3-M32 HydrophobicContact CE2-SD 3.18Å; Y3-M32 WeakPolarHBondContact CE2-SD 3.17Å; Y3-M32 HydrophobicContact CG-CE 3.64Å; Y3-M32 HydrophobicContact CG-SD 4.15Å; M32-V52 HydrophobicContact CB-CG1 3.88Å; M32-V52 HydrophobicContact CG-CG1 4.19Å; M32-V52 HydrophobicContact SD-CG1 3.88Å; M32-W53 WeakPolarHBondContact CA-O 3.49Å; M32-F83 HydrophobicContact CE-CD1 4.09Å; M32-F83 HydrophobicContact CE-CD2 4.12Å; M32-F83 HydrophobicContact CE-CE1 3.6Å; M32-F83 HydrophobicContact CE-CE2 3.6Å; M32-F83 HydrophobicContact CE-CG 4.32Å; M32-F83 HydrophobicContact CE-CZ 3.29Å; M32-F83 HydrophobicContact SD-CD1 4.06Å; M32-F83 HydrophobicContact SD-CE1 3.95Å; M32-F83 HydrophobicContact SD-CG 4.49Å; M32-F83 HydrophobicContact SD-CZ 4.26Å; M32-L122 HydrophobicContact SD-CD2 3.52Å; M32-L122 VanDerWaalsContact SD-CD2 3.52Å |
| 33 | L | 91.6 | Very high | 71.5 | Confident | 76 Ų | 76 | 81.1 Ų | 81.1 | 40% | 0.398 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 131 | 172.1 | 172.7 | 67.4 | 0 | 0 | 0 | 108.5 | T35 V52 W53 V55 L80 | L33-T35 HydrophobicContact CD1-CG2 4.12Å; L33-T35 HydrophobicContact CD2-CG2 3.87Å; L33-T35 HydrophobicContact CG-CG2 3.73Å; L33-V52 CarbonylContact O-C 3.56Å; L33-V52 WeakPolarHBondContact O-CA 3.42Å; L33-W53 HydrophobicContact CB-CB 4.28Å; L33-W53 PolarHBondContact N-O 3.39Å; L33-W53 PolarHBondContact O-N 2.92Å; L33-V55 HydrophobicContact CB-CG2 3.63Å; L33-L80 HydrophobicContact CD2-CD1 3.77Å |
| 34 | V | 94.3 | Very high | 73.8 | Confident | 22 Ų | 22 | 86.2 Ų | 86.2 | 13% | 0.133 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 125.3 | 176.3 | -177.1 | 0 | 0 | 0 | 0 | 108 | L50 V51 V52 V99 I108 | V34-L50 HydrophobicContact CG1-CD1 3.69Å; V34-V51 WeakPolarHBondContact CA-O 3.46Å; V34-V52 HydrophobicContact CG2-CG2 4.23Å; V34-V99 HydrophobicContact CB-CG2 3.97Å; V34-V99 HydrophobicContact CG1-CG2 4.41Å; V34-V99 HydrophobicContact CG2-CG2 3.92Å; V34-I108 HydrophobicContact CG1-CD1 3.88Å; V34-I108 HydrophobicContact CG1-CG1 4.26Å; V34-I108 HydrophobicContact CG1-CG2 3.8Å; V34-I108 HydrophobicContact CG2-CD1 3.84Å; V34-I108 HydrophobicContact CG2-CG1 4.23Å |
| 35 | T | 95.8 | Very high | 76.4 | Confident | 38 Ų | 38 | 90.6 Ų | 90.6 | 23% | 0.233 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 168.6 | 176.5 | 74.9 | 0 | 0 | 0 | 0 | 111.3 | L33 V51 W53 | L33-T35 HydrophobicContact CD1-CG2 4.12Å; L33-T35 HydrophobicContact CD2-CG2 3.87Å; L33-T35 HydrophobicContact CG-CG2 3.73Å; T35-V51 PolarHBondContact N-O 3.45Å; T35-V51 PolarHBondContact O-N 3.47Å; T35-V51 VanDerWaalsContact O-O 3.12Å; T35-W53 PolarHBondContact OG1-NE1 3.26Å |
| 36 | T | 95.1 | Very high | 79.1 | Confident | 43 Ų | 43 | 83.2 Ų | 83.2 | 26% | 0.264 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 140.7 | 169.8 | 54.7 | 0 | 0 | 0 | 0 | 110.2 | R49 L50 P94 | T36-R49 CarbonylContact C-O 3.53Å; T36-R49 WeakPolarHBondContact CA-O 3.35Å; T36-L50 HydrophobicContact CG2-CD1 4.12Å; T36-P94 HydrophobicContact CG2-CB 3.78Å; T36-P94 HydrophobicContact CG2-CG 3.88Å |
| 37 | I | 93.9 | Very high | 81.8 | Confident | 70 Ų | 70 | 84.3 Ų | 84.3 | 36% | 0.359 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 121.1 | 170.8 | -56.1 | 178.9 | 0 | 0 | 0 | 107.4 | S48 R49 V51 W53 | I37-S48 CarbonylContact O-C 3.58Å; I37-S48 VanDerWaalsContact O-CA 3.29Å; I37-S48 WeakPolarHBondContact O-CA 3.35Å; I37-S48 WeakPolarHBondContact O-CB 3.38Å; I37-R49 HydrophobicContact CB-CB 4.29Å; I37-R49 PolarHBondContact N-O 2.82Å; I37-R49 PolarHBondContact O-N 3.29Å; I37-V51 HydrophobicContact CD1-CG2 3.68Å; I37-V51 HydrophobicContact CG1-CG2 3.91Å; I37-W53 HydrophobicContact CD1-CH2 4.42Å; I37-W53 HydrophobicContact CD1-CZ2 4.08Å |
| 38 | Q | 91.9 | Very high | 84.3 | Confident | 101 Ų | 101 | 76.6 Ų | 76.6 | 47% | 0.472 | 39% | 0.394 | S | S | . | . | trans | -102.6 | 152.3 | 176.6 | -71.8 | -176.1 | -26.6 | 0 | 0 | 110.8 | P94 | Q38-P94 HydrophobicContact CG-CG 3.92Å; Q38-P94 PolarHBondContact NE2-O 3.13Å | ||
| 39 | P | 90.6 | Very high | 86.4 | Confident | 35 Ų | 35 | 77.7 Ų | 77.7 | 23% | 0.227 | 39% | 0.392 | C | S | . | . | trans | -64.2 | 145.5 | 171.5 | 31.2 | -39.2 | 0 | 0 | 0 | 110.9 | C41 A42 S48 L93 | P39-C41 VanDerWaalsContact C-N 3.31Å; P39-C41 PolarHBondContact O-N 3.03Å; P39-A42 HydrophobicContact CG-CB 4.07Å; P39-S48 WeakPolarHBondContact CD-OG 3.41Å; P39-L93 HydrophobicContact CG-CD2 4.1Å | ||
| 40 | L | 87.8 | Confident | 88.6 | Confident | 185 Ų | 185 | 75.4 Ų | 75.4 | 97% | 0.969 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -60.2 | -42.7 | 173 | -69.7 | 171.9 | 0 | 0 | 0 | 111.7 | ||
| 41 | C | 87.1 | Confident | 89.9 | Confident | 103 Ų | 103 | 72.6 Ų | 72.6 | 70% | 0.696 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -114.2 | 102.3 | 174.1 | -61.9 | 0 | 0 | 0 | 0 | 108.7 | P39 N43 S46 | P39-C41 VanDerWaalsContact C-N 3.31Å; P39-C41 PolarHBondContact O-N 3.03Å; C41-N43 PolarHBondContact O-N 2.79Å; C41-S46 PolarHBondContact O-OG 2.84Å |
| 42 | A | 83.2 | Confident | 90.5 | Very high | 61 Ų | 61 | 70.5 Ų | 70.5 | 50% | 0.504 | 35% | 0.35 | S | S | . | . | trans | -77.1 | 123 | 178 | 0 | 0 | 0 | 0 | 0 | 111 | P39 L93 | P39-A42 HydrophobicContact CG-CB 4.07Å; A42-L93 HydrophobicContact CB-CD1 3.58Å; A42-L93 HydrophobicContact CB-CD2 4.02Å; A42-L93 HydrophobicContact CB-CG 4.45Å | ||
| 43 | N | 83.3 | Confident | 90.8 | Very high | 93 Ų | 93 | 71.8 Ų | 71.8 | 50% | 0.497 | 35% | 0.354 | S | S | . | . | trans | -136.8 | 173.1 | 170.9 | 68.1 | 43.8 | 0 | 0 | 0 | 109.3 | C41 R45 S46 | C41-N43 PolarHBondContact O-N 2.79Å; N43-R45 PolarHBondContact O-N 2.86Å; N43-R45 VanDerWaalsContact OD1-C 3.27Å; N43-R45 WeakPolarHBondContact OD1-CA 3.47Å; N43-R45 VanDerWaalsContact OD1-CB 3.31Å; N43-R45 WeakPolarHBondContact OD1-CB 3.45Å; N43-R45 PolarHBondContact OD1-N 3.41Å; N43-S46 VanDerWaalsContact CG-OG 3.25Å; N43-S46 PolarHBondContact N-OG 2.9Å; N43-S46 WeakPolarHBondContact O-CB 3.43Å; N43-S46 PolarHBondContact O-N 3.13Å; N43-S46 PolarHBondContact O-OG 3.01Å; N43-S46 PolarHBondContact OD1-N 3.06Å; N43-S46 PolarHBondContact OD1-OG 3.22Å; N43-S46 VanDerWaalsContact OD1-OG 3.09Å | ||
| 44 | R | 81.1 | Confident | 90.7 | Very high | 230 Ų | 230 | 69.3 Ų | 69.3 | 87% | 0.868 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -14.3 | -180 | -67.8 | -172.7 | 179.5 | 171.5 | 0.3 | 114.2 | G91 | R44-G91 WeakPolarHBondContact O-CA 3.4Š|
| 45 | R | 86.5 | Confident | 90.3 | Very high | 197 Ų | 197 | 70.4 Ų | 70.4 | 74% | 0.743 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | -4 | 177.1 | -64.8 | -175.6 | -179.2 | 175.2 | 0.9 | 113.5 | N43 F47 Q90 | N43-R45 PolarHBondContact O-N 2.86Å; N43-R45 VanDerWaalsContact OD1-C 3.27Å; N43-R45 WeakPolarHBondContact OD1-CA 3.47Å; N43-R45 VanDerWaalsContact OD1-CB 3.31Å; N43-R45 WeakPolarHBondContact OD1-CB 3.45Å; N43-R45 PolarHBondContact OD1-N 3.41Å; R45-F47 WeakPolarHBondContact O-CE2 2.83Å; R45-Q90 VanDerWaalsContact CB-NE2 3.34Å; R45-Q90 WeakPolarHBondContact O-CG 2.99Å; R45-Q90 PolarHBondContact O-NE2 3.34Å |
| 46 | S | 87.1 | Confident | 89.6 | Confident | 14 Ų | 14 | 70.9 Ų | 70.9 | 10% | 0.098 | 35% | 0.353 | C | S | . | . | trans | -74.7 | 150.4 | -177.5 | -55.9 | 0 | 0 | 0 | 0 | 111 | C41 N43 G91 | C41-S46 PolarHBondContact O-OG 2.84Å; N43-S46 VanDerWaalsContact CG-OG 3.25Å; N43-S46 PolarHBondContact N-OG 2.9Å; N43-S46 WeakPolarHBondContact O-CB 3.43Å; N43-S46 PolarHBondContact O-N 3.13Å; N43-S46 PolarHBondContact O-OG 3.01Å; N43-S46 PolarHBondContact OD1-N 3.06Å; N43-S46 PolarHBondContact OD1-OG 3.22Å; N43-S46 VanDerWaalsContact OD1-OG 3.09Å; S46-G91 PolarHBondContact O-N 3.45Å | ||
| 47 | F | 90.6 | Very high | 88.7 | Confident | 111 Ų | 111 | 72.7 Ų | 72.7 | 49% | 0.487 | 36% | 0.359 | S | S | . | . | trans | -111 | 138 | 175.8 | -63 | -85.5 | 0 | 0 | 0 | 109.3 | R45 T87 Q90 | R45-F47 WeakPolarHBondContact O-CE2 2.83Å; F47-T87 HydrophobicContact CB-CG2 3.99Å; F47-T87 HydrophobicContact CD1-CG2 3.79Å; F47-T87 HydrophobicContact CG-CG2 4.21Å; F47-Q90 HydrophobicContact CD1-CB 4.14Å; F47-Q90 HydrophobicContact CD1-CG 4.33Å; F47-Q90 HydrophobicContact CE1-CB 3.59Å; F47-Q90 HydrophobicContact CE1-CG 3.81Å; F47-Q90 HydrophobicContact CE2-CG 4.25Å; F47-Q90 HydrophobicContact CZ-CB 4.02Å; F47-Q90 HydrophobicContact CZ-CG 3.76Å | ||
| 48 | S | 93.2 | Very high | 87.6 | Confident | 1 Ų | 1 | 73.8 Ų | 73.8 | 1% | 0.007 | 37% | 0.37 | C | S | . | . | trans | -107.1 | 164.2 | 167.8 | -60.2 | 0 | 0 | 0 | 0 | 109.1 | I37 P39 L88 P94 | I37-S48 CarbonylContact O-C 3.58Å; I37-S48 VanDerWaalsContact O-CA 3.29Å; I37-S48 WeakPolarHBondContact O-CA 3.35Å; I37-S48 WeakPolarHBondContact O-CB 3.38Å; P39-S48 WeakPolarHBondContact CD-OG 3.41Å; S48-L88 WeakPolarHBondContact O-CB 3.28Å; S48-L88 PolarHBondContact O-N 2.88Å; S48-P94 VanDerWaalsContact CB-CD 3.47Å; S48-P94 VanDerWaalsContact OG-CD 3.32Å; S48-P94 WeakPolarHBondContact OG-CD 3.44Å | ||
| 49 | R | 94.5 | Very high | 86.4 | Confident | 84 Ų | 84 | 72.2 Ų | 72.2 | 32% | 0.317 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 140.9 | -179.9 | -46.5 | 179.2 | 85.2 | -156.8 | 5.7 | 109.7 | T36 I37 V51 E85 I86 | T36-R49 CarbonylContact C-O 3.53Å; T36-R49 WeakPolarHBondContact CA-O 3.35Å; I37-R49 HydrophobicContact CB-CB 4.29Å; I37-R49 PolarHBondContact N-O 2.82Å; I37-R49 PolarHBondContact O-N 3.29Å; R49-V51 HydrophobicContact CB-CG2 4.02Å; R49-E85 VanDerWaalsContact CZ-CD 3.45Å; R49-E85 IonicContact CZ-OE1 3.48Å; R49-E85 IonicContact CZ-OE2 2.64Å; R49-E85 IonicContact NH1-OE1 3.52Å; R49-E85 IonicContact NH1-OE2 3.05Å; R49-E85 PolarHBondContact NH1-OE2 3.32Å; R49-E85 IonicContact NH2-OE1 3.66Å; R49-E85 PolarHBondContact NH2-OE1 3.44Å; R49-E85 IonicContact NH2-OE2 2.74Å; R49-E85 PolarHBondContact NH2-OE2 2.97Å; R49-I86 WeakPolarHBondContact CA-O 3.18Å |
| 50 | L | 96.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 126.8 | 163.8 | 173.9 | 67.7 | 0 | 0 | 0 | 107.4 | V34 T36 E85 I86 L88 I108 V110 Y120 L129 | V34-L50 HydrophobicContact CG1-CD1 3.69Å; T36-L50 HydrophobicContact CG2-CD1 4.12Å; L50-E85 CarbonylContact O-C 3.49Å; L50-E85 VanDerWaalsContact O-CA 3.27Å; L50-E85 WeakPolarHBondContact O-CA 3.18Å; L50-I86 HydrophobicContact CB-CG2 3.84Å; L50-I86 HydrophobicContact CD2-CG2 4.2Å; L50-I86 HydrophobicContact CG-CG2 4.42Å; L50-I86 PolarHBondContact N-O 2.84Å; L50-I86 PolarHBondContact O-N 3.17Å; L50-L88 HydrophobicContact CB-CD2 4.25Å; L50-I108 HydrophobicContact CD1-CG2 4.08Å; L50-I108 HydrophobicContact CD2-CG2 3.99Å; L50-V110 HydrophobicContact CD1-CG2 4.08Å; L50-V110 HydrophobicContact CD2-CG2 4.03Å; L50-Y120 HydrophobicContact CD2-CD2 3.55Å; L50-Y120 HydrophobicContact CD2-CE2 4.09Å; L50-Y120 HydrophobicContact CD2-CG 3.83Å; L50-L129 HydrophobicContact CB-CD1 4.49Å; L50-L129 HydrophobicContact CD2-CD1 3.98Å; L50-L129 HydrophobicContact CD2-CD2 4.48Å; L50-L129 HydrophobicContact CG-CD1 3.96Å |
| 51 | V | 95.5 | Very high | 83.4 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 133 | -173.3 | -169.4 | 0 | 0 | 0 | 0 | 110 | V34 T35 I37 R49 W53 T82 E85 | V34-V51 WeakPolarHBondContact CA-O 3.46Å; T35-V51 PolarHBondContact N-O 3.45Å; T35-V51 PolarHBondContact O-N 3.47Å; T35-V51 VanDerWaalsContact O-O 3.12Å; I37-V51 HydrophobicContact CD1-CG2 3.68Å; I37-V51 HydrophobicContact CG1-CG2 3.91Å; R49-V51 HydrophobicContact CB-CG2 4.02Å; V51-W53 HydrophobicContact CB-CZ2 4Å; V51-W53 HydrophobicContact CG1-CD2 3.92Å; V51-W53 VanDerWaalsContact CG1-CE2 3.42Å; V51-W53 HydrophobicContact CG1-CE3 4.43Å; V51-W53 HydrophobicContact CG1-CG 4.44Å; V51-W53 HydrophobicContact CG1-CH2 4.1Å; V51-W53 HydrophobicContact CG1-CZ2 3.54Å; V51-W53 HydrophobicContact CG2-CZ2 4.49Å; V51-T82 HydrophobicContact CG1-CG2 3.71Å; V51-E85 HydrophobicContact CG1-CB 4.37Å; V51-E85 HydrophobicContact CG2-CB 4.2Å |
| 52 | V | 93.7 | Very high | 82 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 127.7 | 169.8 | -174 | 0 | 0 | 0 | 0 | 107.7 | M32 L33 V34 F83 A84 I108 L122 L129 | M32-V52 HydrophobicContact CB-CG1 3.88Å; M32-V52 HydrophobicContact CG-CG1 4.19Å; M32-V52 HydrophobicContact SD-CG1 3.88Å; L33-V52 CarbonylContact O-C 3.56Å; L33-V52 WeakPolarHBondContact O-CA 3.42Å; V34-V52 HydrophobicContact CG2-CG2 4.23Å; V52-F83 HydrophobicContact CG1-CB 4.38Å; V52-F83 HydrophobicContact CG1-CD1 4.25Å; V52-F83 WeakPolarHBondContact O-CA 3.33Å; V52-F83 WeakPolarHBondContact O-CB 3.35Å; V52-F83 PolarHBondContact O-N 3.17Å; V52-A84 HydrophobicContact CB-CB 4.3Å; V52-A84 PolarHBondContact N-O 3.12Å; V52-A84 PolarHBondContact O-N 3.25Å; V52-I108 HydrophobicContact CG2-CD1 3.99Å; V52-L122 HydrophobicContact CB-CD2 4.46Å; V52-L122 HydrophobicContact CG1-CD2 3.88Å; V52-L122 HydrophobicContact CG2-CD1 4.33Å; V52-L122 HydrophobicContact CG2-CD2 4.2Å; V52-L129 HydrophobicContact CG2-CD1 4.17Å; V52-L129 HydrophobicContact CG2-CD2 4.03Å; V52-L129 HydrophobicContact CG2-CG 4.41Å |
| 53 | W | 92.7 | Very high | 80.6 | Confident | 44 Ų | 44 | 68.7 Ų | 68.7 | 17% | 0.167 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 140 | -179.9 | -48.6 | 85.2 | 0 | 0 | 0 | 109.7 | M32 L33 T35 I37 V51 L80 K81 T82 | M32-W53 WeakPolarHBondContact CA-O 3.49Å; L33-W53 HydrophobicContact CB-CB 4.28Å; L33-W53 PolarHBondContact N-O 3.39Å; L33-W53 PolarHBondContact O-N 2.92Å; T35-W53 PolarHBondContact OG1-NE1 3.26Å; I37-W53 HydrophobicContact CD1-CH2 4.42Å; I37-W53 HydrophobicContact CD1-CZ2 4.08Å; V51-W53 HydrophobicContact CB-CZ2 4Å; V51-W53 HydrophobicContact CG1-CD2 3.92Å; V51-W53 VanDerWaalsContact CG1-CE2 3.42Å; V51-W53 HydrophobicContact CG1-CE3 4.43Å; V51-W53 HydrophobicContact CG1-CG 4.44Å; V51-W53 HydrophobicContact CG1-CH2 4.1Å; V51-W53 HydrophobicContact CG1-CZ2 3.54Å; V51-W53 HydrophobicContact CG2-CZ2 4.49Å; W53-L80 HydrophobicContact CB-CB 4.15Å; W53-L80 HydrophobicContact CB-CD1 4.14Å; W53-L80 HydrophobicContact CD2-CB 4.47Å; W53-L80 HydrophobicContact CE3-CB 4.03Å; W53-L80 HydrophobicContact CG-CD1 4.49Å; W53-K81 WeakPolarHBondContact CA-O 3.05Å; W53-T82 VanDerWaalsContact CZ3-OG1 3.28Å; W53-T82 WeakPolarHBondContact CZ3-OG1 3.5Å |
| 54 | S | 89.7 | Confident | 79.1 | Confident | 23 Ų | 23 | 71.6 Ų | 71.6 | 16% | 0.161 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 124.9 | 167 | -178 | 0 | 0 | 0 | 0 | 108.7 | E30 K81 | E30-S54 PolarHBondContact OE2-OG 3.44Å; S54-K81 PolarHBondContact N-O 3.34Å |
| 55 | V | 87.5 | Confident | 77.8 | Confident | 45 Ų | 45 | 64.3 Ų | 64.3 | 27% | 0.273 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 115.2 | 177.7 | -174.2 | 0 | 0 | 0 | 0 | 107.8 | S31 L33 L80 | S31-V55 WeakPolarHBondContact O-CA 3.2Å; S31-V55 WeakPolarHBondContact O-CB 3.27Å; S31-V55 WeakPolarHBondContact O-CG2 3.24Å; S31-V55 PolarHBondContact O-N 3Å; L33-V55 HydrophobicContact CB-CG2 3.63Å; V55-L80 HydrophobicContact CG2-CD1 4.41Å; V55-L80 HydrophobicContact CG2-CD2 4.46Å |
| 56 | P | 80.8 | Confident | 75.8 | Confident | 48 Ų | 48 | 59.1 Ų | 59.1 | 31% | 0.312 | 33% | 0.329 | S | S | . | . | trans | -62.4 | 149 | 178.9 | 26.4 | -33.2 | 0 | 0 | 0 | 110.4 | I78 | P56-I78 HydrophobicContact CG-CG2 4.26Š| ||
| 57 | H | 75.1 | Confident | 74 | Confident | 82 Ų | 82 | 66.9 Ų | 66.9 | 38% | 0.38 | 37% | 0.369 | S | S | . | . | trans | -68 | 139 | 176.6 | -157.4 | 63.6 | 0 | 0 | 0 | 109.3 | S59 E60 A61 | H57-S59 PolarHBondContact CD2-OG 2.77Å; H57-S59 VanDerWaalsContact CD2-OG 3.29Å; H57-S59 PolarHBondContact O-N 3.2Å; H57-E60 HydrophobicContact CB-CG 4.49Å; H57-E60 WeakPolarHBondContact O-CB 3.39Å; H57-E60 PolarHBondContact O-N 2.99Å; H57-A61 PolarHBondContact O-N 2.74Å | ||
