| 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 | 39.4 | Very low | 40.9 | Very low | 239 Ų | 239 | 138.2 Ų | 138.2 | 100% | 1.177 | 73% | 0.727 | S | S | * | * | 0 | 63 | 0 | -155.9 | 178.6 | -74.9 | 0 | 0 | 106.3 | |||||
| 2 | E | 38.6 | Very low | 40.7 | Very low | 183 Ų | 183 | 135.3 Ų | 135.3 | 86% | 0.855 | 71% | 0.711 | S | S | * | * | trans | -147.7 | 49.2 | -161.5 | -73.2 | -179.6 | 126.1 | 0 | 0 | 110.6 | ||||
| 3 | R | 39.4 | Very low | 40.8 | Very low | 233 Ų | 233 | 131.5 Ų | 131.5 | 88% | 0.879 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -128.2 | -1 | 175.4 | -74.5 | -170.9 | 176.6 | 177.3 | -1.1 | 114.4 | ||
| 4 | A | 39.7 | Very low | 40.7 | Very low | 85 Ų | 85 | 132.6 Ų | 132.6 | 70% | 0.702 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -87.7 | -19.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 5 | S | 46.2 | Very low | 40.4 | Very low | 88 Ų | 88 | 130.7 Ų | 130.7 | 62% | 0.615 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -83.9 | -19.1 | -173.5 | -59.5 | 0 | 0 | 0 | 0 | 115.1 | L9 | S5-L9 WeakPolarHBondContact O-CD1 3.47Å |
| 6 | C | 40 | Very low | 40 | Very low | 92 Ų | 92 | 132.5 Ų | 132.5 | 62% | 0.622 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -81.2 | -23.9 | -179.8 | -80.7 | 0 | 0 | 0 | 0 | 114 | L9 L10 | C6-L9 PolarHBondContact O-N 3.34Å; C6-L10 PolarHBondContact O-N 3.49Å |
| 7 | L | 39.7 | Very low | 39.9 | Very low | 127 Ų | 127 | 131.9 Ų | 131.9 | 67% | 0.665 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -76.4 | -28.7 | 176.5 | -102.2 | 143.3 | 0 | 0 | 0 | 112.3 | ||
| 8 | L | 40.8 | Very low | 39.7 | Very low | 128 Ų | 128 | 129.4 Ų | 129.4 | 67% | 0.67 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -72.4 | -30.6 | 172.4 | -128.8 | 82.1 | 0 | 0 | 0 | 112.2 | L11 | L8-L11 PolarHBondContact O-N 3.41Å |
| 9 | L | 43.3 | Very low | 39.5 | Very low | 111 Ų | 111 | 127.7 Ų | 127.7 | 58% | 0.581 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -75 | -21.6 | 176.5 | -81 | 158.6 | 0 | 0 | 0 | 113.8 | S5 C6 L11 L12 | S5-L9 WeakPolarHBondContact O-CD1 3.47Å; C6-L9 PolarHBondContact O-N 3.34Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-L12 HydrophobicContact CD2-CD1 3.85Å; L9-L12 HydrophobicContact CG-CD1 4.4Å |
| 10 | L | 44 | Very low | 39.8 | Very low | 132 Ų | 132 | 126.8 Ų | 126.8 | 69% | 0.691 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -10.8 | 173.5 | -82.4 | 158.7 | 0 | 0 | 0 | 113.6 | C6 P13 | C6-L10 PolarHBondContact O-N 3.49Å; L10-P13 VanDerWaalsContact O-CD 3.26Å; L10-P13 WeakPolarHBondContact O-CD 3.26Å |
| 11 | L | 39.2 | Very low | 40.3 | Very low | 102 Ų | 102 | 126.7 Ų | 126.7 | 53% | 0.534 | 71% | 0.706 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.6 | -10.7 | 174 | -68.5 | 169.3 | 0 | 0 | 0 | 113 | L8 L9 P13 L14 | L8-L11 PolarHBondContact O-N 3.41Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L11-P13 VanDerWaalsContact C-N 3.33Å; L11-L14 HydrophobicContact CD2-CD1 3.89Å; L11-L14 WeakPolarHBondContact O-CB 3.5Å; L11-L14 PolarHBondContact O-N 3.15Å; L11-L14 VanDerWaalsContact O-N 3.15Å |
| 12 | L | 37.8 | Very low | 41.4 | Very low | 103 Ų | 103 | 119.9 Ų | 119.9 | 54% | 0.539 | 68% | 0.68 | S | S | . | * | G | 310 helix | trans | -64.9 | -17.9 | 173.7 | -92 | 143.7 | 0 | 0 | 0 | 116 | L9 L14 | L9-L12 HydrophobicContact CD2-CD1 3.85Å; L9-L12 HydrophobicContact CG-CD1 4.4Å; L12-L14 VanDerWaalsContact C-N 3.3Å |