| 58 | P | 70.3 | Confident | 71.7 | Confident | 92 Ų | 92 | 65.3 Ų | 65.3 | 60% | 0.597 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -57.7 | -23.1 | -178.9 | 18.5 | -31.4 | 0 | 0 | 0 | 114 | E60 A61 T62 | P58-E60 VanDerWaalsContact C-N 3.31Å; P58-A61 PolarHBondContact O-N 2.81Å; P58-T62 PolarHBondContact O-N 2.78Å; P58-T62 PolarHBondContact O-OG1 3.4Å |
| 59 | S | 67.2 | Low | 69.5 | Low | 68 Ų | 68 | 70.2 Ų | 70.2 | 48% | 0.476 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -68.7 | -28 | 172.8 | 70.3 | 0 | 0 | 0 | 0 | 113.3 | H57 T62 T63 | H57-S59 PolarHBondContact CD2-OG 2.77Å; H57-S59 VanDerWaalsContact CD2-OG 3.29Å; H57-S59 PolarHBondContact O-N 3.2Å; S59-T62 PolarHBondContact O-OG1 3.06Å; S59-T62 VanDerWaalsContact O-OG1 3.06Å; S59-T63 PolarHBondContact O-OG1 2.79Å |
| 60 | E | 59.4 | Low | 67.2 | Low | 88 Ų | 88 | 73.3 Ų | 73.3 | 41% | 0.411 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -79.7 | -31.9 | 177.3 | -64.6 | 176.2 | 173.1 | 0 | 0 | 111.3 | H57 P58 T62 T63 | H57-E60 HydrophobicContact CB-CG 4.49Å; H57-E60 WeakPolarHBondContact O-CB 3.39Å; H57-E60 PolarHBondContact O-N 2.99Å; P58-E60 VanDerWaalsContact C-N 3.31Å; E60-T62 PolarHBondContact O-N 2.64Å; E60-T63 PolarHBondContact O-N 2.86Å |
| 61 | A | 57.3 | Low | 64.9 | Low | 34 Ų | 34 | 80.3 Ų | 80.3 | 28% | 0.281 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.1 | -29.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | H57 P58 I78 | H57-A61 PolarHBondContact O-N 2.74Å; P58-A61 PolarHBondContact O-N 2.81Å; A61-I78 HydrophobicContact CB-CD1 4Å |
| 62 | T | 56.7 | Low | 62.7 | Low | 92 Ų | 92 | 88.4 Ų | 88.4 | 56% | 0.564 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -82.7 | -28 | -179.2 | 39.3 | 0 | 0 | 0 | 0 | 113.3 | P58 S59 E60 N64 E65 | P58-T62 PolarHBondContact O-N 2.78Å; P58-T62 PolarHBondContact O-OG1 3.4Å; S59-T62 PolarHBondContact O-OG1 3.06Å; S59-T62 VanDerWaalsContact O-OG1 3.06Å; E60-T62 PolarHBondContact O-N 2.64Å; T62-N64 VanDerWaalsContact C-N 3.3Å; T62-N64 PolarHBondContact O-N 3.14Å; T62-E65 PolarHBondContact O-N 3.08Å |
| 63 | T | 54.3 | Low | 60.8 | Low | 96 Ų | 96 | 92.6 Ų | 92.6 | 59% | 0.589 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.6 | -33.3 | -178.5 | -39.2 | 0 | 0 | 0 | 0 | 112.3 | S59 E60 E65 S66 | S59-T63 PolarHBondContact O-OG1 2.79Å; E60-T63 PolarHBondContact O-N 2.86Å; T63-E65 VanDerWaalsContact C-N 3.31Å; T63-E65 PolarHBondContact O-N 3.37Å; T63-S66 PolarHBondContact O-OG 3.42Å; T63-S66 VanDerWaalsContact O-OG 3.1Å |
| 64 | N | 51.5 | Low | 59 | Low | 155 Ų | 155 | 98.7 Ų | 98.7 | 83% | 0.829 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -11.3 | 179.6 | -69.2 | -7.7 | 0 | 0 | 0 | 114 | T62 | T62-N64 VanDerWaalsContact C-N 3.3Å; T62-N64 PolarHBondContact O-N 3.14Å |
| 65 | E | 53.8 | Low | 58 | Low | 77 Ų | 77 | 105.4 Ų | 105.4 | 36% | 0.36 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105 | 1 | -176.6 | -72.7 | -163.5 | 175.7 | 0 | 0 | 114.1 | T62 T63 L67 K73 | T62-E65 PolarHBondContact O-N 3.08Å; T63-E65 VanDerWaalsContact C-N 3.31Å; T63-E65 PolarHBondContact O-N 3.37Å; E65-L67 VanDerWaalsContact C-N 3.27Å; E65-L67 PolarHBondContact O-N 3.18Å; E65-K73 PolarHBondContact O-NZ 2.94Å; E65-K73 IonicContact OE2-NZ 3.96Å |
| 66 | S | 44.4 | Very low | 57.5 | Low | 87 Ų | 87 | 110.6 Ų | 110.6 | 61% | 0.608 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | 59.1 | -176 | 60.9 | 0 | 0 | 0 | 0 | 113.7 | T63 | T63-S66 PolarHBondContact O-OG 3.42Å; T63-S66 VanDerWaalsContact O-OG 3.1Å |
| 67 | L | 48.3 | Very low | 57.5 | Low | 177 Ų | 177 | 114.4 Ų | 114.4 | 93% | 0.927 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -155.4 | 7.9 | 168.7 | -104 | 146 | 0 | 0 | 0 | 116.7 | E65 | E65-L67 VanDerWaalsContact C-N 3.27Å; E65-L67 PolarHBondContact O-N 3.18Å |
| 68 | S | 44.4 | Very low | 57.7 | Low | 78 Ų | 78 | 115.6 Ų | 115.6 | 55% | 0.545 | 64% | 0.641 | S | S | . | * | trans | -126.2 | 96.4 | 172.3 | 57.9 | 0 | 0 | 0 | 0 | 112.3 | K73 | S68-K73 WeakPolarHBondContact O-CE 3.47Å; S68-K73 VanDerWaalsContact OG-CE 3.32Å; S68-K73 WeakPolarHBondContact OG-CE 3.29Å | ||
| 69 | S | 46.1 | Very low | 58.4 | Low | 105 Ų | 105 | 119.2 Ų | 119.2 | 73% | 0.734 | 65% | 0.65 | S | S | * | * | trans | -64.9 | 141.6 | 160.4 | 50.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 70 | N | 46.9 | Very low | 59.5 | Low | 148 Ų | 148 | 118.2 Ų | 118.2 | 79% | 0.791 | 64% | 0.639 | S | S | * | * | S | Bend | trans | 69.6 | 81.6 | 171.4 | -59.5 | -10.4 | 0 | 0 | 0 | 115.7 | ||
| 71 | N | 47.5 | Very low | 60.9 | Low | 147 Ų | 147 | 122 Ų | 122 | 79% | 0.786 | 65% | 0.654 | S | S | * | * | S | Bend | 178.8 | 149.3 | 129.4 | -88.3 | -31.5 | 0 | 0 | 0 | 106.9 | K73 | N71-K73 PolarHBondContact O-N 2.83Š| |
| 72 | I | 49.6 | Very low | 62.5 | Low | 170 Ų | 170 | 123.6 Ų | 123.6 | 87% | 0.872 | 66% | 0.661 | S | S | * | * | trans | -42 | 98.8 | 177.4 | -61.6 | 161.1 | 0 | 0 | 0 | 108.3 | M74 | I72-M74 PolarHBondContact O-N 2.79Š| ||
| 73 | K | 54 | Low | 64.1 | Low | 89 Ų | 89 | 120.9 Ų | 120.9 | 39% | 0.387 | 64% | 0.641 | S | S | . | * | trans | -74 | 90.6 | -179.8 | -80.7 | -174.4 | 175.7 | -177.2 | 0 | 105.8 | E65 S68 N71 H75 | E65-K73 PolarHBondContact O-NZ 2.94Å; E65-K73 IonicContact OE2-NZ 3.96Å; S68-K73 WeakPolarHBondContact O-CE 3.47Å; S68-K73 VanDerWaalsContact OG-CE 3.32Å; S68-K73 WeakPolarHBondContact OG-CE 3.29Å; N71-K73 PolarHBondContact O-N 2.83Å; K73-H75 VanDerWaalsContact C-N 3.35Å; K73-H75 PolarHBondContact O-N 2.85Å | ||
| 74 | M | 54.4 | Low | 65.9 | Low | 172 Ų | 172 | 116.6 Ų | 116.6 | 85% | 0.847 | 62% | 0.615 | S | S | * | * | trans | -50.3 | 109.8 | 155.6 | -113.1 | -173.6 | 174 | 0 | 0 | 105.3 | I72 Q76 | I72-M74 PolarHBondContact O-N 2.79Å; M74-Q76 PolarHBondContact O-N 2.98Å | ||
| 75 | H | 68.8 | Low | 67.9 | Low | 163 Ų | 163 | 113.2 Ų | 113.2 | 76% | 0.755 | 60% | 0.595 | S | S | * | * | trans | -54.2 | 109.8 | 172.5 | -76.7 | -66.8 | 0 | 0 | 0 | 107 | K73 | K73-H75 VanDerWaalsContact C-N 3.35Å; K73-H75 PolarHBondContact O-N 2.85Å | ||
| 76 | Q | 76.3 | Confident | 69.9 | Low | 154 Ų | 154 | 111.7 Ų | 111.7 | 72% | 0.72 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -63 | 137.8 | 174.9 | -73.1 | -172.4 | -4.9 | 0 | 0 | 107.6 | M74 I78 | M74-Q76 PolarHBondContact O-N 2.98Å; Q76-I78 PolarHBondContact O-N 3.11Å; Q76-I78 VanDerWaalsContact O-N 3.13Å |
| 77 | P | 80.8 | Confident | 72.3 | Confident | 129 Ų | 129 | 111.1 Ų | 111.1 | 84% | 0.838 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 123.4 | 177.1 | 24.2 | -32.8 | 0 | 0 | 0 | 109.2 | Q79 | P77-Q79 PolarHBondContact O-N 2.87Š|
| 78 | I | 80.8 | Confident | 74.4 | Confident | 106 Ų | 106 | 102.8 Ų | 102.8 | 54% | 0.544 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 120.6 | 177.4 | -60.1 | 173.4 | 0 | 0 | 0 | 108.1 | P56 A61 Q76 L80 | P56-I78 HydrophobicContact CG-CG2 4.26Å; A61-I78 HydrophobicContact CB-CD1 4Å; Q76-I78 PolarHBondContact O-N 3.11Å; Q76-I78 VanDerWaalsContact O-N 3.13Å; I78-L80 PolarHBondContact O-N 3.45Å |
| 79 | Q | 85 | Confident | 76.6 | Confident | 168 Ų | 168 | 101.2 Ų | 101.2 | 79% | 0.785 | 53% | 0.526 | S | S | * | . | trans | -71 | 113.9 | 172.8 | -174.8 | 64 | 41.1 | 0 | 0 | 109.8 | P77 | P77-Q79 PolarHBondContact O-N 2.87Š| ||
| 80 | L | 89.2 | Confident | 78.7 | Confident | 48 Ų | 48 | 100.8 Ų | 100.8 | 25% | 0.251 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -75 | 146.8 | 175.8 | -59.3 | -178.8 | 0 | 0 | 0 | 111.1 | L33 W53 V55 I78 | L33-L80 HydrophobicContact CD2-CD1 3.77Å; W53-L80 HydrophobicContact CB-CB 4.15Å; W53-L80 HydrophobicContact CB-CD1 4.14Å; W53-L80 HydrophobicContact CD2-CB 4.47Å; W53-L80 HydrophobicContact CE3-CB 4.03Å; W53-L80 HydrophobicContact CG-CD1 4.49Å; V55-L80 HydrophobicContact CG2-CD1 4.41Å; V55-L80 HydrophobicContact CG2-CD2 4.46Å; I78-L80 PolarHBondContact O-N 3.45Å |
| 81 | K | 89.1 | Confident | 80.6 | Confident | 167 Ų | 167 | 94.5 Ų | 94.5 | 73% | 0.726 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 134.6 | 175.4 | -69.2 | -177.7 | 180 | 176.5 | 0 | 110.5 | W53 S54 F83 | W53-K81 WeakPolarHBondContact CA-O 3.05Å; S54-K81 PolarHBondContact N-O 3.34Å; K81-F83 PolarHBondContact O-N 3.09Å |
| 82 | T | 91.5 | Very high | 82.6 | Confident | 68 Ų | 68 | 89.7 Ų | 89.7 | 42% | 0.417 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 125.8 | 171.4 | -55.2 | 0 | 0 | 0 | 0 | 109.7 | V51 W53 E85 | V51-T82 HydrophobicContact CG1-CG2 3.71Å; W53-T82 VanDerWaalsContact CZ3-OG1 3.28Å; W53-T82 WeakPolarHBondContact CZ3-OG1 3.5Å; T82-E85 HydrophobicContact CG2-CB 4.22Å; T82-E85 HydrophobicContact CG2-CG 4.3Å |
| 83 | F | 89.7 | Confident | 84.6 | Confident | 35 Ų | 35 | 82.8 Ų | 82.8 | 15% | 0.154 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | -44.9 | 175.5 | -179.1 | -94 | 0 | 0 | 0 | 111.5 | M32 V52 K81 L122 H127 | M32-F83 HydrophobicContact CE-CD1 4.09Å; M32-F83 HydrophobicContact CE-CD2 4.12Å; M32-F83 HydrophobicContact CE-CE1 3.6Å; M32-F83 HydrophobicContact CE-CE2 3.6Å; M32-F83 HydrophobicContact CE-CG 4.32Å; M32-F83 HydrophobicContact CE-CZ 3.29Å; M32-F83 HydrophobicContact SD-CD1 4.06Å; M32-F83 HydrophobicContact SD-CE1 3.95Å; M32-F83 HydrophobicContact SD-CG 4.49Å; M32-F83 HydrophobicContact SD-CZ 4.26Å; V52-F83 HydrophobicContact CG1-CB 4.38Å; V52-F83 HydrophobicContact CG1-CD1 4.25Å; V52-F83 WeakPolarHBondContact O-CA 3.33Å; V52-F83 WeakPolarHBondContact O-CB 3.35Å; V52-F83 PolarHBondContact O-N 3.17Å; K81-F83 PolarHBondContact O-N 3.09Å; F83-L122 HydrophobicContact CD1-CD1 4.14Å; F83-L122 HydrophobicContact CD1-CD2 4.22Å; F83-L122 HydrophobicContact CE1-CD1 3.99Å; F83-L122 HydrophobicContact CE1-CD2 3.98Å; F83-L122 HydrophobicContact CE1-CG 4.26Å; F83-H127 AromaticContact CD2-ND1 3.83Å; F83-H127 HydrophobicContact CE1-CB 4.33Å; F83-H127 AromaticContact CE1-ND1 3.55Å; F83-H127 AromaticContact CE2-CE1 3.45Å; F83-H127 VanDerWaalsContact CE2-CE1 3.45Å; F83-H127 WeakPolarHBondContact CE2-CE1 3.31Å; F83-H127 AromaticContact CE2-ND1 2.99Å; F83-H127 WeakPolarHBondContact CE2-ND1 3.36Å; F83-H127 HydrophobicContact CZ-CB 4.43Å; F83-H127 AromaticContact CZ-CE1 3.43Å; F83-H127 VanDerWaalsContact CZ-CE1 3.43Å; F83-H127 WeakPolarHBondContact CZ-CE1 3.25Å; F83-H127 AromaticContact CZ-CG 3.9Å; F83-H127 AromaticContact CZ-ND1 2.83Å; F83-H127 WeakPolarHBondContact CZ-ND1 3.33Å |
| 84 | A | 92.3 | Very high | 86.6 | Confident | 5 Ų | 5 | 78.7 Ų | 78.7 | 4% | 0.041 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 148.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | V52 L122 H127 L129 | V52-A84 HydrophobicContact CB-CB 4.3Å; V52-A84 PolarHBondContact N-O 3.12Å; V52-A84 PolarHBondContact O-N 3.25Å; A84-L122 HydrophobicContact CB-CD1 3.56Å; A84-H127 VanDerWaalsContact CB-O 3.24Å; A84-H127 WeakPolarHBondContact CB-O 3.29Å; A84-L129 HydrophobicContact CB-CD1 4.49Å; A84-L129 HydrophobicContact CB-CG 4.16Å |
| 85 | E | 94.1 | Very high | 88.5 | Confident | 85 Ų | 85 | 72.9 Ų | 72.9 | 40% | 0.397 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 152.2 | 176.5 | 58.3 | -179.7 | -159.7 | 0 | 0 | 111.6 | R49 L50 V51 T82 | R49-E85 VanDerWaalsContact CZ-CD 3.45Å; R49-E85 IonicContact CZ-OE1 3.48Å; R49-E85 IonicContact CZ-OE2 2.64Å; R49-E85 IonicContact NH1-OE1 3.52Å; R49-E85 IonicContact NH1-OE2 3.05Å; R49-E85 PolarHBondContact NH1-OE2 3.32Å; R49-E85 IonicContact NH2-OE1 3.66Å; R49-E85 PolarHBondContact NH2-OE1 3.44Å; R49-E85 IonicContact NH2-OE2 2.74Å; R49-E85 PolarHBondContact NH2-OE2 2.97Å; L50-E85 CarbonylContact O-C 3.49Å; L50-E85 VanDerWaalsContact O-CA 3.27Å; L50-E85 WeakPolarHBondContact O-CA 3.18Å; V51-E85 HydrophobicContact CG1-CB 4.37Å; V51-E85 HydrophobicContact CG2-CB 4.2Å; T82-E85 HydrophobicContact CG2-CB 4.22Å; T82-E85 HydrophobicContact CG2-CG 4.3Å |
| 86 | I | 94.2 | Very high | 89.7 | Confident | 45 Ų | 45 | 66 Ų | 66 | 23% | 0.231 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 139.5 | 172.4 | -171.2 | 159.7 | 0 | 0 | 0 | 109.8 | R49 L50 Y120 L129 | R49-I86 WeakPolarHBondContact CA-O 3.18Å; L50-I86 HydrophobicContact CB-CG2 3.84Å; L50-I86 HydrophobicContact CD2-CG2 4.2Å; L50-I86 HydrophobicContact CG-CG2 4.42Å; L50-I86 PolarHBondContact N-O 2.84Å; L50-I86 PolarHBondContact O-N 3.17Å; I86-Y120 HydrophobicContact CD1-CD1 4.14Å; I86-Y120 HydrophobicContact CD1-CE1 3.79Å; I86-Y120 HydrophobicContact CG1-CE1 4.45Å; I86-Y120 HydrophobicContact CG2-CD1 4.13Å; I86-Y120 HydrophobicContact CG2-CE1 3.97Å; I86-L129 HydrophobicContact CB-CB 4.03Å; I86-L129 HydrophobicContact CB-CD1 4.23Å; I86-L129 HydrophobicContact CG2-CB 3.83Å; I86-L129 HydrophobicContact CG2-CD1 3.64Å; I86-L129 HydrophobicContact CG2-CG 4.4Å |
| 87 | T | 94.4 | Very high | 90.7 | Very high | 74 Ų | 74 | 62.3 Ų | 62.3 | 45% | 0.454 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 126.1 | 174.7 | -56.5 | 0 | 0 | 0 | 0 | 109.2 | F47 | F47-T87 HydrophobicContact CB-CG2 3.99Å; F47-T87 HydrophobicContact CD1-CG2 3.79Å; F47-T87 HydrophobicContact CG-CG2 4.21Å |
| 88 | L | 93 | Very high | 91.4 | Very high | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 153.3 | 173.7 | -61.4 | 179.3 | 0 | 0 | 0 | 110.1 | S48 L50 P94 V110 Y120 | S48-L88 WeakPolarHBondContact O-CB 3.28Å; S48-L88 PolarHBondContact O-N 2.88Å; L50-L88 HydrophobicContact CB-CD2 4.25Å; L88-P94 HydrophobicContact CD1-CB 4.04Å; L88-P94 HydrophobicContact CD1-CG 3.94Å; L88-V110 HydrophobicContact CD1-CG1 4.3Å; L88-Y120 HydrophobicContact CD2-CE2 3.97Å; L88-Y120 VanDerWaalsContact CD2-OH 3.23Å; L88-Y120 WeakPolarHBondContact CD2-OH 3.29Å |
| 89 | P | 90.3 | Very high | 92 | Very high | 45 Ų | 45 | 54.3 Ų | 54.3 | 29% | 0.292 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 147.9 | 179.6 | -31.6 | 43.4 | 0 | 0 | 0 | 113.1 | G91 H92 | P89-G91 PolarHBondContact O-N 3.41Å; P89-H92 WeakPolarHBondContact O-CB 3.09Å; P89-H92 PolarHBondContact O-N 2.97Å; P89-H92 VanDerWaalsContact O-N 3.15Å |
| 90 | Q | 90.9 | Very high | 92.2 | Very high | 95 Ų | 95 | 47.1 Ų | 47.1 | 44% | 0.444 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 135.7 | -173.3 | -165.3 | 175.7 | 25.1 | 0 | 0 | 111.6 | R45 F47 H92 | R45-Q90 VanDerWaalsContact CB-NE2 3.34Å; R45-Q90 WeakPolarHBondContact O-CG 2.99Å; R45-Q90 PolarHBondContact O-NE2 3.34Å; F47-Q90 HydrophobicContact CD1-CB 4.14Å; F47-Q90 HydrophobicContact CD1-CG 4.33Å; F47-Q90 HydrophobicContact CE1-CB 3.59Å; F47-Q90 HydrophobicContact CE1-CG 3.81Å; F47-Q90 HydrophobicContact CE2-CG 4.25Å; F47-Q90 HydrophobicContact CZ-CB 4.02Å; F47-Q90 HydrophobicContact CZ-CG 3.76Å; Q90-H92 PolarHBondContact O-N 3.29Å |
| 91 | G | 86.8 | Confident | 91.8 | Very high | 17 Ų | 17 | 48.6 Ų | 48.6 | 18% | 0.175 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | -1.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | R44 S46 P89 E114 | R44-G91 WeakPolarHBondContact O-CA 3.4Å; S46-G91 PolarHBondContact O-N 3.45Å; P89-G91 PolarHBondContact O-N 3.41Å; G91-E114 VanDerWaalsContact O-OE1 3.14Å |
| 92 | H | 89.5 | Confident | 91.2 | Very high | 46 Ų | 46 | 41.9 Ų | 41.9 | 21% | 0.213 | 24% | 0.244 | C | C | . | . | trans | -95.2 | 108.6 | 174.2 | -71 | -77.8 | 0 | 0 | 0 | 110.9 | P89 Q90 T112 E114 | P89-H92 WeakPolarHBondContact O-CB 3.09Å; P89-H92 PolarHBondContact O-N 2.97Å; P89-H92 VanDerWaalsContact O-N 3.15Å; Q90-H92 PolarHBondContact O-N 3.29Å; H92-T112 HydrophobicContact CB-CG2 4.16Å; H92-E114 VanDerWaalsContact CA-OE2 3.26Å; H92-E114 WeakPolarHBondContact CA-OE2 3.48Å; H92-E114 IonicContact CG-OE2 3.97Å; H92-E114 IonicContact ND1-OE2 3.45Å; H92-E114 PolarHBondContact ND1-OE2 2.82Å | ||
| 93 | L | 92.4 | Very high | 90 | Very high | 24 Ų | 24 | 48.3 Ų | 48.3 | 13% | 0.126 | 26% | 0.261 | C | S | . | . | trans | -95.6 | 126.2 | -176.5 | -58.7 | 173.5 | 0 | 0 | 0 | 109.7 | P39 A42 A95 T112 M113 E114 | P39-L93 HydrophobicContact CG-CD2 4.1Å; A42-L93 HydrophobicContact CB-CD1 3.58Å; A42-L93 HydrophobicContact CB-CD2 4.02Å; A42-L93 HydrophobicContact CB-CG 4.45Å; L93-A95 PolarHBondContact O-N 3.49Å; L93-T112 CarbonylContact O-C 3.59Å; L93-T112 WeakPolarHBondContact O-CA 3.33Å; L93-T112 WeakPolarHBondContact O-CB 3.48Å; L93-M113 HydrophobicContact CB-CB 4.37Å; L93-M113 HydrophobicContact CB-CG 4.04Å; L93-M113 HydrophobicContact CB-SD 3.81Å; L93-M113 HydrophobicContact CD1-SD 3.87Å; L93-M113 PolarHBondContact O-N 3.48Å; L93-E114 PolarHBondContact N-OE2 3.07Å | ||
| 94 | P | 94.7 | Very high | 88.9 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 124.2 | 179 | 27 | -32.3 | 0 | 0 | 0 | 110.1 | T36 Q38 S48 L88 V110 G111 | T36-P94 HydrophobicContact CG2-CB 3.78Å; T36-P94 HydrophobicContact CG2-CG 3.88Å; Q38-P94 HydrophobicContact CG-CG 3.92Å; Q38-P94 PolarHBondContact NE2-O 3.13Å; S48-P94 VanDerWaalsContact CB-CD 3.47Å; S48-P94 VanDerWaalsContact OG-CD 3.32Å; S48-P94 WeakPolarHBondContact OG-CD 3.44Å; L88-P94 HydrophobicContact CD1-CB 4.04Å; L88-P94 HydrophobicContact CD1-CG 3.94Å; P94-V110 HydrophobicContact CB-CG1 3.82Å; P94-G111 CarbonylContact C-O 3.48Å; P94-G111 WeakPolarHBondContact CA-O 3.06Å |
| 95 | A | 94 | Very high | 87.9 | Confident | 49 Ų | 49 | 50.9 Ų | 50.9 | 41% | 0.405 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | -35.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | L93 G111 M113 V143 | L93-A95 PolarHBondContact O-N 3.49Å; A95-G111 PolarHBondContact N-O 2.89Å; A95-M113 HydrophobicContact CB-CG 3.95Å; A95-V143 VanDerWaalsContact CB-O 3.29Å; A95-V143 WeakPolarHBondContact CB-O 3.39Å |
| 96 | C | 95.3 | Very high | 87.5 | Confident | 20 Ų | 20 | 46.9 Ų | 46.9 | 14% | 0.135 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 160.6 | 179.9 | 56.9 | 0 | 0 | 0 | 0 | 111.4 | G111 V143 | C96-G111 PolarHBondContact N-O 2.8Å; C96-G111 PolarHBondContact O-N 3.02Å; C96-V143 PolarHBondContact SG-O 2.93Å |
| 97 | L | 96.5 | Very high | 87.4 | Confident | 75 Ų | 75 | 44.7 Ų | 44.7 | 39% | 0.393 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 148.5 | 177.3 | 71 | 96.9 | 0 | 0 | 0 | 110.3 | V99 G109 | L97-V99 HydrophobicContact CD1-CG2 4.3Å; L97-G109 CarbonylContact C-O 3.53Å; L97-G109 WeakPolarHBondContact CA-O 3.39Å |
| 98 | A | 95 | Very high | 87.4 | Confident | 10 Ų | 10 | 41.3 Ų | 41.3 | 8% | 0.083 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 140.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | I108 G109 L146 F148 | A98-I108 CarbonylContact O-C 3.48Å; A98-I108 WeakPolarHBondContact O-CA 3.5Å; A98-G109 PolarHBondContact N-O 2.9Å; A98-G109 PolarHBondContact O-N 3.35Å; A98-L146 HydrophobicContact CB-CB 3.72Å; A98-L146 WeakPolarHBondContact CB-O 3.32Å; A98-F148 HydrophobicContact CB-CD2 4.19Å; A98-F148 HydrophobicContact CB-CE2 4.19Å |
| 99 | V | 93.2 | Very high | 87.5 | Confident | 58 Ų | 58 | 41.1 Ų | 41.1 | 35% | 0.352 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 130.2 | 175.1 | -177.1 | 0 | 0 | 0 | 0 | 108 | V34 L97 I108 | V34-V99 HydrophobicContact CB-CG2 3.97Å; V34-V99 HydrophobicContact CG1-CG2 4.41Å; V34-V99 HydrophobicContact CG2-CG2 3.92Å; L97-V99 HydrophobicContact CD1-CG2 4.3Å; V99-I108 HydrophobicContact CG2-CG1 4.5Å |
| 100 | H | 90.2 | Very high | 87.8 | Confident | 17 Ų | 17 | 39 Ų | 39 | 8% | 0.079 | 21% | 0.214 | C | C | . | . | trans | -65.4 | 134 | 178.9 | -173.4 | -83.6 | 0 | 0 | 0 | 110 | S102 L107 F148 F174 | H100-S102 PolarHBondContact CE1-OG 3.06Å; H100-S102 VanDerWaalsContact ND1-CB 3.25Å; H100-S102 WeakPolarHBondContact ND1-CB 3.23Å; H100-S102 PolarHBondContact ND1-N 3.42Å; H100-S102 VanDerWaalsContact ND1-N 3.13Å; H100-S102 PolarHBondContact ND1-OG 2.86Å; H100-S102 PolarHBondContact O-N 2.69Å; H100-L107 HydrophobicContact CB-CB 3.68Å; H100-L107 PolarHBondContact N-O 2.9Å; H100-F148 HydrophobicContact CB-CD1 4.43Å; H100-F148 HydrophobicContact CB-CD2 3.78Å; H100-F148 HydrophobicContact CB-CE2 4.02Å; H100-F148 HydrophobicContact CB-CG 3.99Å; H100-F148 HydrophobicContact CB-CZ 4.46Å; H100-F148 AromaticContact CD2-CD1 3.86Å; H100-F148 AromaticContact CD2-CG 3.67Å; H100-F174 AromaticContact CD2-CD1 3.66Å; H100-F174 AromaticContact CE1-CD1 3.86Å; H100-F174 AromaticContact CE1-CE1 3.67Å; H100-F174 AromaticContact NE2-CD1 3.39Å; H100-F174 WeakPolarHBondContact NE2-CD1 3.49Å; H100-F174 AromaticContact NE2-CE1 3.65Å | ||
| 101 | P | 80 | Confident | 88.1 | Confident | 79 Ų | 79 | 34.5 Ų | 34.5 | 51% | 0.513 | 19% | 0.193 | S | C | . | . | trans | -74.3 | 1.6 | -171.5 | 29.4 | -36.8 | 0 | 0 | 0 | 114.8 | ||||
| 102 | S | 77.3 | Confident | 88.5 | Confident | 26 Ų | 26 | 33.7 Ų | 33.7 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | trans | -70.7 | 144.6 | -179.7 | 60.2 | 0 | 0 | 0 | 0 | 111 | M1 H100 S104 R105 | M1-S102 WeakPolarHBondContact CE-O 3.42Å; H100-S102 PolarHBondContact CE1-OG 3.06Å; H100-S102 VanDerWaalsContact ND1-CB 3.25Å; H100-S102 WeakPolarHBondContact ND1-CB 3.23Å; H100-S102 PolarHBondContact ND1-N 3.42Å; H100-S102 VanDerWaalsContact ND1-N 3.13Å; H100-S102 PolarHBondContact ND1-OG 2.86Å; H100-S102 PolarHBondContact O-N 2.69Å; S102-S104 VanDerWaalsContact C-N 3.31Å; S102-S104 PolarHBondContact O-N 3.17Å; S102-R105 WeakPolarHBondContact OG-CB 3.05Å; S102-R105 PolarHBondContact OG-N 2.93Å; S102-R105 PolarHBondContact OG-O 3.44Å; S102-R105 VanDerWaalsContact OG-O 3.12Å | ||
| 103 | R | 67.3 | Low | 88.6 | Confident | 202 Ų | 202 | 36.1 Ų | 36.1 | 76% | 0.762 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -73.9 | -23.6 | -179.3 | -64.3 | -176.4 | -179.1 | 178.4 | 1.4 | 113.3 | M1 | M1-R103 WeakPolarHBondContact CE-O 3.49Š|
| 104 | S | 66.1 | Low | 88.5 | Confident | 75 Ų | 75 | 38.4 Ų | 38.4 | 52% | 0.524 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -111.3 | -11.2 | -170 | 52.1 | 0 | 0 | 0 | 0 | 114.4 | S102 | S102-S104 VanDerWaalsContact C-N 3.31Å; S102-S104 PolarHBondContact O-N 3.17Å |
| 105 | R | 71.9 | Confident | 88.5 | Confident | 19 Ų | 19 | 38.2 Ų | 38.2 | 7% | 0.072 | 21% | 0.206 | C | C | . | . | trans | -125.3 | 106 | -171.1 | -49.2 | 173 | 170.9 | -119.6 | -27.1 | 109.1 | M1 S102 L107 Y193 I196 | M1-R105 WeakPolarHBondContact CE-O 3.4Å; S102-R105 WeakPolarHBondContact OG-CB 3.05Å; S102-R105 PolarHBondContact OG-N 2.93Å; S102-R105 PolarHBondContact OG-O 3.44Å; S102-R105 VanDerWaalsContact OG-O 3.12Å; R105-L107 PolarHBondContact O-N 3.24Å; R105-Y193 VanDerWaalsContact NE-CE2 3.33Å; R105-Y193 PolarHBondContact NH1-O 2.86Å; R105-Y193 PolarHBondContact NH2-OH 3.36Å; R105-I196 HydrophobicContact CB-CG2 4.21Å; R105-I196 HydrophobicContact CG-CG2 4.19Å | ||
| 106 | G | 84.6 | Confident | 88.5 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 59.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y3 L122 | Y3-G106 WeakPolarHBondContact OH-CA 3.39Å; G106-L122 PolarHBondContact O-N 3.04Å |
| 107 | L | 92.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 130.9 | 177.3 | -64.7 | 172.3 | 0 | 0 | 0 | 109.9 | H100 R105 V119 Y120 F121 I132 F148 F174 I196 | H100-L107 HydrophobicContact CB-CB 3.68Å; H100-L107 PolarHBondContact N-O 2.9Å; R105-L107 PolarHBondContact O-N 3.24Å; L107-V119 HydrophobicContact CD2-CG1 4.47Å; L107-Y120 CarbonylContact C-O 3.49Å; L107-Y120 WeakPolarHBondContact CA-O 3.19Å; L107-F121 HydrophobicContact CD2-CB 4.24Å; L107-F121 HydrophobicContact CD2-CD2 3.95Å; L107-I132 HydrophobicContact CD2-CD1 3.18Å; L107-F148 HydrophobicContact CB-CE1 4.4Å; L107-F148 HydrophobicContact CB-CZ 4.09Å; L107-F174 HydrophobicContact CD1-CB 3.58Å; L107-F174 HydrophobicContact CD1-CD1 3.44Å; L107-F174 VanDerWaalsContact CD1-CD1 3.44Å; L107-F174 HydrophobicContact CD1-CD2 3.62Å; L107-F174 HydrophobicContact CD1-CE1 4.04Å; L107-F174 HydrophobicContact CD1-CE2 4.18Å; L107-F174 HydrophobicContact CD1-CG 3.21Å; L107-F174 HydrophobicContact CD1-CZ 4.4Å; L107-I196 HydrophobicContact CD1-CG1 4.41Å; L107-I196 HydrophobicContact CD2-CD1 3.84Å; L107-I196 HydrophobicContact CD2-CG1 4.4Å |
| 108 | I | 94.9 | Very high | 88.4 | Confident | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 117.7 | -175.4 | -59.3 | 163.2 | 0 | 0 | 0 | 107.5 | V34 L50 V52 A98 V99 V110 V119 Y120 L129 | V34-I108 HydrophobicContact CG1-CD1 3.88Å; V34-I108 HydrophobicContact CG1-CG1 4.26Å; V34-I108 HydrophobicContact CG1-CG2 3.8Å; V34-I108 HydrophobicContact CG2-CD1 3.84Å; V34-I108 HydrophobicContact CG2-CG1 4.23Å; L50-I108 HydrophobicContact CD1-CG2 4.08Å; L50-I108 HydrophobicContact CD2-CG2 3.99Å; V52-I108 HydrophobicContact CG2-CD1 3.99Å; A98-I108 CarbonylContact O-C 3.48Å; A98-I108 WeakPolarHBondContact O-CA 3.5Å; V99-I108 HydrophobicContact CG2-CG1 4.5Å; I108-V110 HydrophobicContact CG2-CG2 4.35Å; I108-V119 CarbonylContact O-C 3.6Å; I108-V119 WeakPolarHBondContact O-CA 3.31Å; I108-Y120 PolarHBondContact N-O 2.86Å; I108-Y120 PolarHBondContact O-N 3.23Å; I108-L129 HydrophobicContact CD1-CD2 3.75Å |
| 109 | G | 95.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 139 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | L97 A98 D118 | L97-G109 CarbonylContact C-O 3.53Å; L97-G109 WeakPolarHBondContact CA-O 3.39Å; A98-G109 PolarHBondContact N-O 2.9Å; A98-G109 PolarHBondContact O-N 3.35Å; G109-D118 CarbonylContact C-O 3.54Å; G109-D118 WeakPolarHBondContact CA-O 3.46Å |
| 110 | V | 96.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 125.5 | 175.1 | -179 | 0 | 0 | 0 | 0 | 108.2 | L50 L88 P94 I108 V117 D118 Y120 L146 | L50-V110 HydrophobicContact CD1-CG2 4.08Å; L50-V110 HydrophobicContact CD2-CG2 4.03Å; L88-V110 HydrophobicContact CD1-CG1 4.3Å; P94-V110 HydrophobicContact CB-CG1 3.82Å; I108-V110 HydrophobicContact CG2-CG2 4.35Å; V110-V117 CarbonylContact O-C 3.53Å; V110-V117 WeakPolarHBondContact O-CA 3.23Å; V110-D118 PolarHBondContact N-O 3.35Å; V110-D118 PolarHBondContact O-N 3.13Å; V110-Y120 HydrophobicContact CB-CE2 4.46Å; V110-Y120 HydrophobicContact CG2-CD2 4.16Å; V110-Y120 HydrophobicContact CG2-CE2 4.13Å; V110-L146 VanDerWaalsContact C-CD1 3.41Å |
| 111 | G | 96.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 140.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | P94 A95 C96 | P94-G111 CarbonylContact C-O 3.48Å; P94-G111 WeakPolarHBondContact CA-O 3.06Å; A95-G111 PolarHBondContact N-O 2.89Å; C96-G111 PolarHBondContact N-O 2.8Å; C96-G111 PolarHBondContact O-N 3.02Å |
| 112 | T | 94.8 | Very high | 89.1 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.006 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 164.2 | -174.1 | 64.6 | 0 | 0 | 0 | 0 | 112.2 | H92 L93 E114 G115 R116 V143 | H92-T112 HydrophobicContact CB-CG2 4.16Å; L93-T112 CarbonylContact O-C 3.59Å; L93-T112 WeakPolarHBondContact O-CA 3.33Å; L93-T112 WeakPolarHBondContact O-CB 3.48Å; T112-E114 WeakPolarHBondContact CB-OE2 3.33Å; T112-E114 PolarHBondContact O-N 3.06Å; T112-G115 PolarHBondContact O-N 3.16Å; T112-R116 HydrophobicContact CG2-CB 4.34Å; T112-R116 HydrophobicContact CG2-CG 4.4Å; T112-R116 PolarHBondContact N-O 3.49Å; T112-R116 VanDerWaalsContact OG1-CA 3.31Å; T112-R116 WeakPolarHBondContact OG1-CA 3.41Å; T112-R116 WeakPolarHBondContact OG1-CB 3.42Å; T112-R116 PolarHBondContact OG1-N 2.75Å; T112-R116 PolarHBondContact OG1-O 2.93Å; T112-V143 PolarHBondContact O-N 2.94Å; T112-V143 VanDerWaalsContact O-N 3.08Å |
| 113 | M | 92.4 | Very high | 89.4 | Confident | 97 Ų | 97 | 24 Ų | 24 | 48% | 0.478 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -21.6 | 175 | -66.9 | -173.8 | 71.3 | 0 | 0 | 112.5 | L93 A95 G115 F142 | L93-M113 HydrophobicContact CB-CB 4.37Å; L93-M113 HydrophobicContact CB-CG 4.04Å; L93-M113 HydrophobicContact CB-SD 3.81Å; L93-M113 HydrophobicContact CD1-SD 3.87Å; L93-M113 PolarHBondContact O-N 3.48Å; A95-M113 HydrophobicContact CB-CG 3.95Å; M113-G115 VanDerWaalsContact C-N 3.3Å; M113-F142 HydrophobicContact CB-CB 4.45Å; M113-F142 WeakPolarHBondContact O-CA 3.24Å; M113-F142 VanDerWaalsContact O-CB 3.28Å; M113-F142 WeakPolarHBondContact O-CB 3.33Å; M113-F142 PolarHBondContact O-N 3.33Å |
| 114 | E | 90.9 | Very high | 89.9 | Confident | 71 Ų | 71 | 16.8 Ų | 16.8 | 33% | 0.332 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 5.5 | -179.7 | -58 | 69.4 | -146.2 | 0 | 0 | 112.7 | G91 H92 L93 T112 R116 | G91-E114 VanDerWaalsContact O-OE1 3.14Å; H92-E114 VanDerWaalsContact CA-OE2 3.26Å; H92-E114 WeakPolarHBondContact CA-OE2 3.48Å; H92-E114 IonicContact CG-OE2 3.97Å; H92-E114 IonicContact ND1-OE2 3.45Å; H92-E114 PolarHBondContact ND1-OE2 2.82Å; L93-E114 PolarHBondContact N-OE2 3.07Å; T112-E114 WeakPolarHBondContact CB-OE2 3.33Å; T112-E114 PolarHBondContact O-N 3.06Å; E114-R116 VanDerWaalsContact C-N 3.3Å; E114-R116 PolarHBondContact O-N 3.03Å |
| 115 | G | 93.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | S | Bend | trans | 80.3 | 9.9 | -180 | 0 | 0 | 0 | 0 | 0 | 114.4 | T112 M113 A138 H139 I141 | T112-G115 PolarHBondContact O-N 3.16Å; M113-G115 VanDerWaalsContact C-N 3.3Å; G115-A138 WeakPolarHBondContact O-CB 3.38Å; G115-A138 PolarHBondContact O-N 3.46Å; G115-A138 VanDerWaalsContact O-N 3.14Å; G115-H139 WeakPolarHBondContact CA-O 3.42Å; G115-H139 PolarHBondContact O-N 3.05Å; G115-I141 WeakPolarHBondContact CA-O 3.38Å |
| 116 | R | 94.1 | Very high | 90.9 | Very high | 23 Ų | 23 | 19.7 Ų | 19.7 | 9% | 0.087 | 11% | 0.111 | C | C | . | . | trans | -83.4 | 144.5 | 172 | 164.3 | -178 | 177.7 | 158.5 | 10.1 | 111.4 | T112 E114 D118 T134 L135 N136 | T112-R116 HydrophobicContact CG2-CB 4.34Å; T112-R116 HydrophobicContact CG2-CG 4.4Å; T112-R116 PolarHBondContact N-O 3.49Å; T112-R116 VanDerWaalsContact OG1-CA 3.31Å; T112-R116 WeakPolarHBondContact OG1-CA 3.41Å; T112-R116 WeakPolarHBondContact OG1-CB 3.42Å; T112-R116 PolarHBondContact OG1-N 2.75Å; T112-R116 PolarHBondContact OG1-O 2.93Å; E114-R116 VanDerWaalsContact C-N 3.3Å; E114-R116 PolarHBondContact O-N 3.03Å; R116-D118 IonicContact CZ-OD1 3.26Å; R116-D118 VanDerWaalsContact CZ-OD1 3.26Å; R116-D118 IonicContact CZ-OD2 3.53Å; R116-D118 IonicContact NE-OD1 2.84Å; R116-D118 PolarHBondContact NE-OD1 2.9Å; R116-D118 IonicContact NE-OD2 2.88Å; R116-D118 PolarHBondContact NE-OD2 2.94Å; R116-D118 IonicContact NH2-OD1 2.79Å; R116-D118 PolarHBondContact NH2-OD1 3.42Å; R116-D118 IonicContact NH2-OD2 3.55Å; R116-T134 VanDerWaalsContact CZ-CG2 3.49Å; R116-T134 PolarHBondContact NH2-OG1 3.49Å; R116-L135 CarbonylContact C-O 3.58Å; R116-L135 VanDerWaalsContact CA-O 3.26Å; R116-L135 WeakPolarHBondContact CA-O 3.49Å; R116-N136 WeakPolarHBondContact CB-O 3.39Å | ||
| 117 | V | 95.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 128.3 | 173.8 | 176 | 0 | 0 | 0 | 0 | 109.9 | V110 L135 A138 V143 L146 L176 | V110-V117 CarbonylContact O-C 3.53Å; V110-V117 WeakPolarHBondContact O-CA 3.23Å; V117-L135 HydrophobicContact CB-CB 4.39Å; V117-L135 PolarHBondContact N-O 2.76Å; V117-L135 PolarHBondContact O-N 3.09Å; V117-A138 HydrophobicContact CB-CB 4.06Å; V117-A138 HydrophobicContact CG2-CB 3.63Å; V117-V143 HydrophobicContact CG2-CG1 4.37Å; V117-V143 HydrophobicContact CG2-CG2 3.95Å; V117-L146 HydrophobicContact CG1-CD1 4.38Å; V117-L146 HydrophobicContact CG1-CD2 4.17Å; V117-L146 HydrophobicContact CG2-CD2 4.1Å; V117-L176 HydrophobicContact CG1-CD2 3.44Å; V117-L176 VanDerWaalsContact CG1-CD2 3.44Å |