| 13 | P | 42 | Very low | 43.2 | Very low | 87 Ų | 87 | 116.8 Ų | 116.8 | 57% | 0.565 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -76.3 | -13.9 | 169.6 | -8 | 24.8 | 0 | 0 | 0 | 113.7 | L10 L11 V15 | L10-P13 VanDerWaalsContact O-CD 3.26Å; L10-P13 WeakPolarHBondContact O-CD 3.26Å; L11-P13 VanDerWaalsContact C-N 3.33Å; P13-V15 VanDerWaalsContact C-N 3.25Å; P13-V15 PolarHBondContact O-N 3.46Å |
| 14 | L | 39.3 | Very low | 45.4 | Very low | 146 Ų | 146 | 107.8 Ų | 107.8 | 76% | 0.764 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -81 | -4.1 | 176 | -78.8 | 157.5 | 0 | 0 | 0 | 113.2 | L11 L12 | L11-L14 HydrophobicContact CD2-CD1 3.89Å; L11-L14 WeakPolarHBondContact O-CB 3.5Å; L11-L14 PolarHBondContact O-N 3.15Å; L11-L14 VanDerWaalsContact O-N 3.15Å; L12-L14 VanDerWaalsContact C-N 3.3Å |
| 15 | V | 36.8 | Very low | 47.9 | Very low | 105 Ų | 105 | 103.7 Ų | 103.7 | 64% | 0.636 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -110.4 | 17 | 174.6 | -155.8 | 0 | 0 | 0 | 0 | 111.2 | P13 V17 | P13-V15 VanDerWaalsContact C-N 3.25Å; P13-V15 PolarHBondContact O-N 3.46Å; V15-V17 PolarHBondContact O-N 2.77Å |
| 16 | H | 34.1 | Very low | 50.1 | Low | 159 Ų | 159 | 105.1 Ų | 105.1 | 74% | 0.736 | 60% | 0.6 | S | S | * | * | trans | -68.1 | 83 | 148.7 | -82.4 | 32.5 | 0 | 0 | 0 | 106.5 | S18 | H16-S18 PolarHBondContact O-N 2.84Š| ||
| 17 | V | 37.3 | Very low | 52.7 | Low | 122 Ų | 122 | 103 Ų | 103 | 74% | 0.739 | 58% | 0.582 | S | S | * | * | trans | -48.7 | 94.7 | 145.6 | 177.5 | 0 | 0 | 0 | 0 | 103.4 | V15 A19 | V15-V17 PolarHBondContact O-N 2.77Å; V17-A19 PolarHBondContact O-N 3Å | ||
| 18 | S | 36.6 | Very low | 55.1 | Low | 88 Ų | 88 | 99.6 Ų | 99.6 | 62% | 0.615 | 57% | 0.565 | S | S | * | * | trans | -41.5 | 119.8 | 152.2 | -82.2 | 0 | 0 | 0 | 0 | 103.4 | H16 T20 | H16-S18 PolarHBondContact O-N 2.84Å; S18-T20 PolarHBondContact O-N 2.96Å | ||
| 19 | A | 36.2 | Very low | 57.2 | Low | 96 Ų | 96 | 101.5 Ų | 101.5 | 79% | 0.793 | 58% | 0.575 | S | S | * | * | trans | -57.9 | 86.8 | 155 | 0 | 0 | 0 | 0 | 0 | 103.5 | V17 T21 | V17-A19 PolarHBondContact O-N 3Å; A19-T21 PolarHBondContact O-N 2.65Å | ||
| 20 | T | 45.2 | Very low | 59.3 | Low | 109 Ų | 109 | 104.2 Ų | 104.2 | 67% | 0.669 | 59% | 0.585 | S | S | * | * | trans | -55.7 | 112.2 | 173 | 37 | 0 | 0 | 0 | 0 | 102 | S18 P22 | S18-T20 PolarHBondContact O-N 2.96Å; T20-P22 VanDerWaalsContact O-CD 3.26Å; T20-P22 WeakPolarHBondContact O-CD 3.35Å | ||
| 21 | T | 51.4 | Low | 61.3 | Low | 125 Ų | 125 | 101.4 Ų | 101.4 | 77% | 0.767 | 57% | 0.571 | S | S | * | * | trans | -45.5 | 115.4 | 158 | 43.7 | 0 | 0 | 0 | 0 | 104.5 | A19 E23 | A19-T21 PolarHBondContact O-N 2.65Å; T21-E23 PolarHBondContact O-N 3.01Å | ||
| 22 | P | 62.8 | Low | 63.9 | Low | 97 Ų | 97 | 100.6 Ų | 100.6 | 63% | 0.63 | 56% | 0.563 | S | S | * | * | trans | -52.4 | 133.5 | -175.5 | 12.2 | -21.7 | 0 | 0 | 0 | 107.6 | T20 | T20-P22 VanDerWaalsContact O-CD 3.26Å; T20-P22 WeakPolarHBondContact O-CD 3.35Å | ||
| 23 | E | 74.8 | Confident | 66.6 | Low | 117 Ų | 117 | 100.7 Ų | 100.7 | 55% | 0.547 | 56% | 0.556 | S | S | . | * | trans | -55.6 | 142.5 | 178.3 | -72 | -172.1 | -177.4 | 0 | 0 | 108.1 | T21 C25 Q50 | T21-E23 PolarHBondContact O-N 3.01Å; E23-C25 PolarHBondContact O-N 3.27Å; E23-Q50 PolarHBondContact OE2-NE2 2.95Å | ||