| 118 | D | 95.1 | Very high | 90.6 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 140.9 | 177.4 | -64.7 | -54.4 | 0 | 0 | 0 | 110.2 | G109 V110 R116 Y120 T134 | G109-D118 CarbonylContact C-O 3.54Å; G109-D118 WeakPolarHBondContact CA-O 3.46Å; V110-D118 PolarHBondContact N-O 3.35Å; V110-D118 PolarHBondContact O-N 3.13Å; R116-D118 IonicContact CZ-OD1 3.26Å; R116-D118 VanDerWaalsContact CZ-OD1 3.26Å; R116-D118 IonicContact CZ-OD2 3.53Å; R116-D118 IonicContact NE-OD1 2.84Å; R116-D118 PolarHBondContact NE-OD1 2.9Å; R116-D118 IonicContact NE-OD2 2.88Å; R116-D118 PolarHBondContact NE-OD2 2.94Å; R116-D118 IonicContact NH2-OD1 2.79Å; R116-D118 PolarHBondContact NH2-OD1 3.42Å; R116-D118 IonicContact NH2-OD2 3.55Å; D118-Y120 HydrophobicContact CB-CD2 4.29Å; D118-Y120 HydrophobicContact CB-CE2 3.48Å; D118-Y120 VanDerWaalsContact CB-CE2 3.48Å; D118-T134 WeakPolarHBondContact OD1-CB 3.45Å; D118-T134 VanDerWaalsContact OD1-CG2 3.27Å; D118-T134 WeakPolarHBondContact OD1-CG2 3.34Å; D118-T134 PolarHBondContact OD1-OG1 2.93Å |
| 119 | V | 94.7 | Very high | 90.4 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 128 | 171.5 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | L107 I108 I132 Y133 F148 L176 | L107-V119 HydrophobicContact CD2-CG1 4.47Å; I108-V119 CarbonylContact O-C 3.6Å; I108-V119 WeakPolarHBondContact O-CA 3.31Å; V119-I132 HydrophobicContact CG1-CD1 4.01Å; V119-I132 PolarHBondContact O-N 3.3Å; V119-Y133 HydrophobicContact CB-CD1 3.78Å; V119-Y133 HydrophobicContact CB-CE1 3.41Å; V119-Y133 VanDerWaalsContact CB-CE1 3.41Å; V119-Y133 HydrophobicContact CB-CE2 4.45Å; V119-Y133 HydrophobicContact CB-CG 4.46Å; V119-Y133 HydrophobicContact CG1-CD1 4.38Å; V119-Y133 HydrophobicContact CG1-CE1 3.91Å; V119-Y133 HydrophobicContact CG2-CD1 4.21Å; V119-Y133 HydrophobicContact CG2-CE1 3.41Å; V119-Y133 VanDerWaalsContact CG2-CE1 3.41Å; V119-Y133 HydrophobicContact CG2-CE2 3.95Å; V119-Y133 VanDerWaalsContact CG2-OH 3.26Å; V119-Y133 WeakPolarHBondContact CG2-OH 3.2Å; V119-Y133 PolarHBondContact N-O 2.76Å; V119-F148 HydrophobicContact CG1-CE1 4.45Å; V119-F148 HydrophobicContact CG1-CZ 4.28Å; V119-L176 HydrophobicContact CG2-CD2 3.89Å |
| 120 | Y | 94.2 | Very high | 90.2 | Very high | 5 Ų | 5 | 27.2 Ų | 27.2 | 2% | 0.02 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 146.5 | -179.8 | -61.4 | -88.9 | 0 | 0 | 0 | 110.9 | L50 I86 L88 L107 I108 V110 D118 I130 N131 | L50-Y120 HydrophobicContact CD2-CD2 3.55Å; L50-Y120 HydrophobicContact CD2-CE2 4.09Å; L50-Y120 HydrophobicContact CD2-CG 3.83Å; I86-Y120 HydrophobicContact CD1-CD1 4.14Å; I86-Y120 HydrophobicContact CD1-CE1 3.79Å; I86-Y120 HydrophobicContact CG1-CE1 4.45Å; I86-Y120 HydrophobicContact CG2-CD1 4.13Å; I86-Y120 HydrophobicContact CG2-CE1 3.97Å; L88-Y120 HydrophobicContact CD2-CE2 3.97Å; L88-Y120 VanDerWaalsContact CD2-OH 3.23Å; L88-Y120 WeakPolarHBondContact CD2-OH 3.29Å; L107-Y120 CarbonylContact C-O 3.49Å; L107-Y120 WeakPolarHBondContact CA-O 3.19Å; I108-Y120 PolarHBondContact N-O 2.86Å; I108-Y120 PolarHBondContact O-N 3.23Å; V110-Y120 HydrophobicContact CB-CE2 4.46Å; V110-Y120 HydrophobicContact CG2-CD2 4.16Å; V110-Y120 HydrophobicContact CG2-CE2 4.13Å; D118-Y120 HydrophobicContact CB-CD2 4.29Å; D118-Y120 HydrophobicContact CB-CE2 3.48Å; D118-Y120 VanDerWaalsContact CB-CE2 3.48Å; Y120-I130 CarbonylContact C-O 3.34Å; Y120-I130 VanDerWaalsContact CA-O 3.24Å; Y120-I130 WeakPolarHBondContact CA-O 3.43Å; Y120-N131 HydrophobicContact CD1-CB 3.94Å; Y120-N131 HydrophobicContact CE1-CB 3.71Å; Y120-N131 WeakPolarHBondContact CE1-ND2 3.39Å |
| 121 | F | 92.2 | Very high | 90 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 124.3 | 169.5 | 177.1 | -110.2 | 0 | 0 | 0 | 109.5 | L107 S123 L129 I130 I132 I196 L199 | L107-F121 HydrophobicContact CD2-CB 4.24Å; L107-F121 HydrophobicContact CD2-CD2 3.95Å; F121-S123 PolarHBondContact O-N 3.42Å; F121-L129 WeakPolarHBondContact O-CA 3.44Å; F121-I130 PolarHBondContact N-O 3.42Å; F121-I130 PolarHBondContact O-N 2.97Å; F121-I132 HydrophobicContact CB-CD1 3.55Å; F121-I132 HydrophobicContact CB-CG1 3.72Å; F121-I196 HydrophobicContact CD2-CG2 4.17Å; F121-I196 HydrophobicContact CE2-CG2 3.87Å; F121-L199 HydrophobicContact CD1-CB 4.03Å; F121-L199 HydrophobicContact CE1-CB 3.92Å; F121-L199 HydrophobicContact CZ-CB 4.47Å |
| 122 | L | 91.2 | Very high | 89.7 | Confident | 3 Ų | 3 | 30.9 Ų | 30.9 | 2% | 0.016 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 109 | 167.3 | -177.1 | 62.8 | 0 | 0 | 0 | 109.2 | Y3 M32 V52 F83 A84 G106 P124 L129 | Y3-L122 HydrophobicContact CE2-CD2 4.43Å; Y3-L122 WeakPolarHBondContact OH-CD2 3.36Å; M32-L122 HydrophobicContact SD-CD2 3.52Å; M32-L122 VanDerWaalsContact SD-CD2 3.52Å; V52-L122 HydrophobicContact CB-CD2 4.46Å; V52-L122 HydrophobicContact CG1-CD2 3.88Å; V52-L122 HydrophobicContact CG2-CD1 4.33Å; V52-L122 HydrophobicContact CG2-CD2 4.2Å; F83-L122 HydrophobicContact CD1-CD1 4.14Å; F83-L122 HydrophobicContact CD1-CD2 4.22Å; F83-L122 HydrophobicContact CE1-CD1 3.99Å; F83-L122 HydrophobicContact CE1-CD2 3.98Å; F83-L122 HydrophobicContact CE1-CG 4.26Å; A84-L122 HydrophobicContact CB-CD1 3.56Å; G106-L122 PolarHBondContact O-N 3.04Å; L122-P124 WeakPolarHBondContact O-CD 3.33Å; L122-L129 HydrophobicContact CB-CD2 3.99Å; L122-L129 HydrophobicContact CD1-CD2 3.93Å; L122-L129 HydrophobicContact CD1-CG 4.23Å |
| 123 | S | 85.3 | Confident | 89.6 | Confident | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 119.3 | 176.4 | 178.3 | 0 | 0 | 0 | 0 | 110.6 | F121 S125 T126 H127 C128 | F121-S123 PolarHBondContact O-N 3.42Å; S123-S125 VanDerWaalsContact C-N 3.25Å; S123-S125 PolarHBondContact O-N 3.15Å; S123-S125 PolarHBondContact OG-OG 3.09Å; S123-T126 WeakPolarHBondContact CB-OG1 3.5Å; S123-T126 PolarHBondContact OG-N 3Å; S123-T126 PolarHBondContact OG-OG1 3.33Å; S123-H127 WeakPolarHBondContact O-CA 3.28Å; S123-H127 PolarHBondContact O-N 3.02Å; S123-H127 VanDerWaalsContact O-N 3.08Å; S123-C128 PolarHBondContact N-O 3.02Å |
| 124 | P | 76.7 | Confident | 89.6 | Confident | 50 Ų | 50 | 30.2 Ų | 30.2 | 33% | 0.325 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -26 | 178.4 | -19.5 | 32.6 | 0 | 0 | 0 | 113.3 | L122 | L122-P124 WeakPolarHBondContact O-CD 3.33Š|
| 125 | S | 77.6 | Confident | 89.7 | Confident | 74 Ų | 74 | 29.4 Ų | 29.4 | 52% | 0.517 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -36 | -175 | 53.7 | 0 | 0 | 0 | 0 | 113 | S123 | S123-S125 VanDerWaalsContact C-N 3.25Å; S123-S125 PolarHBondContact O-N 3.15Å; S123-S125 PolarHBondContact OG-OG 3.09Å |
| 126 | T | 80.5 | Confident | 89.6 | Confident | 82 Ų | 82 | 33.8 Ų | 33.8 | 50% | 0.503 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | -1.7 | -174.8 | 54.8 | 0 | 0 | 0 | 0 | 113.2 | S123 C128 | S123-T126 WeakPolarHBondContact CB-OG1 3.5Å; S123-T126 PolarHBondContact OG-N 3Å; S123-T126 PolarHBondContact OG-OG1 3.33Å; T126-C128 PolarHBondContact O-N 2.91Å; T126-C128 VanDerWaalsContact O-N 3.11Å; T126-C128 PolarHBondContact OG1-SG 3.41Å |
| 127 | H | 83.5 | Confident | 89.4 | Confident | 78 Ų | 78 | 39.6 Ų | 39.6 | 36% | 0.361 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 35.5 | -179.1 | -60.6 | -94.7 | 0 | 0 | 0 | 112.7 | F83 A84 S123 | F83-H127 AromaticContact CD2-ND1 3.83Å; F83-H127 HydrophobicContact CE1-CB 4.33Å; F83-H127 AromaticContact CE1-ND1 3.55Å; F83-H127 AromaticContact CE2-CE1 3.45Å; F83-H127 VanDerWaalsContact CE2-CE1 3.45Å; F83-H127 WeakPolarHBondContact CE2-CE1 3.31Å; F83-H127 AromaticContact CE2-ND1 2.99Å; F83-H127 WeakPolarHBondContact CE2-ND1 3.36Å; F83-H127 HydrophobicContact CZ-CB 4.43Å; F83-H127 AromaticContact CZ-CE1 3.43Å; F83-H127 VanDerWaalsContact CZ-CE1 3.43Å; F83-H127 WeakPolarHBondContact CZ-CE1 3.25Å; F83-H127 AromaticContact CZ-CG 3.9Å; F83-H127 AromaticContact CZ-ND1 2.83Å; F83-H127 WeakPolarHBondContact CZ-ND1 3.33Å; A84-H127 VanDerWaalsContact CB-O 3.24Å; A84-H127 WeakPolarHBondContact CB-O 3.29Å; S123-H127 WeakPolarHBondContact O-CA 3.28Å; S123-H127 PolarHBondContact O-N 3.02Å; S123-H127 VanDerWaalsContact O-N 3.08Å |
| 128 | C | 88.1 | Confident | 89.2 | Confident | 46 Ų | 46 | 39.9 Ų | 39.9 | 31% | 0.311 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 152.7 | -176.5 | 75.7 | 0 | 0 | 0 | 0 | 111.8 | S123 T126 | S123-C128 PolarHBondContact N-O 3.02Å; T126-C128 PolarHBondContact O-N 2.91Å; T126-C128 VanDerWaalsContact O-N 3.11Å; T126-C128 PolarHBondContact OG1-SG 3.41Å |
| 129 | L | 91.4 | Very high | 89.2 | Confident | 12 Ų | 12 | 40 Ų | 40 | 6% | 0.063 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 126.4 | 172.8 | -69.9 | 165.6 | 0 | 0 | 0 | 109.1 | L50 V52 A84 I86 I108 F121 L122 | L50-L129 HydrophobicContact CB-CD1 4.49Å; L50-L129 HydrophobicContact CD2-CD1 3.98Å; L50-L129 HydrophobicContact CD2-CD2 4.48Å; L50-L129 HydrophobicContact CG-CD1 3.96Å; V52-L129 HydrophobicContact CG2-CD1 4.17Å; V52-L129 HydrophobicContact CG2-CD2 4.03Å; V52-L129 HydrophobicContact CG2-CG 4.41Å; A84-L129 HydrophobicContact CB-CD1 4.49Å; A84-L129 HydrophobicContact CB-CG 4.16Å; I86-L129 HydrophobicContact CB-CB 4.03Å; I86-L129 HydrophobicContact CB-CD1 4.23Å; I86-L129 HydrophobicContact CG2-CB 3.83Å; I86-L129 HydrophobicContact CG2-CD1 3.64Å; I86-L129 HydrophobicContact CG2-CG 4.4Å; I108-L129 HydrophobicContact CD1-CD2 3.75Å; F121-L129 WeakPolarHBondContact O-CA 3.44Å; L122-L129 HydrophobicContact CB-CD2 3.99Å; L122-L129 HydrophobicContact CD1-CD2 3.93Å; L122-L129 HydrophobicContact CD1-CG 4.23Å |
| 130 | I | 90.5 | Very high | 89 | Confident | 25 Ų | 25 | 44.4 Ų | 44.4 | 13% | 0.128 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 124.2 | 179.9 | -56.7 | 174.6 | 0 | 0 | 0 | 107.8 | Y120 F121 I132 | Y120-I130 CarbonylContact C-O 3.34Å; Y120-I130 VanDerWaalsContact CA-O 3.24Å; Y120-I130 WeakPolarHBondContact CA-O 3.43Å; F121-I130 PolarHBondContact N-O 3.42Å; F121-I130 PolarHBondContact O-N 2.97Å; I130-I132 PolarHBondContact O-N 3.48Å |
| 131 | N | 92.4 | Very high | 88.7 | Confident | 51 Ų | 51 | 48.3 Ų | 48.3 | 27% | 0.273 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 121.5 | 171.6 | -173.1 | -96.7 | 0 | 0 | 0 | 109 | Y120 Y133 T134 | Y120-N131 HydrophobicContact CD1-CB 3.94Å; Y120-N131 HydrophobicContact CE1-CB 3.71Å; Y120-N131 WeakPolarHBondContact CE1-ND2 3.39Å; N131-Y133 PolarHBondContact ND2-O 3.3Å; N131-T134 PolarHBondContact ND2-OG1 2.98Å; N131-T134 PolarHBondContact OD1-OG1 2.89Å; N131-T134 VanDerWaalsContact OD1-OG1 3.05Å |
| 132 | I | 90 | Very high | 88.7 | Confident | 26 Ų | 26 | 52 Ų | 52 | 13% | 0.133 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | -47.9 | 179.4 | -55.2 | 166.3 | 0 | 0 | 0 | 109.7 | L107 V119 F121 I130 P191 I196 L199 | L107-I132 HydrophobicContact CD2-CD1 3.18Å; V119-I132 HydrophobicContact CG1-CD1 4.01Å; V119-I132 PolarHBondContact O-N 3.3Å; F121-I132 HydrophobicContact CB-CD1 3.55Å; F121-I132 HydrophobicContact CB-CG1 3.72Å; I130-I132 PolarHBondContact O-N 3.48Å; I132-P191 HydrophobicContact CD1-CG 4.39Å; I132-P191 HydrophobicContact CG2-CB 3.9Å; I132-P191 HydrophobicContact CG2-CG 3.89Å; I132-I196 HydrophobicContact CD1-CD1 3.66Å; I132-L199 HydrophobicContact CG1-CD1 4.39Å |
| 133 | Y | 91.2 | Very high | 88.9 | Confident | 37 Ų | 37 | 51.9 Ų | 51.9 | 15% | 0.145 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 158 | 176.2 | 73.9 | -91.7 | 0 | 0 | 0 | 111.2 | V119 N131 L135 | V119-Y133 HydrophobicContact CB-CD1 3.78Å; V119-Y133 HydrophobicContact CB-CE1 3.41Å; V119-Y133 VanDerWaalsContact CB-CE1 3.41Å; V119-Y133 HydrophobicContact CB-CE2 4.45Å; V119-Y133 HydrophobicContact CB-CG 4.46Å; V119-Y133 HydrophobicContact CG1-CD1 4.38Å; V119-Y133 HydrophobicContact CG1-CE1 3.91Å; V119-Y133 HydrophobicContact CG2-CD1 4.21Å; V119-Y133 HydrophobicContact CG2-CE1 3.41Å; V119-Y133 VanDerWaalsContact CG2-CE1 3.41Å; V119-Y133 HydrophobicContact CG2-CE2 3.95Å; V119-Y133 VanDerWaalsContact CG2-OH 3.26Å; V119-Y133 WeakPolarHBondContact CG2-OH 3.2Å; V119-Y133 PolarHBondContact N-O 2.76Å; N131-Y133 PolarHBondContact ND2-O 3.3Å; Y133-L135 HydrophobicContact CD2-CD1 4.33Å; Y133-L135 HydrophobicContact CD2-CD2 4.45Å; Y133-L135 HydrophobicContact CD2-CG 3.95Å; Y133-L135 HydrophobicContact CE2-CD1 3.8Å; Y133-L135 HydrophobicContact CE2-CG 3.92Å |
| 134 | T | 93.2 | Very high | 89.4 | Confident | 47 Ų | 47 | 54.9 Ų | 54.9 | 29% | 0.288 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 133.8 | -179.3 | -67.8 | 0 | 0 | 0 | 0 | 108.1 | R116 D118 N131 N136 | R116-T134 VanDerWaalsContact CZ-CG2 3.49Å; R116-T134 PolarHBondContact NH2-OG1 3.49Å; D118-T134 WeakPolarHBondContact OD1-CB 3.45Å; D118-T134 VanDerWaalsContact OD1-CG2 3.27Å; D118-T134 WeakPolarHBondContact OD1-CG2 3.34Å; D118-T134 PolarHBondContact OD1-OG1 2.93Å; N131-T134 PolarHBondContact ND2-OG1 2.98Å; N131-T134 PolarHBondContact OD1-OG1 2.89Å; N131-T134 VanDerWaalsContact OD1-OG1 3.05Å; T134-N136 WeakPolarHBondContact CG2-OD1 3.49Å |
| 135 | L | 93 | Very high | 90.3 | Very high | 54 Ų | 54 | 54.7 Ų | 54.7 | 28% | 0.283 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 93.9 | 172.2 | -61.4 | 174.7 | 0 | 0 | 0 | 108.4 | R116 V117 Y133 N137 A138 H188 | R116-L135 CarbonylContact C-O 3.58Å; R116-L135 VanDerWaalsContact CA-O 3.26Å; R116-L135 WeakPolarHBondContact CA-O 3.49Å; V117-L135 HydrophobicContact CB-CB 4.39Å; V117-L135 PolarHBondContact N-O 2.76Å; V117-L135 PolarHBondContact O-N 3.09Å; Y133-L135 HydrophobicContact CD2-CD1 4.33Å; Y133-L135 HydrophobicContact CD2-CD2 4.45Å; Y133-L135 HydrophobicContact CD2-CG 3.95Å; Y133-L135 HydrophobicContact CE2-CD1 3.8Å; Y133-L135 HydrophobicContact CE2-CG 3.92Å; L135-N137 VanDerWaalsContact C-N 3.29Å; L135-N137 PolarHBondContact O-N 3.04Å; L135-A138 HydrophobicContact CB-CB 3.99Å; L135-H188 HydrophobicContact CD1-CB 3.73Å; L135-H188 WeakPolarHBondContact CD1-ND1 3.43Å |
| 136 | N | 91.1 | Very high | 91.2 | Very high | 91 Ų | 91 | 52.1 Ų | 52.1 | 49% | 0.487 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -34.1 | -174.1 | -72.6 | -30.6 | 0 | 0 | 0 | 113.5 | R116 T134 | R116-N136 WeakPolarHBondContact CB-O 3.39Å; T134-N136 WeakPolarHBondContact CG2-OD1 3.49Å |
| 137 | N | 90.3 | Very high | 91.8 | Very high | 146 Ų | 146 | 52 Ų | 52 | 78% | 0.781 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.4 | 45.1 | -176.4 | -59.9 | -32.8 | 0 | 0 | 0 | 110.3 | L135 H139 | L135-N137 VanDerWaalsContact C-N 3.29Å; L135-N137 PolarHBondContact O-N 3.04Å; N137-H139 PolarHBondContact O-N 2.91Å |
| 138 | A | 91.7 | Very high | 92.2 | Very high | 6 Ų | 6 | 48.9 Ų | 48.9 | 5% | 0.05 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -58.1 | -44.6 | 177 | 0 | 0 | 0 | 0 | 0 | 109.6 | G115 V117 L135 K186 | G115-A138 WeakPolarHBondContact O-CB 3.38Å; G115-A138 PolarHBondContact O-N 3.46Å; G115-A138 VanDerWaalsContact O-N 3.14Å; V117-A138 HydrophobicContact CB-CB 4.06Å; V117-A138 HydrophobicContact CG2-CB 3.63Å; L135-A138 HydrophobicContact CB-CB 3.99Å; A138-K186 WeakPolarHBondContact O-CD 3.41Å; A138-K186 WeakPolarHBondContact O-CE 3.43Å; A138-K186 PolarHBondContact O-NZ 3.37Å |
| 139 | H | 93.9 | Very high | 92.1 | Very high | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.019 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -130.2 | 154.2 | 174.5 | -69.5 | -67.4 | 0 | 0 | 0 | 111 | G115 N137 I141 S178 S180 L184 | G115-H139 WeakPolarHBondContact CA-O 3.42Å; G115-H139 PolarHBondContact O-N 3.05Å; N137-H139 PolarHBondContact O-N 2.91Å; H139-I141 WeakPolarHBondContact CB-O 3.49Å; H139-I141 PolarHBondContact O-N 2.88Å; H139-S178 WeakPolarHBondContact NE2-CB 3.45Å; H139-S178 PolarHBondContact NE2-O 3.06Å; H139-S178 PolarHBondContact NE2-OG 2.82Å; H139-S180 PolarHBondContact CE1-OG 2.91Å; H139-S180 PolarHBondContact ND1-OG 3.49Å; H139-L184 PolarHBondContact CE1-O 3.1Å |
| 140 | P | 90.4 | Very high | 91.3 | Very high | 93 Ų | 93 | 57.6 Ų | 57.6 | 60% | 0.604 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -71 | -21.4 | 176.4 | 28.3 | -33.7 | 0 | 0 | 0 | 112.9 | D182 | P140-D182 WeakPolarHBondContact CD-OD2 3.34Å; P140-D182 WeakPolarHBondContact CG-OD2 3.32Å |
| 141 | I | 89.4 | Confident | 90.1 | Very high | 86 Ų | 86 | 59.8 Ų | 59.8 | 44% | 0.441 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -138.9 | 176.3 | -175.5 | -45.1 | 174.9 | 0 | 0 | 0 | 108.3 | G115 H139 V143 V181 | G115-I141 WeakPolarHBondContact CA-O 3.38Å; H139-I141 WeakPolarHBondContact CB-O 3.49Å; H139-I141 PolarHBondContact O-N 2.88Å; I141-V143 PolarHBondContact O-N 3.42Å; I141-V181 HydrophobicContact CB-CG2 3.95Å; I141-V181 HydrophobicContact CG2-CG2 3.62Å |
| 142 | F | 91.5 | Very high | 88.5 | Confident | 79 Ų | 79 | 60.9 Ų | 60.9 | 35% | 0.346 | 32% | 0.321 | S | S | . | . | trans | -44.9 | 134.5 | -175.7 | 71.3 | -100.3 | 0 | 0 | 0 | 115.1 | M113 T144 S180 V181 | M113-F142 HydrophobicContact CB-CB 4.45Å; M113-F142 WeakPolarHBondContact O-CA 3.24Å; M113-F142 VanDerWaalsContact O-CB 3.28Å; M113-F142 WeakPolarHBondContact O-CB 3.33Å; M113-F142 PolarHBondContact O-N 3.33Å; F142-T144 HydrophobicContact CD2-CG2 3.66Å; F142-T144 HydrophobicContact CE2-CG2 3.28Å; F142-T144 HydrophobicContact CZ-CG2 4.34Å; F142-T144 PolarHBondContact O-N 2.9Å; F142-S180 VanDerWaalsContact O-CA 3.3Å; F142-S180 WeakPolarHBondContact O-CA 3.33Å; F142-S180 VanDerWaalsContact O-CB 3.27Å; F142-S180 WeakPolarHBondContact O-CB 3.5Å; F142-V181 HydrophobicContact CB-CG2 4.29Å; F142-V181 HydrophobicContact CD1-CB 4.21Å; F142-V181 HydrophobicContact CD1-CG1 4.36Å; F142-V181 HydrophobicContact CD1-CG2 3.03Å; F142-V181 HydrophobicContact CD2-CG2 3.49Å; F142-V181 VanDerWaalsContact CD2-CG2 3.49Å; F142-V181 HydrophobicContact CE1-CB 3.7Å; F142-V181 HydrophobicContact CE1-CG1 3.38Å; F142-V181 HydrophobicContact CE1-CG2 2.98Å; F142-V181 HydrophobicContact CE2-CB 4.09Å; F142-V181 HydrophobicContact CE2-CG1 3.99Å; F142-V181 HydrophobicContact CE2-CG2 3.47Å; F142-V181 VanDerWaalsContact CE2-CG2 3.47Å; F142-V181 HydrophobicContact CG-CG2 3.27Å; F142-V181 HydrophobicContact CZ-CB 3.63Å; F142-V181 HydrophobicContact CZ-CG1 3.15Å; F142-V181 HydrophobicContact CZ-CG2 3.21Å; F142-V181 WeakPolarHBondContact O-CG2 3.38Å; F142-V181 PolarHBondContact O-N 3.2Å | ||
| 143 | V | 95.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 116 | 173.2 | -169.1 | 0 | 0 | 0 | 0 | 108.4 | A95 C96 T112 V117 I141 L146 V179 | A95-V143 VanDerWaalsContact CB-O 3.29Å; A95-V143 WeakPolarHBondContact CB-O 3.39Å; C96-V143 PolarHBondContact SG-O 2.93Å; T112-V143 PolarHBondContact O-N 2.94Å; T112-V143 VanDerWaalsContact O-N 3.08Å; V117-V143 HydrophobicContact CG2-CG1 4.37Å; V117-V143 HydrophobicContact CG2-CG2 3.95Å; I141-V143 PolarHBondContact O-N 3.42Å; V143-L146 HydrophobicContact CG1-CD2 3.86Å; V143-L146 HydrophobicContact CG1-CG 4.06Å; V143-V179 CarbonylContact C-O 3.44Å; V143-V179 WeakPolarHBondContact CA-O 3.26Å; V143-V179 WeakPolarHBondContact CG1-O 3.36Å |
| 144 | T | 95.7 | Very high | 84.8 | Confident | 66 Ų | 66 | 71.1 Ų | 71.1 | 41% | 0.405 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | -38.2 | -178.8 | 46.5 | 0 | 0 | 0 | 0 | 112.6 | F142 V179 | F142-T144 HydrophobicContact CD2-CG2 3.66Å; F142-T144 HydrophobicContact CE2-CG2 3.28Å; F142-T144 HydrophobicContact CZ-CG2 4.34Å; F142-T144 PolarHBondContact O-N 2.9Å; T144-V179 PolarHBondContact N-O 3.15Å; T144-V179 VanDerWaalsContact OG1-C 3.27Å; T144-V179 PolarHBondContact OG1-O 3.4Å |
| 145 | A | 95.8 | Very high | 83 | Confident | 45 Ų | 45 | 73.5 Ų | 73.5 | 37% | 0.372 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 149.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S178 V179 | A145-S178 WeakPolarHBondContact O-CA 3.24Å; A145-V179 HydrophobicContact CB-CB 4.31Å; A145-V179 PolarHBondContact N-O 3.06Å; A145-V179 PolarHBondContact O-N 3.4Å |
| 146 | L | 95.3 | Very high | 81.1 | Confident | 20 Ų | 20 | 74.8 Ų | 74.8 | 11% | 0.105 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 143.1 | 173.3 | -73.4 | -180 | 0 | 0 | 0 | 108.8 | A98 V110 V117 V143 L176 V177 | A98-L146 HydrophobicContact CB-CB 3.72Å; A98-L146 WeakPolarHBondContact CB-O 3.32Å; V110-L146 VanDerWaalsContact C-CD1 3.41Å; V117-L146 HydrophobicContact CG1-CD1 4.38Å; V117-L146 HydrophobicContact CG1-CD2 4.17Å; V117-L146 HydrophobicContact CG2-CD2 4.1Å; V143-L146 HydrophobicContact CG1-CD2 3.86Å; V143-L146 HydrophobicContact CG1-CG 4.06Å; L146-L176 HydrophobicContact CB-CD1 4.47Å; L146-L176 HydrophobicContact CD2-CD2 4.01Å; L146-L176 HydrophobicContact CD2-CG 4.29Å; L146-V177 WeakPolarHBondContact CA-O 3.18Å |
| 147 | T | 94.3 | Very high | 79.2 | Confident | 80 Ų | 80 | 73.1 Ų | 73.1 | 49% | 0.491 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 139.5 | 168.4 | -172 | 0 | 0 | 0 | 0 | 109.9 | L176 V177 | T147-L176 WeakPolarHBondContact O-CD1 3.22Å; T147-V177 HydrophobicContact CG2-CB 4.04Å; T147-V177 PolarHBondContact N-O 2.89Å; T147-V177 PolarHBondContact O-N 2.98Å |
| 148 | F | 91.5 | Very high | 77.4 | Confident | 13 Ų | 13 | 76.3 Ų | 76.3 | 6% | 0.057 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 137.4 | 167 | -73.5 | -80 | 0 | 0 | 0 | 109.2 | A98 H100 L107 V119 R150 D175 L176 | A98-F148 HydrophobicContact CB-CD2 4.19Å; A98-F148 HydrophobicContact CB-CE2 4.19Å; H100-F148 HydrophobicContact CB-CD1 4.43Å; H100-F148 HydrophobicContact CB-CD2 3.78Å; H100-F148 HydrophobicContact CB-CE2 4.02Å; H100-F148 HydrophobicContact CB-CG 3.99Å; H100-F148 HydrophobicContact CB-CZ 4.46Å; H100-F148 AromaticContact CD2-CD1 3.86Å; H100-F148 AromaticContact CD2-CG 3.67Å; L107-F148 HydrophobicContact CB-CE1 4.4Å; L107-F148 HydrophobicContact CB-CZ 4.09Å; V119-F148 HydrophobicContact CG1-CE1 4.45Å; V119-F148 HydrophobicContact CG1-CZ 4.28Å; F148-R150 PolarHBondContact O-N 3.5Å; F148-D175 WeakPolarHBondContact CA-O 3.42Å; F148-L176 HydrophobicContact CD1-CB 4.41Å; F148-L176 HydrophobicContact CD1-CD1 3.77Å; F148-L176 HydrophobicContact CD2-CD1 4.09Å; F148-L176 HydrophobicContact CE1-CB 4.46Å; F148-L176 HydrophobicContact CE1-CD1 3.77Å; F148-L176 HydrophobicContact CE2-CD1 4.1Å; F148-L176 HydrophobicContact CG-CD1 3.94Å; F148-L176 HydrophobicContact CZ-CD1 3.94Å |
| 149 | L | 86.2 | Confident | 75.6 | Confident | 75 Ų | 75 | 81.5 Ų | 81.5 | 39% | 0.393 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 124.8 | 168.9 | -67.3 | 178.9 | 0 | 0 | 0 | 108 | D175 V177 | L149-D175 HydrophobicContact CB-CB 4.23Å; L149-D175 HydrophobicContact CD1-CB 4.06Å; L149-D175 PolarHBondContact N-O 3.23Å; L149-V177 HydrophobicContact CD1-CG2 3.73Å; L149-V177 HydrophobicContact CD2-CG2 3.71Å; L149-V177 HydrophobicContact CG-CG2 3.69Å |
| 150 | R | 74.2 | Confident | 73.4 | Confident | 165 Ų | 165 | 83.8 Ų | 83.8 | 62% | 0.623 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -97.2 | 125.5 | 171 | 178.1 | 175 | 156 | 142.4 | 0.6 | 107.6 | F148 D152 | F148-R150 PolarHBondContact O-N 3.5Å; R150-D152 IonicContact CZ-OD1 3.55Å; R150-D152 IonicContact NE-OD1 2.77Å; R150-D152 PolarHBondContact NE-OD1 3.49Å; R150-D152 IonicContact NH2-OD1 2.99Å; R150-D152 PolarHBondContact NH2-OD1 2.91Å; R150-D152 PolarHBondContact O-N 3.48Å |
| 151 | E | 64.9 | Low | 71.6 | Confident | 71 Ų | 71 | 88.4 Ų | 88.4 | 33% | 0.332 | 46% | 0.46 | S | S | . | . | trans | -72.6 | 99.9 | 167.5 | -169.2 | 172.1 | -178.1 | 0 | 0 | 108.2 | S153 S171 | E151-S153 PolarHBondContact O-N 2.82Å; E151-S171 PolarHBondContact OE1-OG 2.78Å; E151-S171 VanDerWaalsContact OE2-O 3.1Å; E151-S171 PolarHBondContact OE2-OG 2.78Å | ||
| 152 | D | 58.9 | Low | 69.8 | Low | 74 Ų | 74 | 92 Ų | 92 | 40% | 0.396 | 47% | 0.472 | S | S | . | . | trans | -83 | 98.6 | 167.9 | -78.8 | -30.2 | 0 | 0 | 0 | 108.5 | R150 Y154 V155 | R150-D152 IonicContact CZ-OD1 3.55Å; R150-D152 IonicContact NE-OD1 2.77Å; R150-D152 PolarHBondContact NE-OD1 3.49Å; R150-D152 IonicContact NH2-OD1 2.99Å; R150-D152 PolarHBondContact NH2-OD1 2.91Å; R150-D152 PolarHBondContact O-N 3.48Å; D152-Y154 PolarHBondContact O-N 3.12Å; D152-V155 HydrophobicContact CB-CG2 4.18Å; D152-V155 PolarHBondContact O-N 3.23Å | ||
| 153 | S | 53.9 | Low | 67.4 | Low | 85 Ų | 85 | 94.4 Ų | 94.4 | 59% | 0.594 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -51.7 | -23.9 | 178 | -34.7 | 0 | 0 | 0 | 0 | 113 | E151 G157 | E151-S153 PolarHBondContact O-N 2.82Å; S153-G157 PolarHBondContact O-N 2.88Å |
| 154 | Y | 51 | Low | 65.1 | Low | 194 Ų | 194 | 98.7 Ų | 98.7 | 76% | 0.761 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -71.9 | -25.6 | 178.9 | -74.7 | -81.1 | 0 | 0 | 0 | 114.6 | D152 | D152-Y154 PolarHBondContact O-N 3.12Å |
| 155 | V | 55.3 | Low | 62.8 | Low | 96 Ų | 96 | 100.6 Ų | 100.6 | 58% | 0.582 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -80.9 | -41.1 | -178.9 | -178.6 | 0 | 0 | 0 | 0 | 110.7 | D152 G157 R158 | D152-V155 HydrophobicContact CB-CG2 4.18Å; D152-V155 PolarHBondContact O-N 3.23Å; V155-G157 VanDerWaalsContact C-N 3.28Å; V155-G157 PolarHBondContact O-N 2.79Å; V155-R158 PolarHBondContact O-N 3.05Å |
| 156 | L | 51.9 | Low | 60.4 | Low | 81 Ų | 81 | 106.4 Ų | 106.4 | 42% | 0.424 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.1 | -32.9 | 176 | -109 | 73.8 | 0 | 0 | 0 | 112.6 | R158 T159 | L156-R158 VanDerWaalsContact C-N 3.27Å; L156-R158 PolarHBondContact O-N 2.93Å; L156-T159 PolarHBondContact O-OG1 3.33Å |
| 157 | G | 51.1 | Low | 57.9 | Low | 57 Ų | 57 | 109.3 Ų | 109.3 | 59% | 0.588 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.7 | -19.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | S153 V155 | S153-G157 PolarHBondContact O-N 2.88Å; V155-G157 VanDerWaalsContact C-N 3.28Å; V155-G157 PolarHBondContact O-N 2.79Å |
| 158 | R | 52.5 | Low | 55.2 | Low | 213 Ų | 213 | 110.4 Ų | 110.4 | 80% | 0.804 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -91 | -27.5 | -177.8 | -71.3 | -171.4 | -167.9 | -178 | 4 | 114.3 | V155 L156 | V155-R158 PolarHBondContact O-N 3.05Å; L156-R158 VanDerWaalsContact C-N 3.27Å; L156-R158 PolarHBondContact O-N 2.93Å |
| 159 | T | 55.3 | Low | 52.9 | Low | 114 Ų | 114 | 116.4 Ų | 116.4 | 70% | 0.699 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -87.1 | -16.9 | 179.9 | 48.4 | 0 | 0 | 0 | 0 | 112.8 | L156 Q161 | L156-T159 PolarHBondContact O-OG1 3.33Å; T159-Q161 PolarHBondContact O-N 3.46Å |
| 160 | C | 46.6 | Very low | 51.2 | Low | 52 Ų | 52 | 119.9 Ų | 119.9 | 35% | 0.351 | 62% | 0.62 | S | S | . | * | trans | -99.4 | 82.1 | 178.8 | -62.8 | 0 | 0 | 0 | 0 | 111.5 | K162 | C160-K162 PolarHBondContact O-N 3.39Š| ||
| 161 | Q | 53.2 | Low | 50.2 | Low | 190 Ų | 190 | 114.6 Ų | 114.6 | 89% | 0.888 | 61% | 0.609 | S | S | * | * | trans | -76.7 | 11.7 | 169.5 | -74.5 | -170.9 | -9.6 | 0 | 0 | 113.9 | T159 | T159-Q161 PolarHBondContact O-N 3.46Š| ||
| 162 | K | 51.3 | Low | 50.3 | Low | 161 Ų | 161 | 114.9 Ų | 114.9 | 70% | 0.7 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -116.4 | 136.9 | 176.5 | -75.7 | -178.5 | 177 | 178.3 | 0 | 109.5 | C160 I164 | C160-K162 PolarHBondContact O-N 3.39Å; K162-I164 HydrophobicContact CB-CD1 4.32Å; K162-I164 HydrophobicContact CB-CG1 3.92Å; K162-I164 PolarHBondContact O-N 3.48Å |
| 163 | P | 42.4 | Very low | 51.2 | Low | 131 Ų | 131 | 112.1 Ų | 112.1 | 85% | 0.851 | 60% | 0.599 | S | S | * | * | trans | -71.7 | 79.9 | 172.2 | 31.8 | -31.3 | 0 | 0 | 0 | 107.4 | S165 | P163-S165 PolarHBondContact O-N 2.81Š| ||
| 164 | I | 46.9 | Very low | 52.7 | Low | 89 Ų | 89 | 108.9 Ų | 108.9 | 46% | 0.456 | 57% | 0.574 | S | S | . | * | trans | -86.5 | 91.5 | 173.6 | -55 | 171.2 | 0 | 0 | 0 | 105.6 | K162 H166 L167 | K162-I164 HydrophobicContact CB-CD1 4.32Å; K162-I164 HydrophobicContact CB-CG1 3.92Å; K162-I164 PolarHBondContact O-N 3.48Å; I164-H166 PolarHBondContact O-N 3.28Å; I164-L167 HydrophobicContact CB-CD1 3.96Å; I164-L167 HydrophobicContact CD1-CD1 3.71Å; I164-L167 HydrophobicContact CG1-CD1 4.43Å; I164-L167 HydrophobicContact CG2-CB 4.37Å; I164-L167 HydrophobicContact CG2-CD1 3.64Å; I164-L167 PolarHBondContact O-N 3.18Å | ||
| 165 | S | 47.1 | Very low | 54.4 | Low | 107 Ų | 107 | 100 Ų | 100 | 75% | 0.748 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 7.3 | 174.2 | 51.1 | 0 | 0 | 0 | 0 | 114.7 | P163 | P163-S165 PolarHBondContact O-N 2.81Š|
| 166 | H | 45.7 | Very low | 56.2 | Low | 167 Ų | 167 | 95.5 Ų | 95.5 | 77% | 0.773 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.3 | 14.9 | -177.2 | -74.3 | -73.2 | 0 | 0 | 0 | 114.5 | I164 P168 | I164-H166 PolarHBondContact O-N 3.28Å; H166-P168 VanDerWaalsContact O-CD 3.3Å; H166-P168 WeakPolarHBondContact O-CD 3.5Å |
| 167 | L | 42 | Very low | 58.2 | Low | 80 Ų | 80 | 92.8 Ų | 92.8 | 42% | 0.419 | 50% | 0.499 | S | S | . | . | trans | -68.2 | 120.4 | 170.2 | -128.7 | 79.6 | 0 | 0 | 0 | 107.4 | I164 L169 | I164-L167 HydrophobicContact CB-CD1 3.96Å; I164-L167 HydrophobicContact CD1-CD1 3.71Å; I164-L167 HydrophobicContact CG1-CD1 4.43Å; I164-L167 HydrophobicContact CG2-CB 4.37Å; I164-L167 HydrophobicContact CG2-CD1 3.64Å; I164-L167 PolarHBondContact O-N 3.18Å; L167-L169 VanDerWaalsContact C-N 3.3Å; L167-L169 PolarHBondContact O-N 2.87Å | ||
| 168 | P | 38.2 | Very low | 60.3 | Low | 103 Ų | 103 | 90 Ų | 90 | 67% | 0.669 | 47% | 0.471 | S | S | * | . | trans | -65.8 | 98 | 175.4 | 27 | -29.7 | 0 | 0 | 0 | 107.1 | H166 K170 | H166-P168 VanDerWaalsContact O-CD 3.3Å; H166-P168 WeakPolarHBondContact O-CD 3.5Å; P168-K170 HydrophobicContact CB-CB 3.93Å; P168-K170 PolarHBondContact O-N 2.92Å | ||
| 169 | L | 42.5 | Very low | 62.4 | Low | 140 Ų | 140 | 82 Ų | 82 | 73% | 0.733 | 45% | 0.446 | S | S | * | . | trans | -58.6 | 76.9 | 156.3 | -85 | 150.1 | 0 | 0 | 0 | 106.4 | L167 | L167-L169 VanDerWaalsContact C-N 3.3Å; L167-L169 PolarHBondContact O-N 2.87Å | ||
| 170 | K | 51.3 | Low | 64.2 | Low | 147 Ų | 147 | 76.7 Ų | 76.7 | 64% | 0.639 | 41% | 0.414 | S | S | * | . | trans | -162.6 | 45.6 | -164.4 | -129.3 | 176.4 | -172.5 | -178.9 | 0 | 114.4 | P168 D172 | P168-K170 HydrophobicContact CB-CB 3.93Å; P168-K170 PolarHBondContact O-N 2.92Å; K170-D172 WeakPolarHBondContact CE-OD2 3.26Å; K170-D172 HydrophobicContact CG-CB 4.19Å; K170-D172 VanDerWaalsContact CG-OD2 3.29Å; K170-D172 WeakPolarHBondContact CG-OD2 3.49Å; K170-D172 PolarHBondContact O-N 2.79Å; K170-D172 VanDerWaalsContact O-N 3.17Å | ||
| 171 | S | 51.7 | Low | 66.3 | Low | 55 Ų | 55 | 77.1 Ų | 77.1 | 39% | 0.385 | 41% | 0.414 | S | S | . | . | trans | -80.5 | 67.7 | 140.2 | 53.2 | 0 | 0 | 0 | 0 | 108.3 | E151 S173 | E151-S171 PolarHBondContact OE1-OG 2.78Å; E151-S171 VanDerWaalsContact OE2-O 3.1Å; E151-S171 PolarHBondContact OE2-OG 2.78Å; S171-S173 PolarHBondContact O-N 2.98Å | ||
| 172 | D | 67.5 | Low | 68.1 | Low | 77 Ų | 77 | 70.5 Ų | 70.5 | 41% | 0.412 | 39% | 0.385 | S | S | . | . | trans | -65.4 | 7.7 | 172.1 | -91.1 | -22.3 | 0 | 0 | 0 | 111.5 | K170 T192 Y193 | K170-D172 WeakPolarHBondContact CE-OD2 3.26Å; K170-D172 HydrophobicContact CG-CB 4.19Å; K170-D172 VanDerWaalsContact CG-OD2 3.29Å; K170-D172 WeakPolarHBondContact CG-OD2 3.49Å; K170-D172 PolarHBondContact O-N 2.79Å; K170-D172 VanDerWaalsContact O-N 3.17Å; D172-T192 CarbonylContact O-C 3.57Å; D172-T192 VanDerWaalsContact O-CA 3.29Å; D172-T192 WeakPolarHBondContact O-CA 3.39Å; D172-Y193 WeakPolarHBondContact O-CB 3.47Å; D172-Y193 PolarHBondContact O-N 2.85Å | ||
| 173 | S | 78.5 | Confident | 69.9 | Low | 15 Ų | 15 | 73.6 Ų | 73.6 | 11% | 0.105 | 39% | 0.392 | C | S | . | . | B | Isolated β-bridge | trans | -104.8 | 144.7 | -172.5 | 56.7 | 0 | 0 | 0 | 0 | 112.9 | S171 D175 H189 P191 | S171-S173 PolarHBondContact O-N 2.98Å; S173-D175 VanDerWaalsContact C-N 3.25Å; S173-D175 WeakPolarHBondContact CB-OD1 3.49Å; S173-D175 PolarHBondContact O-N 3.37Å; S173-D175 VanDerWaalsContact OG-CG 3.26Å; S173-D175 PolarHBondContact OG-OD1 3.31Å; S173-D175 PolarHBondContact OG-OD2 3.49Å; S173-H189 WeakPolarHBondContact CB-CE1 3.38Å; S173-H189 PolarHBondContact OG-CE1 2.71Å; S173-H189 PolarHBondContact OG-ND1 2.73Å; S173-P191 WeakPolarHBondContact CA-O 3.47Å |
| 174 | F | 83.9 | Confident | 72.4 | Confident | 17 Ų | 17 | 71.3 Ų | 71.3 | 8% | 0.075 | 37% | 0.373 | C | S | . | . | trans | -84.7 | 70.7 | 174.8 | -69 | -74.6 | 0 | 0 | 0 | 111.2 | H100 L107 G190 P191 Y193 I196 | H100-F174 AromaticContact CD2-CD1 3.66Å; H100-F174 AromaticContact CE1-CD1 3.86Å; H100-F174 AromaticContact CE1-CE1 3.67Å; H100-F174 AromaticContact NE2-CD1 3.39Å; H100-F174 WeakPolarHBondContact NE2-CD1 3.49Å; H100-F174 AromaticContact NE2-CE1 3.65Å; L107-F174 HydrophobicContact CD1-CB 3.58Å; L107-F174 HydrophobicContact CD1-CD1 3.44Å; L107-F174 VanDerWaalsContact CD1-CD1 3.44Å; L107-F174 HydrophobicContact CD1-CD2 3.62Å; L107-F174 HydrophobicContact CD1-CE1 4.04Å; L107-F174 HydrophobicContact CD1-CE2 4.18Å; L107-F174 HydrophobicContact CD1-CG 3.21Å; L107-F174 HydrophobicContact CD1-CZ 4.4Å; F174-G190 WeakPolarHBondContact O-CA 3.38Å; F174-P191 HydrophobicContact CB-CG 4.33Å; F174-P191 WeakPolarHBondContact CD2-O 3.35Å; F174-P191 PolarHBondContact N-O 2.82Å; F174-Y193 HydrophobicContact CE2-CD2 4.37Å; F174-Y193 AromaticContact CZ-CD2 3.99Å; F174-Y193 HydrophobicContact CZ-CD2 3.99Å; F174-I196 HydrophobicContact CD2-CB 4.29Å; F174-I196 HydrophobicContact CD2-CG1 3.49Å; F174-I196 VanDerWaalsContact CD2-CG1 3.49Å; F174-I196 HydrophobicContact CE2-CB 3.86Å; F174-I196 HydrophobicContact CE2-CG1 3.58Å; F174-I196 HydrophobicContact CE2-CG2 4.22Å | ||
| 175 | D | 88.1 | Confident | 74.6 | Confident | 9 Ų | 9 | 71.8 Ų | 71.8 | 5% | 0.048 | 38% | 0.379 | C | S | . | . | trans | -70.2 | 148.4 | -174.8 | -71.1 | -0.4 | 0 | 0 | 0 | 112.3 | F148 L149 S173 W187 H189 G190 | F148-D175 WeakPolarHBondContact CA-O 3.42Å; L149-D175 HydrophobicContact CB-CB 4.23Å; L149-D175 HydrophobicContact CD1-CB 4.06Å; L149-D175 PolarHBondContact N-O 3.23Å; S173-D175 VanDerWaalsContact C-N 3.25Å; S173-D175 WeakPolarHBondContact CB-OD1 3.49Å; S173-D175 PolarHBondContact O-N 3.37Å; S173-D175 VanDerWaalsContact OG-CG 3.26Å; S173-D175 PolarHBondContact OG-OD1 3.31Å; S173-D175 PolarHBondContact OG-OD2 3.49Å; D175-W187 VanDerWaalsContact CG-NE1 3.33Å; D175-W187 WeakPolarHBondContact OD2-CZ2 3.3Å; D175-W187 PolarHBondContact OD2-NE1 3.47Å; D175-H189 WeakPolarHBondContact OD1-CA 3.33Å; D175-H189 IonicContact OD1-CE1 3.8Å; D175-H189 IonicContact OD1-CG 3.82Å; D175-H189 IonicContact OD1-ND1 3.18Å; D175-H189 PolarHBondContact OD1-ND1 3.31Å; D175-H189 IonicContact OD2-ND1 3.62Å; D175-G190 PolarHBondContact OD1-N 3.43Å | ||
| 176 | L | 91.7 | Very high | 76.9 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 132.4 | -175.2 | -175.2 | 78.6 | 0 | 0 | 0 | 109.3 | V117 V119 L146 T147 F148 H188 | V117-L176 HydrophobicContact CG1-CD2 3.44Å; V117-L176 VanDerWaalsContact CG1-CD2 3.44Å; V119-L176 HydrophobicContact CG2-CD2 3.89Å; L146-L176 HydrophobicContact CB-CD1 4.47Å; L146-L176 HydrophobicContact CD2-CD2 4.01Å; L146-L176 HydrophobicContact CD2-CG 4.29Å; T147-L176 WeakPolarHBondContact O-CD1 3.22Å; F148-L176 HydrophobicContact CD1-CB 4.41Å; F148-L176 HydrophobicContact CD1-CD1 3.77Å; F148-L176 HydrophobicContact CD2-CD1 4.09Å; F148-L176 HydrophobicContact CE1-CB 4.46Å; F148-L176 HydrophobicContact CE1-CD1 3.77Å; F148-L176 HydrophobicContact CE2-CD1 4.1Å; F148-L176 HydrophobicContact CG-CD1 3.94Å; F148-L176 HydrophobicContact CZ-CD1 3.94Å; L176-H188 HydrophobicContact CB-CB 4.46Å; L176-H188 PolarHBondContact N-O 3.09Å; L176-H188 WeakPolarHBondContact O-CB 3.4Å; L176-H188 PolarHBondContact O-N 3.25Å |
| 177 | V | 93.9 | Very high | 79.1 | Confident | 24 Ų | 24 | 70.5 Ų | 70.5 | 15% | 0.145 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 138.1 | 170 | 174 | 0 | 0 | 0 | 0 | 108.9 | L146 T147 L149 V185 K186 W187 | L146-V177 WeakPolarHBondContact CA-O 3.18Å; T147-V177 HydrophobicContact CG2-CB 4.04Å; T147-V177 PolarHBondContact N-O 2.89Å; T147-V177 PolarHBondContact O-N 2.98Å; L149-V177 HydrophobicContact CD1-CG2 3.73Å; L149-V177 HydrophobicContact CD2-CG2 3.71Å; L149-V177 HydrophobicContact CG-CG2 3.69Å; V177-V185 HydrophobicContact CG1-CG1 3.48Å; V177-V185 VanDerWaalsContact CG1-CG1 3.48Å; V177-K186 WeakPolarHBondContact CA-O 3.29Å; V177-W187 HydrophobicContact CG2-CB 4.42Å |
| 178 | S | 96 | Very high | 81.5 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 144.8 | 179.4 | 63.3 | 0 | 0 | 0 | 0 | 110.6 | H139 A145 V185 K186 H188 | H139-S178 WeakPolarHBondContact NE2-CB 3.45Å; H139-S178 PolarHBondContact NE2-O 3.06Å; H139-S178 PolarHBondContact NE2-OG 2.82Å; A145-S178 WeakPolarHBondContact O-CA 3.24Å; S178-V185 WeakPolarHBondContact O-CA 3.46Å; S178-K186 PolarHBondContact N-O 3Å; S178-K186 PolarHBondContact O-N 3.21Å; S178-K186 PolarHBondContact OG-O 2.84Å; S178-H188 PolarHBondContact OG-CD2 3.19Å; S178-H188 PolarHBondContact OG-NE2 2.93Å |
| 179 | V | 95.7 | Very high | 83.8 | Confident | 44 Ų | 44 | 69 Ų | 69 | 27% | 0.267 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 143.4 | 177.3 | -171.9 | 0 | 0 | 0 | 0 | 108.3 | V143 T144 A145 L184 V185 | V143-V179 CarbonylContact C-O 3.44Å; V143-V179 WeakPolarHBondContact CA-O 3.26Å; V143-V179 WeakPolarHBondContact CG1-O 3.36Å; T144-V179 PolarHBondContact N-O 3.15Å; T144-V179 VanDerWaalsContact OG1-C 3.27Å; T144-V179 PolarHBondContact OG1-O 3.4Å; A145-V179 HydrophobicContact CB-CB 4.31Å; A145-V179 PolarHBondContact N-O 3.06Å; A145-V179 PolarHBondContact O-N 3.4Å; V179-L184 WeakPolarHBondContact CA-O 3.08Å; V179-V185 HydrophobicContact CG1-CG2 4.37Å; V179-V185 HydrophobicContact CG2-CG1 4.33Å; V179-V185 HydrophobicContact CG2-CG2 4.1Å |
| 180 | S | 94.4 | Very high | 85.9 | Confident | 3 Ų | 3 | 62.8 Ų | 62.8 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 171.7 | 176.4 | 40.7 | 0 | 0 | 0 | 0 | 112 | H139 F142 D182 R183 L184 | H139-S180 PolarHBondContact CE1-OG 2.91Å; H139-S180 PolarHBondContact ND1-OG 3.49Å; F142-S180 VanDerWaalsContact O-CA 3.3Å; F142-S180 WeakPolarHBondContact O-CA 3.33Å; F142-S180 VanDerWaalsContact O-CB 3.27Å; F142-S180 WeakPolarHBondContact O-CB 3.5Å; S180-D182 VanDerWaalsContact CB-OD1 3.3Å; S180-D182 WeakPolarHBondContact CB-OD1 3.3Å; S180-D182 PolarHBondContact O-N 3.45Å; S180-D182 PolarHBondContact OG-OD1 3.35Å; S180-R183 PolarHBondContact O-N 3.06Å; S180-L184 PolarHBondContact N-O 2.88Å; S180-L184 PolarHBondContact OG-O 3.35Å |
| 181 | V | 91.2 | Very high | 87.4 | Confident | 60 Ų | 60 | 56.6 Ų | 56.6 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -38.4 | 177.4 | -146.4 | 0 | 0 | 0 | 0 | 114.3 | I141 F142 R183 | I141-V181 HydrophobicContact CB-CG2 3.95Å; I141-V181 HydrophobicContact CG2-CG2 3.62Å; F142-V181 HydrophobicContact CB-CG2 4.29Å; F142-V181 HydrophobicContact CD1-CB 4.21Å; F142-V181 HydrophobicContact CD1-CG1 4.36Å; F142-V181 HydrophobicContact CD1-CG2 3.03Å; F142-V181 HydrophobicContact CD2-CG2 3.49Å; F142-V181 VanDerWaalsContact CD2-CG2 3.49Å; F142-V181 HydrophobicContact CE1-CB 3.7Å; F142-V181 HydrophobicContact CE1-CG1 3.38Å; F142-V181 HydrophobicContact CE1-CG2 2.98Å; F142-V181 HydrophobicContact CE2-CB 4.09Å; F142-V181 HydrophobicContact CE2-CG1 3.99Å; F142-V181 HydrophobicContact CE2-CG2 3.47Å; F142-V181 VanDerWaalsContact CE2-CG2 3.47Å; F142-V181 HydrophobicContact CG-CG2 3.27Å; F142-V181 HydrophobicContact CZ-CB 3.63Å; F142-V181 HydrophobicContact CZ-CG1 3.15Å; F142-V181 HydrophobicContact CZ-CG2 3.21Å; F142-V181 WeakPolarHBondContact O-CG2 3.38Å; F142-V181 PolarHBondContact O-N 3.2Å; V181-R183 PolarHBondContact O-N 3.15Å |
| 182 | D | 90 | Very high | 88.9 | Confident | 52 Ų | 52 | 56.4 Ų | 56.4 | 28% | 0.278 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | 3.2 | -179.4 | 62.3 | 2.5 | 0 | 0 | 0 | 111.6 | P140 S180 L184 | P140-D182 WeakPolarHBondContact CD-OD2 3.34Å; P140-D182 WeakPolarHBondContact CG-OD2 3.32Å; S180-D182 VanDerWaalsContact CB-OD1 3.3Å; S180-D182 WeakPolarHBondContact CB-OD1 3.3Å; S180-D182 PolarHBondContact O-N 3.45Å; S180-D182 PolarHBondContact OG-OD1 3.35Å; D182-L184 HydrophobicContact CB-CG 4.41Å; D182-L184 PolarHBondContact O-N 2.88Å; D182-L184 WeakPolarHBondContact OD1-CB 3.49Å; D182-L184 WeakPolarHBondContact OD1-CG 3.35Å; D182-L184 PolarHBondContact OD1-N 2.85Å; D182-L184 VanDerWaalsContact OD2-CD1 3.3Å; D182-L184 WeakPolarHBondContact OD2-CD1 3.44Å |
| 183 | R | 90 | Very high | 89.5 | Confident | 226 Ų | 226 | 58.8 Ų | 58.8 | 85% | 0.853 | 28% | 0.28 | S | S | * | . | trans | 66.3 | 17.2 | 179.7 | -47.8 | 176.1 | -176.8 | 176.2 | -0.5 | 112.4 | S180 V181 | S180-R183 PolarHBondContact O-N 3.06Å; V181-R183 PolarHBondContact O-N 3.15Å | ||
| 184 | L | 93.2 | Very high | 89.5 | Confident | 83 Ų | 83 | 61.4 Ų | 61.4 | 44% | 0.435 | 30% | 0.298 | S | S | . | . | trans | -80.4 | 132.3 | 171.9 | -61.6 | -176.3 | 0 | 0 | 0 | 110.2 | H139 V179 S180 D182 | H139-L184 PolarHBondContact CE1-O 3.1Å; V179-L184 WeakPolarHBondContact CA-O 3.08Å; S180-L184 PolarHBondContact N-O 2.88Å; S180-L184 PolarHBondContact OG-O 3.35Å; D182-L184 HydrophobicContact CB-CG 4.41Å; D182-L184 PolarHBondContact O-N 2.88Å; D182-L184 WeakPolarHBondContact OD1-CB 3.49Å; D182-L184 WeakPolarHBondContact OD1-CG 3.35Å; D182-L184 PolarHBondContact OD1-N 2.85Å; D182-L184 VanDerWaalsContact OD2-CD1 3.3Å; D182-L184 WeakPolarHBondContact OD2-CD1 3.44Å | ||
| 185 | V | 94.4 | Very high | 89.5 | Confident | 98 Ų | 98 | 62.7 Ų | 62.7 | 59% | 0.594 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 123.1 | 171.4 | -175.7 | 0 | 0 | 0 | 0 | 107.3 | V177 S178 V179 | V177-V185 HydrophobicContact CG1-CG1 3.48Å; V177-V185 VanDerWaalsContact CG1-CG1 3.48Å; S178-V185 WeakPolarHBondContact O-CA 3.46Å; V179-V185 HydrophobicContact CG1-CG2 4.37Å; V179-V185 HydrophobicContact CG2-CG1 4.33Å; V179-V185 HydrophobicContact CG2-CG2 4.1Å |
| 186 | K | 94.7 | Very high | 89.2 | Confident | 72 Ų | 72 | 62.3 Ų | 62.3 | 31% | 0.313 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 131.7 | 179.9 | -68.4 | -178 | -169.8 | -178.5 | 0 | 110.7 | A138 V177 S178 | A138-K186 WeakPolarHBondContact O-CD 3.41Å; A138-K186 WeakPolarHBondContact O-CE 3.43Å; A138-K186 PolarHBondContact O-NZ 3.37Å; V177-K186 WeakPolarHBondContact CA-O 3.29Å; S178-K186 PolarHBondContact N-O 3Å; S178-K186 PolarHBondContact O-N 3.21Å; S178-K186 PolarHBondContact OG-O 2.84Å |
| 187 | W | 92.8 | Very high | 88.5 | Confident | 175 Ų | 175 | 62.8 Ų | 62.8 | 66% | 0.663 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 130.3 | 171.9 | 173.8 | 18.3 | 0 | 0 | 0 | 109.4 | D175 V177 | D175-W187 VanDerWaalsContact CG-NE1 3.33Å; D175-W187 WeakPolarHBondContact OD2-CZ2 3.3Å; D175-W187 PolarHBondContact OD2-NE1 3.47Å; V177-W187 HydrophobicContact CG2-CB 4.42Å |
| 188 | H | 90.9 | Very high | 87.9 | Confident | 22 Ų | 22 | 66.5 Ų | 66.5 | 10% | 0.102 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 122.5 | 174.8 | -54.8 | -58.8 | 0 | 0 | 0 | 109.4 | L135 L176 S178 G190 | L135-H188 HydrophobicContact CD1-CB 3.73Å; L135-H188 WeakPolarHBondContact CD1-ND1 3.43Å; L176-H188 HydrophobicContact CB-CB 4.46Å; L176-H188 PolarHBondContact N-O 3.09Å; L176-H188 WeakPolarHBondContact O-CB 3.4Å; L176-H188 PolarHBondContact O-N 3.25Å; S178-H188 PolarHBondContact OG-CD2 3.19Å; S178-H188 PolarHBondContact OG-NE2 2.93Å; H188-G190 PolarHBondContact O-N 3.41Å |
| 189 | H | 87.9 | Confident | 87.1 | Confident | 131 Ų | 131 | 66.6 Ų | 66.6 | 61% | 0.606 | 33% | 0.325 | S | S | * | . | trans | -68.9 | 128.5 | 173 | -168.2 | 65.3 | 0 | 0 | 0 | 109.9 | S173 D175 | S173-H189 WeakPolarHBondContact CB-CE1 3.38Å; S173-H189 PolarHBondContact OG-CE1 2.71Å; S173-H189 PolarHBondContact OG-ND1 2.73Å; D175-H189 WeakPolarHBondContact OD1-CA 3.33Å; D175-H189 IonicContact OD1-CE1 3.8Å; D175-H189 IonicContact OD1-CG 3.82Å; D175-H189 IonicContact OD1-ND1 3.18Å; D175-H189 PolarHBondContact OD1-ND1 3.31Å; D175-H189 IonicContact OD2-ND1 3.62Å | ||
| 190 | G | 85.2 | Confident | 86.2 | Confident | 8 Ų | 8 | 66.1 Ų | 66.1 | 8% | 0.082 | 32% | 0.324 | C | S | . | . | trans | -95.8 | 178.8 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | F174 D175 H188 | F174-G190 WeakPolarHBondContact O-CA 3.38Å; D175-G190 PolarHBondContact OD1-N 3.43Å; H188-G190 PolarHBondContact O-N 3.41Å | ||
| 191 | P | 83.5 | Confident | 85.1 | Confident | 17 Ų | 17 | 72.9 Ų | 72.9 | 11% | 0.11 | 36% | 0.355 | C | S | . | . | trans | -65.9 | 147.7 | 173.2 | 30.5 | -37.3 | 0 | 0 | 0 | 110.7 | I132 S173 F174 T195 I196 | I132-P191 HydrophobicContact CD1-CG 4.39Å; I132-P191 HydrophobicContact CG2-CB 3.9Å; I132-P191 HydrophobicContact CG2-CG 3.89Å; S173-P191 WeakPolarHBondContact CA-O 3.47Å; F174-P191 HydrophobicContact CB-CG 4.33Å; F174-P191 WeakPolarHBondContact CD2-O 3.35Å; F174-P191 PolarHBondContact N-O 2.82Å; P191-T195 HydrophobicContact CB-CG2 4.46Å; P191-I196 HydrophobicContact CB-CD1 3.9Å; P191-I196 HydrophobicContact CB-CG1 4.24Å; P191-I196 HydrophobicContact CG-CD1 3.63Å; P191-I196 HydrophobicContact CG-CG1 4Å | ||
| 192 | T | 83.7 | Confident | 83.8 | Confident | 52 Ų | 52 | 72.4 Ų | 72.4 | 32% | 0.319 | 36% | 0.362 | S | S | . | . | B | Isolated β-bridge | trans | -73.3 | 159.1 | 176.8 | 57.3 | 0 | 0 | 0 | 0 | 112.5 | D172 S194 T195 I196 | D172-T192 CarbonylContact O-C 3.57Å; D172-T192 VanDerWaalsContact O-CA 3.29Å; D172-T192 WeakPolarHBondContact O-CA 3.39Å; T192-S194 PolarHBondContact O-N 3.01Å; T192-S194 PolarHBondContact OG1-OG 3.01Å; T192-T195 WeakPolarHBondContact O-CA 3.5Å; T192-T195 WeakPolarHBondContact O-CB 3.42Å; T192-T195 PolarHBondContact O-N 3.36Å; T192-T195 PolarHBondContact OG1-OG1 2.87Å; T192-I196 PolarHBondContact O-N 3.24Å |
| 193 | Y | 80.2 | Confident | 82.4 | Confident | 126 Ų | 126 | 75.8 Ų | 75.8 | 49% | 0.494 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.4 | -37.1 | -178.9 | -172.1 | -82.5 | 0 | 0 | 0 | 111.6 | R105 D172 F174 G197 | R105-Y193 VanDerWaalsContact NE-CE2 3.33Å; R105-Y193 PolarHBondContact NH1-O 2.86Å; R105-Y193 PolarHBondContact NH2-OH 3.36Å; D172-Y193 WeakPolarHBondContact O-CB 3.47Å; D172-Y193 PolarHBondContact O-N 2.85Å; F174-Y193 HydrophobicContact CE2-CD2 4.37Å; F174-Y193 AromaticContact CZ-CD2 3.99Å; F174-Y193 HydrophobicContact CZ-CD2 3.99Å; Y193-G197 PolarHBondContact O-N 2.93Å |
| 194 | S | 78.9 | Confident | 81 | Confident | 70 Ų | 70 | 68 Ų | 68 | 49% | 0.49 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.1 | -38.8 | 175.2 | 61 | 0 | 0 | 0 | 0 | 111.9 | T192 G197 K198 | T192-S194 PolarHBondContact O-N 3.01Å; T192-S194 PolarHBondContact OG1-OG 3.01Å; S194-G197 PolarHBondContact O-N 2.89Å; S194-K198 WeakPolarHBondContact O-CB 3.43Å; S194-K198 VanDerWaalsContact O-CG 3.24Å; S194-K198 WeakPolarHBondContact O-CG 3.33Å; S194-K198 PolarHBondContact O-N 3.47Å |
| 195 | T | 82.3 | Confident | 79.2 | Confident | 45 Ų | 45 | 67.1 Ų | 67.1 | 28% | 0.276 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.5 | -48.7 | 176.9 | -54.6 | 0 | 0 | 0 | 0 | 110.6 | P191 T192 G197 K198 L199 | P191-T195 HydrophobicContact CB-CG2 4.46Å; T192-T195 WeakPolarHBondContact O-CA 3.5Å; T192-T195 WeakPolarHBondContact O-CB 3.42Å; T192-T195 PolarHBondContact O-N 3.36Å; T192-T195 PolarHBondContact OG1-OG1 2.87Å; T195-G197 VanDerWaalsContact C-N 3.35Å; T195-G197 PolarHBondContact O-N 3.35Å; T195-K198 PolarHBondContact O-N 2.93Å; T195-L199 HydrophobicContact CG2-CD1 4.48Å; T195-L199 WeakPolarHBondContact O-CG 3.29Å; T195-L199 PolarHBondContact O-N 2.77Å |
| 196 | I | 82 | Confident | 77.5 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.7 | -37.8 | 176.8 | -60 | -49.4 | 0 | 0 | 0 | 112 | R105 L107 F121 I132 F174 P191 T192 L199 S200 | R105-I196 HydrophobicContact CB-CG2 4.21Å; R105-I196 HydrophobicContact CG-CG2 4.19Å; L107-I196 HydrophobicContact CD1-CG1 4.41Å; L107-I196 HydrophobicContact CD2-CD1 3.84Å; L107-I196 HydrophobicContact CD2-CG1 4.4Å; F121-I196 HydrophobicContact CD2-CG2 4.17Å; F121-I196 HydrophobicContact CE2-CG2 3.87Å; I132-I196 HydrophobicContact CD1-CD1 3.66Å; F174-I196 HydrophobicContact CD2-CB 4.29Å; F174-I196 HydrophobicContact CD2-CG1 3.49Å; F174-I196 VanDerWaalsContact CD2-CG1 3.49Å; F174-I196 HydrophobicContact CE2-CB 3.86Å; F174-I196 HydrophobicContact CE2-CG1 3.58Å; F174-I196 HydrophobicContact CE2-CG2 4.22Å; P191-I196 HydrophobicContact CB-CD1 3.9Å; P191-I196 HydrophobicContact CB-CG1 4.24Å; P191-I196 HydrophobicContact CG-CD1 3.63Å; P191-I196 HydrophobicContact CG-CG1 4Å; T192-I196 PolarHBondContact O-N 3.24Å; I196-L199 HydrophobicContact CD1-CD1 3.92Å; I196-L199 WeakPolarHBondContact O-CB 3.47Å; I196-L199 PolarHBondContact O-N 3.33Å; I196-S200 PolarHBondContact O-N 3.06Å; I196-S200 PolarHBondContact O-OG 2.88Å |
| 197 | G | 78.4 | Confident | 75.5 | Confident | 11 Ų | 11 | 67.7 Ų | 67.7 | 11% | 0.113 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.2 | -48.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y193 S194 T195 L199 S200 H201 | Y193-G197 PolarHBondContact O-N 2.93Å; S194-G197 PolarHBondContact O-N 2.89Å; T195-G197 VanDerWaalsContact C-N 3.35Å; T195-G197 PolarHBondContact O-N 3.35Å; G197-L199 VanDerWaalsContact C-N 3.31Å; G197-L199 PolarHBondContact O-N 3.34Å; G197-S200 WeakPolarHBondContact CA-OG 3.28Å; G197-S200 PolarHBondContact O-N 3.48Å; G197-S200 PolarHBondContact O-OG 2.65Å; G197-H201 PolarHBondContact O-CD2 2.91Å; G197-H201 PolarHBondContact O-N 2.94Å |
| 198 | K | 79.9 | Confident | 73.3 | Confident | 101 Ų | 101 | 62.5 Ų | 62.5 | 44% | 0.439 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.1 | -37.2 | 176 | -72.2 | 177.1 | -173.4 | -178 | 0 | 112.7 | S194 T195 G202 I203 I204 | S194-K198 WeakPolarHBondContact O-CB 3.43Å; S194-K198 VanDerWaalsContact O-CG 3.24Å; S194-K198 WeakPolarHBondContact O-CG 3.33Å; S194-K198 PolarHBondContact O-N 3.47Å; T195-K198 PolarHBondContact O-N 2.93Å; K198-G202 PolarHBondContact O-N 3.07Å; K198-I203 HydrophobicContact CB-CB 4.3Å; K198-I203 PolarHBondContact O-N 2.99Å; K198-I204 HydrophobicContact CB-CB 4.32Å; K198-I204 HydrophobicContact CB-CD1 3.64Å; K198-I204 HydrophobicContact CB-CG1 3.82Å; K198-I204 HydrophobicContact CD-CD1 3.38Å; K198-I204 HydrophobicContact CD-CG1 4.04Å; K198-I204 HydrophobicContact CG-CD1 4.15Å; K198-I204 PolarHBondContact O-N 3.14Å |
| 199 | L | 79.1 | Confident | 71.1 | Confident | 3 Ų | 3 | 68.2 Ų | 68.2 | 2% | 0.016 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64 | -44.7 | 172.8 | -75.3 | 167.6 | 0 | 0 | 0 | 111.7 | F121 I132 T195 I196 G197 H201 G202 I204 I206 | F121-L199 HydrophobicContact CD1-CB 4.03Å; F121-L199 HydrophobicContact CE1-CB 3.92Å; F121-L199 HydrophobicContact CZ-CB 4.47Å; I132-L199 HydrophobicContact CG1-CD1 4.39Å; T195-L199 HydrophobicContact CG2-CD1 4.48Å; T195-L199 WeakPolarHBondContact O-CG 3.29Å; T195-L199 PolarHBondContact O-N 2.77Å; I196-L199 HydrophobicContact CD1-CD1 3.92Å; I196-L199 WeakPolarHBondContact O-CB 3.47Å; I196-L199 PolarHBondContact O-N 3.33Å; G197-L199 VanDerWaalsContact C-N 3.31Å; G197-L199 PolarHBondContact O-N 3.34Å; L199-H201 VanDerWaalsContact C-N 3.27Å; L199-H201 PolarHBondContact O-N 2.82Å; L199-G202 PolarHBondContact O-N 3.3Å; L199-I204 HydrophobicContact CD2-CB 4.43Å; L199-I204 HydrophobicContact CD2-CG2 4.36Å; L199-I204 WeakPolarHBondContact CD2-O 3.26Å; L199-I206 HydrophobicContact CD1-CD1 3.88Å; L199-I206 HydrophobicContact CD2-CD1 3.68Å; L199-I206 HydrophobicContact CD2-CG1 3.79Å; L199-I206 HydrophobicContact CG-CD1 4.26Å |
| 200 | S | 76.7 | Confident | 69.2 | Low | 34 Ų | 34 | 66.3 Ų | 66.3 | 24% | 0.238 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.2 | -31.9 | 179 | 65.6 | 0 | 0 | 0 | 0 | 113.5 | I196 G197 G202 | I196-S200 PolarHBondContact O-N 3.06Å; I196-S200 PolarHBondContact O-OG 2.88Å; G197-S200 WeakPolarHBondContact CA-OG 3.28Å; G197-S200 PolarHBondContact O-N 3.48Å; G197-S200 PolarHBondContact O-OG 2.65Å; S200-G202 VanDerWaalsContact C-N 3.29Å |
| 201 | H | 72.4 | Confident | 67.5 | Low | 145 Ų | 145 | 68.2 Ų | 68.2 | 67% | 0.671 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | 0.4 | 175.8 | -67.4 | -58.7 | 0 | 0 | 0 | 113.1 | G197 L199 I203 | G197-H201 PolarHBondContact O-CD2 2.91Å; G197-H201 PolarHBondContact O-N 2.94Å; L199-H201 VanDerWaalsContact C-N 3.27Å; L199-H201 PolarHBondContact O-N 2.82Å; H201-I203 HydrophobicContact CB-CD1 3.76Å; H201-I203 HydrophobicContact CB-CG1 3.83Å; H201-I203 PolarHBondContact O-N 3.26Å |
| 202 | G | 64.5 | Low | 65.8 | Low | 50 Ų | 50 | 71.8 Ų | 71.8 | 52% | 0.515 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | 13.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | K198 L199 S200 | K198-G202 PolarHBondContact O-N 3.07Å; L199-G202 PolarHBondContact O-N 3.3Å; S200-G202 VanDerWaalsContact C-N 3.29Å |
| 203 | I | 60.4 | Low | 64.1 | Low | 123 Ų | 123 | 74.5 Ų | 74.5 | 63% | 0.631 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -73.2 | -36.2 | -178.5 | -60.3 | 170.3 | 0 | 0 | 0 | 110.2 | K198 H201 | K198-I203 HydrophobicContact CB-CB 4.3Å; K198-I203 PolarHBondContact O-N 2.99Å; H201-I203 HydrophobicContact CB-CD1 3.76Å; H201-I203 HydrophobicContact CB-CG1 3.83Å; H201-I203 PolarHBondContact O-N 3.26Å |
| 204 | I | 59.8 | Low | 62.6 | Low | 61 Ų | 61 | 75.6 Ų | 75.6 | 31% | 0.313 | 42% | 0.415 | S | S | . | . | trans | -110.7 | 119.6 | 173.5 | -63.8 | 175.5 | 0 | 0 | 0 | 107.5 | K198 L199 I206 | K198-I204 HydrophobicContact CB-CB 4.32Å; K198-I204 HydrophobicContact CB-CD1 3.64Å; K198-I204 HydrophobicContact CB-CG1 3.82Å; K198-I204 HydrophobicContact CD-CD1 3.38Å; K198-I204 HydrophobicContact CD-CG1 4.04Å; K198-I204 HydrophobicContact CG-CD1 4.15Å; K198-I204 PolarHBondContact O-N 3.14Å; L199-I204 HydrophobicContact CD2-CB 4.43Å; L199-I204 HydrophobicContact CD2-CG2 4.36Å; L199-I204 WeakPolarHBondContact CD2-O 3.26Å; I204-I206 HydrophobicContact CG2-CG1 3.78Å | ||
| 205 | N | 55.3 | Low | 61.1 | Low | 66 Ų | 66 | 81 Ų | 81 | 35% | 0.353 | 42% | 0.424 | S | S | . | . | trans | -106.9 | 101 | 163.3 | -179.5 | -8.1 | 0 | 0 | 0 | 107 | N207 N208 | N205-N207 PolarHBondContact O-N 2.98Å; N205-N207 PolarHBondContact OD1-N 3.47Å; N205-N207 VanDerWaalsContact OD1-N 3.13Å; N205-N208 HydrophobicContact CB-CB 3.78Å; N205-N208 PolarHBondContact ND2-ND2 3.35Å; N205-N208 VanDerWaalsContact ND2-ND2 3.16Å; N205-N208 PolarHBondContact ND2-OD1 2.79Å; N205-N208 PolarHBondContact O-N 2.93Å; N205-N208 PolarHBondContact OD1-N 3.29Å | ||
| 206 | I | 58.6 | Low | 59.7 | Low | 68 Ų | 68 | 84.5 Ų | 84.5 | 35% | 0.349 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -23.6 | -178 | -66 | 174.8 | 0 | 0 | 0 | 110.8 | L199 I204 | L199-I206 HydrophobicContact CD1-CD1 3.88Å; L199-I206 HydrophobicContact CD2-CD1 3.68Å; L199-I206 HydrophobicContact CD2-CG1 3.79Å; L199-I206 HydrophobicContact CG-CD1 4.26Å; I204-I206 HydrophobicContact CG2-CG1 3.78Å |
| 207 | N | 53.1 | Low | 58.4 | Low | 114 Ų | 114 | 89.8 Ų | 89.8 | 61% | 0.61 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -15.2 | 174.6 | -95.5 | -5 | 0 | 0 | 0 | 115.1 | N205 V210 S211 | N205-N207 PolarHBondContact O-N 2.98Å; N205-N207 PolarHBondContact OD1-N 3.47Å; N205-N207 VanDerWaalsContact OD1-N 3.13Å; N207-V210 PolarHBondContact O-N 3.08Å; N207-S211 WeakPolarHBondContact O-CB 3.17Å; N207-S211 PolarHBondContact O-N 3.5Å |
| 208 | N | 46.7 | Very low | 57.4 | Low | 65 Ų | 65 | 94.4 Ų | 94.4 | 35% | 0.348 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -80.1 | -20.6 | -175.3 | -94.8 | 6.2 | 0 | 0 | 0 | 115.2 | N205 V210 S211 L212 | N205-N208 HydrophobicContact CB-CB 3.78Å; N205-N208 PolarHBondContact ND2-ND2 3.35Å; N205-N208 VanDerWaalsContact ND2-ND2 3.16Å; N205-N208 PolarHBondContact ND2-OD1 2.79Å; N205-N208 PolarHBondContact O-N 2.93Å; N205-N208 PolarHBondContact OD1-N 3.29Å; N208-V210 PolarHBondContact O-N 3.3Å; N208-S211 WeakPolarHBondContact CA-OG 3.31Å; N208-S211 PolarHBondContact O-N 3.34Å; N208-S211 PolarHBondContact OD1-OG 2.86Å; N208-L212 WeakPolarHBondContact O-CB 3.26Å; N208-L212 PolarHBondContact O-N 2.95Å |
| 209 | N | 44.6 | Very low | 56.5 | Low | 142 Ų | 142 | 93.9 Ų | 93.9 | 76% | 0.759 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67.1 | -28.3 | 174.1 | -80.1 | -4.1 | 0 | 0 | 0 | 111.6 | ||
| 210 | V | 47.4 | Very low | 56.1 | Low | 91 Ų | 91 | 100.9 Ų | 100.9 | 55% | 0.552 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -87 | -36.6 | 172.6 | -173.3 | 0 | 0 | 0 | 0 | 111.2 | N207 N208 K214 | N207-V210 PolarHBondContact O-N 3.08Å; N208-V210 PolarHBondContact O-N 3.3Å; V210-K214 VanDerWaalsContact O-CB 3.3Å; V210-K214 WeakPolarHBondContact O-CB 3.14Å; V210-K214 PolarHBondContact O-N 2.88Å |
| 211 | S | 49.7 | Very low | 55.7 | Low | 49 Ų | 49 | 102.3 Ų | 102.3 | 34% | 0.343 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -73.5 | -36.4 | -176.6 | 86.8 | 0 | 0 | 0 | 0 | 113.6 | N207 N208 K214 R215 | N207-S211 WeakPolarHBondContact O-CB 3.17Å; N207-S211 PolarHBondContact O-N 3.5Å; N208-S211 WeakPolarHBondContact CA-OG 3.31Å; N208-S211 PolarHBondContact O-N 3.34Å; N208-S211 PolarHBondContact OD1-OG 2.86Å; S211-K214 PolarHBondContact O-N 2.84Å; S211-R215 WeakPolarHBondContact O-CA 3.37Å; S211-R215 WeakPolarHBondContact O-CB 3.46Å; S211-R215 PolarHBondContact O-N 2.98Å |
| 212 | L | 47.5 | Very low | 55.6 | Low | 91 Ų | 91 | 98.4 Ų | 98.4 | 48% | 0.476 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.3 | -43.9 | 175.1 | -86.6 | 165.8 | 0 | 0 | 0 | 110.8 | N208 R215 I216 | N208-L212 WeakPolarHBondContact O-CB 3.26Å; N208-L212 PolarHBondContact O-N 2.95Å; L212-R215 PolarHBondContact O-N 2.79Å; L212-I216 WeakPolarHBondContact O-CB 3.27Å; L212-I216 WeakPolarHBondContact O-CD1 3.15Å; L212-I216 WeakPolarHBondContact O-CG1 3.44Å; L212-I216 PolarHBondContact O-N 2.84Å |
| 213 | L | 47.6 | Very low | 56.3 | Low | 109 Ų | 109 | 101.5 Ų | 101.5 | 57% | 0.571 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63 | -44.9 | 175.1 | -151 | 89.9 | 0 | 0 | 0 | 110.7 | R215 I216 I217 | L213-R215 VanDerWaalsContact C-N 3.33Å; L213-R215 PolarHBondContact O-N 3.45Å; L213-I216 PolarHBondContact O-N 2.95Å; L213-I217 HydrophobicContact CD2-CD1 3.89Å; L213-I217 HydrophobicContact CG-CD1 3.87Å; L213-I217 WeakPolarHBondContact O-CB 3.38Å; L213-I217 VanDerWaalsContact O-CD1 3.26Å; L213-I217 WeakPolarHBondContact O-CD1 3.22Å; L213-I217 WeakPolarHBondContact O-CG1 3.29Å; L213-I217 PolarHBondContact O-N 3Å |
| 214 | K | 48.8 | Very low | 57.3 | Low | 149 Ų | 149 | 103.9 Ų | 103.9 | 65% | 0.648 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.8 | -31.9 | 173.6 | -102.8 | -178.3 | 170 | 178.2 | 0 | 113.8 | V210 S211 I217 H218 | V210-K214 VanDerWaalsContact O-CB 3.3Å; V210-K214 WeakPolarHBondContact O-CB 3.14Å; V210-K214 PolarHBondContact O-N 2.88Å; S211-K214 PolarHBondContact O-N 2.84Å; K214-I217 CarbonylContact O-C 3.53Å; K214-I217 PolarHBondContact O-N 2.78Å; K214-H218 PolarHBondContact O-N 3.05Å |
| 215 | R | 48.1 | Very low | 58.3 | Low | 184 Ų | 184 | 105.5 Ų | 105.5 | 69% | 0.694 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -74.4 | -33.6 | 177.6 | -175.3 | 178.9 | -106.2 | -166.9 | -4.8 | 111.3 | S211 L212 L213 T221 | S211-R215 WeakPolarHBondContact O-CA 3.37Å; S211-R215 WeakPolarHBondContact O-CB 3.46Å; S211-R215 PolarHBondContact O-N 2.98Å; L212-R215 PolarHBondContact O-N 2.79Å; L213-R215 VanDerWaalsContact C-N 3.33Å; L213-R215 PolarHBondContact O-N 3.45Å; R215-T221 PolarHBondContact O-OG1 2.72Å |
| 216 | I | 52.6 | Low | 59.7 | Low | 119 Ų | 119 | 107.6 Ų | 107.6 | 61% | 0.61 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -70.2 | -38.4 | 169.3 | -65.1 | 161.6 | 0 | 0 | 0 | 110.3 | L212 L213 H218 | L212-I216 WeakPolarHBondContact O-CB 3.27Å; L212-I216 WeakPolarHBondContact O-CD1 3.15Å; L212-I216 WeakPolarHBondContact O-CG1 3.44Å; L212-I216 PolarHBondContact O-N 2.84Å; L213-I216 PolarHBondContact O-N 2.95Å; I216-H218 VanDerWaalsContact C-N 3.25Å; I216-H218 PolarHBondContact O-N 3.48Å |
| 217 | I | 55.2 | Low | 60.9 | Low | 110 Ų | 110 | 107.8 Ų | 107.8 | 56% | 0.564 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -79.3 | -2.5 | 178 | -61.9 | 160.9 | 0 | 0 | 0 | 112.5 | L213 K214 P219 | L213-I217 HydrophobicContact CD2-CD1 3.89Å; L213-I217 HydrophobicContact CG-CD1 3.87Å; L213-I217 WeakPolarHBondContact O-CB 3.38Å; L213-I217 VanDerWaalsContact O-CD1 3.26Å; L213-I217 WeakPolarHBondContact O-CD1 3.22Å; L213-I217 WeakPolarHBondContact O-CG1 3.29Å; L213-I217 PolarHBondContact O-N 3Å; K214-I217 CarbonylContact O-C 3.53Å; K214-I217 PolarHBondContact O-N 2.78Å; I217-P219 WeakPolarHBondContact O-CD 3.2Å; I217-P219 VanDerWaalsContact O-N 3.09Å |
| 218 | H | 57.1 | Low | 62.5 | Low | 109 Ų | 109 | 108.2 Ų | 108.2 | 51% | 0.505 | 56% | 0.556 | S | S | . | * | trans | -62 | 121.2 | 175.8 | -135.5 | -62.7 | 0 | 0 | 0 | 108.3 | K214 I216 K220 T221 C222 | K214-H218 PolarHBondContact O-N 3.05Å; I216-H218 VanDerWaalsContact C-N 3.25Å; I216-H218 PolarHBondContact O-N 3.48Å; H218-K220 PolarHBondContact O-N 2.97Å; H218-T221 VanDerWaalsContact CB-OG1 3.23Å; H218-T221 WeakPolarHBondContact CB-OG1 3.15Å; H218-T221 PolarHBondContact O-N 3.43Å; H218-T221 PolarHBondContact O-OG1 3.42Å; H218-C222 PolarHBondContact O-N 2.89Å; H218-C222 VanDerWaalsContact O-N 3.09Å | ||
| 219 | P | 62 | Low | 64.3 | Low | 89 Ų | 89 | 110.9 Ų | 110.9 | 58% | 0.578 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -59.6 | -28.9 | -170.3 | 18.8 | -32 | 0 | 0 | 0 | 112.3 | I217 I223 | I217-P219 WeakPolarHBondContact O-CD 3.2Å; I217-P219 VanDerWaalsContact O-N 3.09Å; P219-I223 WeakPolarHBondContact O-CD1 3.49Å; P219-I223 WeakPolarHBondContact O-CG1 3.46Å; P219-I223 PolarHBondContact O-N 3.32Å |
| 220 | K | 71.1 | Confident | 66.2 | Low | 150 Ų | 150 | 107.4 Ų | 107.4 | 65% | 0.652 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.7 | -47.2 | 175.4 | -64.6 | -172.8 | 177.5 | -177 | 0 | 112.6 | H218 C222 I223 Y224 | H218-K220 PolarHBondContact O-N 2.97Å; K220-C222 VanDerWaalsContact C-N 3.33Å; K220-I223 PolarHBondContact O-N 3.45Å; K220-Y224 WeakPolarHBondContact O-CD2 3.37Å; K220-Y224 PolarHBondContact O-N 3.38Å; K220-Y224 VanDerWaalsContact O-N 3.09Å |
| 221 | T | 68.1 | Low | 68 | Low | 64 Ų | 64 | 108.9 Ų | 108.9 | 39% | 0.393 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.4 | -37.2 | 177.5 | 5.4 | 0 | 0 | 0 | 0 | 111.5 | R215 H218 Y224 V225 | R215-T221 PolarHBondContact O-OG1 2.72Å; H218-T221 VanDerWaalsContact CB-OG1 3.23Å; H218-T221 WeakPolarHBondContact CB-OG1 3.15Å; H218-T221 PolarHBondContact O-N 3.43Å; H218-T221 PolarHBondContact O-OG1 3.42Å; T221-Y224 PolarHBondContact O-N 2.67Å; T221-V225 WeakPolarHBondContact O-CG2 3.17Å; T221-V225 PolarHBondContact O-N 2.91Å |
| 222 | C | 69.5 | Low | 69.8 | Low | 64 Ų | 64 | 111.7 Ų | 111.7 | 43% | 0.432 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -59.8 | -46.6 | 174 | -171.6 | 0 | 0 | 0 | 0 | 111.5 | H218 K220 Y224 V225 L226 | H218-C222 PolarHBondContact O-N 2.89Å; H218-C222 VanDerWaalsContact O-N 3.09Å; K220-C222 VanDerWaalsContact C-N 3.33Å; C222-Y224 PolarHBondContact O-N 3.04Å; C222-V225 PolarHBondContact O-N 3.17Å; C222-L226 WeakPolarHBondContact O-CB 3.47Å; C222-L226 PolarHBondContact O-N 3.17Å |
| 223 | I | 79.2 | Confident | 71.7 | Confident | 114 Ų | 114 | 111.7 Ų | 111.7 | 59% | 0.585 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -59.7 | -43.9 | 176 | -69.2 | 161.2 | 0 | 0 | 0 | 111.6 | P219 K220 L226 C227 | P219-I223 WeakPolarHBondContact O-CD1 3.49Å; P219-I223 WeakPolarHBondContact O-CG1 3.46Å; P219-I223 PolarHBondContact O-N 3.32Å; K220-I223 PolarHBondContact O-N 3.45Å; I223-L226 PolarHBondContact O-N 2.99Å; I223-C227 VanDerWaalsContact O-CB 3.29Å; I223-C227 WeakPolarHBondContact O-CB 3.39Å; I223-C227 PolarHBondContact O-N 3.43Å |
| 224 | Y | 81.6 | Confident | 73.4 | Confident | 174 Ų | 174 | 112 Ų | 112 | 68% | 0.682 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.2 | -43.1 | 177.7 | -78.3 | -66.1 | 0 | 0 | 0 | 112.6 | K220 T221 C222 C227 L228 | K220-Y224 WeakPolarHBondContact O-CD2 3.37Å; K220-Y224 PolarHBondContact O-N 3.38Å; K220-Y224 VanDerWaalsContact O-N 3.09Å; T221-Y224 PolarHBondContact O-N 2.67Å; C222-Y224 PolarHBondContact O-N 3.04Å; Y224-C227 PolarHBondContact O-N 3.06Å; Y224-L228 WeakPolarHBondContact O-CB 3.3Å; Y224-L228 PolarHBondContact O-N 3.18Å |
| 225 | V | 81.5 | Confident | 75 | Confident | 95 Ų | 95 | 108.5 Ų | 108.5 | 58% | 0.576 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.9 | -43.9 | 177.5 | 173.7 | 0 | 0 | 0 | 0 | 110.7 | T221 C222 C227 L228 F229 | T221-V225 WeakPolarHBondContact O-CG2 3.17Å; T221-V225 PolarHBondContact O-N 2.91Å; C222-V225 PolarHBondContact O-N 3.17Å; V225-C227 PolarHBondContact O-N 2.87Å; V225-L228 PolarHBondContact O-N 2.84Å; V225-F229 WeakPolarHBondContact O-CB 3.3Å; V225-F229 PolarHBondContact O-N 3.38Å |
| 226 | L | 83.1 | Confident | 76.7 | Confident | 109 Ų | 109 | 103.7 Ų | 103.7 | 57% | 0.571 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.2 | -44.7 | 176.1 | -118.7 | 148.4 | 0 | 0 | 0 | 111.6 | C222 I223 F229 S230 | C222-L226 WeakPolarHBondContact O-CB 3.47Å; C222-L226 PolarHBondContact O-N 3.17Å; I223-L226 PolarHBondContact O-N 2.99Å; L226-F229 WeakPolarHBondContact O-CB 3.41Å; L226-F229 PolarHBondContact O-N 3.04Å; L226-S230 PolarHBondContact O-N 3.43Å; L226-S230 PolarHBondContact O-OG 2.47Å; L226-S230 VanDerWaalsContact O-OG 3.1Å |
| 227 | C | 84.6 | Confident | 78.2 | Confident | 72 Ų | 72 | 103.6 Ų | 103.6 | 49% | 0.486 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 178.9 | -157 | 0 | 0 | 0 | 0 | 111.8 | I223 Y224 V225 S230 I231 | I223-C227 VanDerWaalsContact O-CB 3.29Å; I223-C227 WeakPolarHBondContact O-CB 3.39Å; I223-C227 PolarHBondContact O-N 3.43Å; Y224-C227 PolarHBondContact O-N 3.06Å; V225-C227 PolarHBondContact O-N 2.87Å; C227-S230 PolarHBondContact O-N 2.79Å; C227-I231 VanDerWaalsContact O-CG1 3.31Å; C227-I231 WeakPolarHBondContact O-CG1 3.27Å; C227-I231 PolarHBondContact O-N 2.84Å |
| 228 | L | 86.1 | Confident | 79.7 | Confident | 124 Ų | 124 | 103.7 Ų | 103.7 | 65% | 0.649 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.8 | -38.6 | 176.6 | -154.3 | 147 | 0 | 0 | 0 | 111.4 | Y224 V225 I231 L232 | Y224-L228 WeakPolarHBondContact O-CB 3.3Å; Y224-L228 PolarHBondContact O-N 3.18Å; V225-L228 PolarHBondContact O-N 2.84Å; L228-I231 PolarHBondContact O-N 3.31Å; L228-L232 WeakPolarHBondContact O-CB 3.38Å; L228-L232 PolarHBondContact O-N 3.02Å |
| 229 | F | 85.6 | Confident | 81 | Confident | 121 Ų | 121 | 103.1 Ų | 103.1 | 53% | 0.531 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 172.5 | -135.9 | -93.4 | 0 | 0 | 0 | 111.6 | V225 L226 L232 F233 | V225-F229 WeakPolarHBondContact O-CB 3.3Å; V225-F229 PolarHBondContact O-N 3.38Å; L226-F229 WeakPolarHBondContact O-CB 3.41Å; L226-F229 PolarHBondContact O-N 3.04Å; F229-L232 PolarHBondContact O-N 3.25Å; F229-F233 AromaticContact CD1-CD2 3.5Å; F229-F233 HydrophobicContact CD1-CD2 3.5Å; F229-F233 VanDerWaalsContact CD1-CD2 3.5Å; F229-F233 AromaticContact CD1-CE2 3.61Å; F229-F233 HydrophobicContact CD1-CE2 3.61Å; F229-F233 AromaticContact CE1-CD2 3.55Å; F229-F233 HydrophobicContact CE1-CD2 3.55Å; F229-F233 AromaticContact CE1-CE2 3.11Å; F229-F233 HydrophobicContact CE1-CE2 3.11Å; F229-F233 AromaticContact CE1-CZ 3.96Å; F229-F233 HydrophobicContact CE1-CZ 3.96Å; F229-F233 HydrophobicContact CG-CD2 4.41Å; F229-F233 HydrophobicContact CZ-CD2 4.47Å; F229-F233 AromaticContact CZ-CE2 3.76Å; F229-F233 HydrophobicContact CZ-CE2 3.76Å; F229-F233 WeakPolarHBondContact O-CB 3.46Å; F229-F233 WeakPolarHBondContact O-CD2 3.37Å; F229-F233 PolarHBondContact O-N 3.22Å |
| 230 | S | 83.2 | Confident | 82.1 | Confident | 68 Ų | 68 | 103.7 Ų | 103.7 | 48% | 0.476 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 176.5 | -63.4 | 0 | 0 | 0 | 0 | 112.5 | L226 C227 L232 F233 L234 | L226-S230 PolarHBondContact O-N 3.43Å; L226-S230 PolarHBondContact O-OG 2.47Å; L226-S230 VanDerWaalsContact O-OG 3.1Å; C227-S230 PolarHBondContact O-N 2.79Å; S230-L232 VanDerWaalsContact C-N 3.34Å; S230-F233 PolarHBondContact O-N 3.42Å; S230-L234 WeakPolarHBondContact O-CB 3.45Å; S230-L234 PolarHBondContact O-N 2.89Å |
| 231 | I | 86.8 | Confident | 82.8 | Confident | 122 Ų | 122 | 101.2 Ų | 101.2 | 63% | 0.626 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.2 | -40.6 | 177.1 | -67.3 | 163.9 | 0 | 0 | 0 | 110.8 | C227 L228 P235 | C227-I231 VanDerWaalsContact O-CG1 3.31Å; C227-I231 WeakPolarHBondContact O-CG1 3.27Å; C227-I231 PolarHBondContact O-N 2.84Å; L228-I231 PolarHBondContact O-N 3.31Å; I231-P235 VanDerWaalsContact O-CD 3.29Å; I231-P235 WeakPolarHBondContact O-CD 3.22Å |
| 232 | L | 86.6 | Confident | 83.6 | Confident | 108 Ų | 108 | 105.2 Ų | 105.2 | 57% | 0.565 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -68 | -38.7 | 178.6 | -168.1 | 80 | 0 | 0 | 0 | 112.5 | L228 F229 S230 P235 | L228-L232 WeakPolarHBondContact O-CB 3.38Å; L228-L232 PolarHBondContact O-N 3.02Å; F229-L232 PolarHBondContact O-N 3.25Å; S230-L232 VanDerWaalsContact C-N 3.34Å; L232-P235 WeakPolarHBondContact O-CD 3.16Å; L232-P235 WeakPolarHBondContact O-CG 3.34Å |
| 233 | F | 86.8 | Confident | 84.3 | Confident | 91 Ų | 91 | 105.1 Ų | 105.1 | 40% | 0.399 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -83 | -19.7 | -179.1 | -92.7 | -92.4 | 0 | 0 | 0 | 114.1 | F229 S230 I236 L237 | F229-F233 AromaticContact CD1-CD2 3.5Å; F229-F233 HydrophobicContact CD1-CD2 3.5Å; F229-F233 VanDerWaalsContact CD1-CD2 3.5Å; F229-F233 AromaticContact CD1-CE2 3.61Å; F229-F233 HydrophobicContact CD1-CE2 3.61Å; F229-F233 AromaticContact CE1-CD2 3.55Å; F229-F233 HydrophobicContact CE1-CD2 3.55Å; F229-F233 AromaticContact CE1-CE2 3.11Å; F229-F233 HydrophobicContact CE1-CE2 3.11Å; F229-F233 AromaticContact CE1-CZ 3.96Å; F229-F233 HydrophobicContact CE1-CZ 3.96Å; F229-F233 HydrophobicContact CG-CD2 4.41Å; F229-F233 HydrophobicContact CZ-CD2 4.47Å; F229-F233 AromaticContact CZ-CE2 3.76Å; F229-F233 HydrophobicContact CZ-CE2 3.76Å; F229-F233 WeakPolarHBondContact O-CB 3.46Å; F229-F233 WeakPolarHBondContact O-CD2 3.37Å; F229-F233 PolarHBondContact O-N 3.22Å; S230-F233 PolarHBondContact O-N 3.42Å; F233-I236 HydrophobicContact CD1-CD1 4.28Å; F233-I236 HydrophobicContact CE1-CD1 4.38Å; F233-I236 PolarHBondContact O-N 3.43Å; F233-I236 VanDerWaalsContact O-N 3.15Å; F233-L237 WeakPolarHBondContact O-CB 3.38Å; F233-L237 PolarHBondContact O-N 2.7Å |
| 234 | L | 84.5 | Confident | 84.6 | Confident | 116 Ų | 116 | 103.4 Ų | 103.4 | 61% | 0.607 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -51.3 | -51.6 | 178.1 | -160 | 94.7 | 0 | 0 | 0 | 113.3 | S230 I236 L237 M238 | S230-L234 WeakPolarHBondContact O-CB 3.45Å; S230-L234 PolarHBondContact O-N 2.89Å; L234-I236 VanDerWaalsContact C-N 3.33Å; L234-I236 PolarHBondContact O-N 3.2Å; L234-L237 PolarHBondContact O-N 3.14Å; L234-M238 VanDerWaalsContact O-CG 3.28Å; L234-M238 WeakPolarHBondContact O-CG 3.45Å; L234-M238 PolarHBondContact O-N 2.78Å |
| 235 | P | 82.1 | Confident | 84.6 | Confident | 75 Ų | 75 | 100.7 Ų | 100.7 | 49% | 0.487 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65 | -34.8 | 179.1 | 23.8 | -33.7 | 0 | 0 | 0 | 112.9 | I231 L232 L237 M238 V239 | I231-P235 VanDerWaalsContact O-CD 3.29Å; I231-P235 WeakPolarHBondContact O-CD 3.22Å; L232-P235 WeakPolarHBondContact O-CD 3.16Å; L232-P235 WeakPolarHBondContact O-CG 3.34Å; P235-L237 VanDerWaalsContact C-N 3.34Å; P235-M238 PolarHBondContact O-N 3.36Å; P235-V239 WeakPolarHBondContact O-CG2 3.5Å; P235-V239 PolarHBondContact O-N 3.41Å |
| 236 | I | 84.5 | Confident | 84.6 | Confident | 84 Ų | 84 | 100.5 Ų | 100.5 | 43% | 0.431 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 176.6 | -58.5 | 172.9 | 0 | 0 | 0 | 109.9 | F233 L234 M238 V239 I240 | F233-I236 HydrophobicContact CD1-CD1 4.28Å; F233-I236 HydrophobicContact CE1-CD1 4.38Å; F233-I236 PolarHBondContact O-N 3.43Å; F233-I236 VanDerWaalsContact O-N 3.15Å; L234-I236 VanDerWaalsContact C-N 3.33Å; L234-I236 PolarHBondContact O-N 3.2Å; I236-M238 VanDerWaalsContact C-N 3.35Å; I236-V239 PolarHBondContact O-N 2.89Å; I236-I240 HydrophobicContact CG2-CD1 4Å; I236-I240 VanDerWaalsContact O-CG1 3.3Å; I236-I240 WeakPolarHBondContact O-CG1 3.37Å; I236-I240 PolarHBondContact O-N 3.42Å; I236-I240 VanDerWaalsContact O-N 3.09Å |
| 237 | L | 83.7 | Confident | 84 | Confident | 116 Ų | 116 | 101.5 Ų | 101.5 | 61% | 0.607 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.3 | -37.8 | 179.1 | -144 | 114 | 0 | 0 | 0 | 111.8 | F233 L234 P235 I240 L241 | F233-L237 WeakPolarHBondContact O-CB 3.38Å; F233-L237 PolarHBondContact O-N 2.7Å; L234-L237 PolarHBondContact O-N 3.14Å; P235-L237 VanDerWaalsContact C-N 3.34Å; L237-I240 PolarHBondContact O-N 3.47Å; L237-L241 WeakPolarHBondContact O-CB 3.33Å; L237-L241 PolarHBondContact O-N 3.3Å |
| 238 | M | 85.8 | Confident | 82.7 | Confident | 113 Ų | 113 | 109.5 Ų | 109.5 | 56% | 0.557 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.1 | -41.7 | 176.4 | -68.5 | -65.9 | -82.6 | 0 | 0 | 112 | L234 P235 I236 I240 L241 E242 | L234-M238 VanDerWaalsContact O-CG 3.28Å; L234-M238 WeakPolarHBondContact O-CG 3.45Å; L234-M238 PolarHBondContact O-N 2.78Å; P235-M238 PolarHBondContact O-N 3.36Å; I236-M238 VanDerWaalsContact C-N 3.35Å; M238-I240 VanDerWaalsContact C-N 3.35Å; M238-I240 PolarHBondContact O-N 3.32Å; M238-L241 PolarHBondContact O-N 3.45Å; M238-E242 PolarHBondContact O-N 3.25Å |
| 239 | V | 85.9 | Confident | 82.6 | Confident | 97 Ų | 97 | 108.8 Ų | 108.8 | 59% | 0.588 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.1 | -40.4 | 175.9 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | P235 I236 L241 S243 | P235-V239 WeakPolarHBondContact O-CG2 3.5Å; P235-V239 PolarHBondContact O-N 3.41Å; I236-V239 PolarHBondContact O-N 2.89Å; V239-L241 VanDerWaalsContact C-N 3.35Å; V239-S243 WeakPolarHBondContact O-CB 3.39Å; V239-S243 PolarHBondContact O-N 2.78Å |
| 240 | I | 84.8 | Confident | 82.4 | Confident | 100 Ų | 100 | 108.2 Ų | 108.2 | 51% | 0.513 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65 | -40.8 | 175 | -66.5 | 166.7 | 0 | 0 | 0 | 110.6 | I236 L237 M238 S243 V244 | I236-I240 HydrophobicContact CG2-CD1 4Å; I236-I240 VanDerWaalsContact O-CG1 3.3Å; I236-I240 WeakPolarHBondContact O-CG1 3.37Å; I236-I240 PolarHBondContact O-N 3.42Å; I236-I240 VanDerWaalsContact O-N 3.09Å; L237-I240 PolarHBondContact O-N 3.47Å; M238-I240 VanDerWaalsContact C-N 3.35Å; M238-I240 PolarHBondContact O-N 3.32Å; I240-S243 WeakPolarHBondContact O-CB 3.2Å; I240-S243 PolarHBondContact O-N 2.76Å; I240-V244 WeakPolarHBondContact O-CG2 3.3Å; I240-V244 PolarHBondContact O-N 2.96Å |
| 241 | L | 85.8 | Confident | 82.4 | Confident | 99 Ų | 99 | 110.4 Ų | 110.4 | 52% | 0.518 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.5 | -44.1 | 179 | -165 | 76.2 | 0 | 0 | 0 | 111.9 | L237 M238 V239 S243 V244 L245 | L237-L241 WeakPolarHBondContact O-CB 3.33Å; L237-L241 PolarHBondContact O-N 3.3Å; M238-L241 PolarHBondContact O-N 3.45Å; V239-L241 VanDerWaalsContact C-N 3.35Å; L241-S243 VanDerWaalsContact C-N 3.35Å; L241-V244 PolarHBondContact O-N 3.29Å; L241-L245 HydrophobicContact CD1-CD1 4.3Å; L241-L245 HydrophobicContact CG-CD1 3.87Å; L241-L245 WeakPolarHBondContact O-CD1 3.3Å; L241-L245 PolarHBondContact O-N 3.49Å |
| 242 | E | 85.2 | Confident | 82.1 | Confident | 147 Ų | 147 | 109.7 Ų | 109.7 | 69% | 0.687 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -59.8 | -44 | 173.1 | -99.3 | -174.5 | 155.5 | 0 | 0 | 111.8 | M238 V244 L245 S246 | M238-E242 PolarHBondContact O-N 3.25Å; E242-V244 VanDerWaalsContact C-N 3.28Å; E242-V244 PolarHBondContact O-N 2.72Å; E242-L245 PolarHBondContact O-N 3.21Å; E242-S246 WeakPolarHBondContact O-CB 3.04Å; E242-S246 PolarHBondContact O-N 3.33Å |
| 243 | S | 83.4 | Confident | 81.8 | Confident | 63 Ų | 63 | 109.8 Ų | 109.8 | 44% | 0.441 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61 | -34.4 | 176.1 | 159.7 | 0 | 0 | 0 | 0 | 113.2 | V239 I240 L241 N247 | V239-S243 WeakPolarHBondContact O-CB 3.39Å; V239-S243 PolarHBondContact O-N 2.78Å; I240-S243 WeakPolarHBondContact O-CB 3.2Å; I240-S243 PolarHBondContact O-N 2.76Å; L241-S243 VanDerWaalsContact C-N 3.35Å; S243-N247 PolarHBondContact O-ND2 2.89Å |
| 244 | V | 85.7 | Confident | 81.5 | Confident | 78 Ų | 78 | 111.1 Ų | 111.1 | 47% | 0.473 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -77.8 | -41 | 177.9 | 172 | 0 | 0 | 0 | 0 | 110.7 | I240 L241 E242 N247 | I240-V244 WeakPolarHBondContact O-CG2 3.3Å; I240-V244 PolarHBondContact O-N 2.96Å; L241-V244 PolarHBondContact O-N 3.29Å; E242-V244 VanDerWaalsContact C-N 3.28Å; E242-V244 PolarHBondContact O-N 2.72Å; V244-N247 PolarHBondContact O-N 3.32Å |
| 245 | L | 81.2 | Confident | 81.3 | Confident | 116 Ų | 116 | 110.7 Ų | 110.7 | 61% | 0.607 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67.9 | -31.8 | 176.8 | -96.1 | 103.8 | 0 | 0 | 0 | 113.2 | L241 E242 N247 F248 | L241-L245 HydrophobicContact CD1-CD1 4.3Å; L241-L245 HydrophobicContact CG-CD1 3.87Å; L241-L245 WeakPolarHBondContact O-CD1 3.3Å; L241-L245 PolarHBondContact O-N 3.49Å; E242-L245 PolarHBondContact O-N 3.21Å; L245-N247 PolarHBondContact O-N 2.88Å; L245-F248 PolarHBondContact O-N 2.77Å |
| 246 | S | 81.2 | Confident | 81.2 | Confident | 92 Ų | 92 | 113.5 Ų | 113.5 | 64% | 0.643 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -8 | 178.3 | 91.9 | 0 | 0 | 0 | 0 | 113.8 | E242 | E242-S246 WeakPolarHBondContact O-CB 3.04Å; E242-S246 PolarHBondContact O-N 3.33Å |
| 247 | N | 70.2 | Confident | 81 | Confident | 130 Ų | 130 | 115.9 Ų | 115.9 | 70% | 0.695 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | 0.4 | 178.4 | -82.2 | -43 | 0 | 0 | 0 | 113 | S243 V244 L245 | S243-N247 PolarHBondContact O-ND2 2.89Å; V244-N247 PolarHBondContact O-N 3.32Å; L245-N247 PolarHBondContact O-N 2.88Å |
| 248 | F | 59 | Low | 80.7 | Confident | 240 Ų | 240 | 115.9 Ų | 115.9 | 100% | 1.053 | 62% | 0.616 | S | S | * | * | trans | -107 | 0 | 169.4 | -90.1 | -82.7 | 0 | 0 | 0 | 110.2 | L245 | L245-F248 PolarHBondContact O-N 2.77Š|
Retrieved 248 of 248 residues in 75.7 ms
(Link to these results)