| 24 | P | 86.1 | Confident | 69.3 | Low | 44 Ų | 44 | 96.5 Ų | 96.5 | 29% | 0.286 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -56.7 | -24.7 | -175.1 | -27.4 | 35.6 | 0 | 0 | 0 | 113.1 | C36 N37 F38 E47 | P24-C36 CarbonylContact O-C 3.58Å; P24-C36 WeakPolarHBondContact O-CA 3.44Å; P24-N37 PolarHBondContact O-N 2.91Å; P24-F38 HydrophobicContact CB-CD1 4.13Å; P24-F38 HydrophobicContact CB-CE1 3.92Å; P24-E47 HydrophobicContact CB-CB 4.1Å; P24-E47 HydrophobicContact CB-CG 4.32Å; P24-E47 HydrophobicContact CG-CB 4.33Å; P24-E47 HydrophobicContact CG-CG 3.99Å |
| 25 | C | 93.1 | Very high | 72 | Confident | 0 Ų | 0 | 92 Ų | 92 | 0% | 0 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 135.4 | 172.6 | -63.5 | 0 | 0 | 0 | 0 | 110.4 | E23 V35 C36 F38 E47 Q50 | E23-C25 PolarHBondContact O-N 3.27Å; C25-V35 CarbonylContact C-O 3.59Å; C25-V35 WeakPolarHBondContact CA-O 3.49Å; C25-C36 HydrophobicContact CB-CB 4.14Å; C25-C36 WeakPolarHBondContact CB-SG 3.15Å; C25-C36 WeakPolarHBondContact SG-CB 3.37Å; C25-C36 CovalentContact SG-SG 2.04Å; C25-C36 PolarHBondContact SG-SG 2.67Å; C25-F38 VanDerWaalsContact SG-CZ 3.54Å; C25-E47 VanDerWaalsContact SG-C 3.6Å; C25-E47 PolarHBondContact SG-O 3.1Å; C25-Q50 PolarHBondContact O-OE1 3.32Å |
| 26 | E | 92.4 | Very high | 74.8 | Confident | 117 Ų | 117 | 87.1 Ų | 87.1 | 55% | 0.547 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 120.2 | 175.4 | -66.2 | -179.5 | 175 | 0 | 0 | 109 | C34 V35 | E26-C34 CarbonylContact O-C 3.55Å; E26-C34 WeakPolarHBondContact O-CA 3.41Å; E26-V35 PolarHBondContact N-O 2.89Å; E26-V35 PolarHBondContact O-N 3.44Å |
| 27 | L | 93 | Very high | 77.7 | Confident | 48 Ų | 48 | 83.8 Ų | 83.8 | 25% | 0.251 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 130.6 | 173.4 | -175.9 | 65.3 | 0 | 0 | 0 | 109.3 | N31 C34 S53 A54 | L27-N31 HydrophobicContact CD2-CB 4.2Å; L27-N31 WeakPolarHBondContact CD2-OD1 3.34Å; L27-C34 HydrophobicContact CD1-CB 3.77Å; L27-S53 WeakPolarHBondContact CD2-OG 3.36Å; L27-A54 HydrophobicContact CD1-CB 3.74Å |
| 28 | D | 91.2 | Very high | 80.4 | Confident | 55 Ų | 55 | 78.1 Ų | 78.1 | 29% | 0.294 | 43% | 0.431 | S | S | . | . | trans | -66 | 159.9 | 177 | 68.5 | 1.5 | 0 | 0 | 0 | 112.9 | E30 N31 F32 R33 | D28-E30 PolarHBondContact O-N 3.27Å; D28-E30 VanDerWaalsContact O-N 3.08Å; D28-N31 PolarHBondContact O-N 3.27Å; D28-N31 WeakPolarHBondContact OD1-CA 3.32Å; D28-N31 PolarHBondContact OD1-N 3.21Å; D28-F32 PolarHBondContact OD1-N 3.3Å; D28-R33 VanDerWaalsContact CG-O 3.29Å; D28-R33 PolarHBondContact N-O 2.63Å; D28-R33 PolarHBondContact OD1-N 2.74Å; D28-R33 WeakPolarHBondContact OD2-CB 3.38Å; D28-R33 PolarHBondContact OD2-N 3.08Å | ||
| 29 | D | 84.3 | Confident | 83 | Confident | 168 Ų | 168 | 76.4 Ų | 76.4 | 90% | 0.898 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -26.3 | -176 | -64.7 | -35.4 | 0 | 0 | 0 | 113 | N31 | D29-N31 VanDerWaalsContact C-N 3.34Š|
| 30 | E | 87.2 | Confident | 85.4 | Confident | 168 Ų | 168 | 78.3 Ų | 78.3 | 79% | 0.785 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -2.9 | 178.6 | -63.3 | -168.8 | 173 | 0 | 0 | 113.5 | D28 F32 | D28-E30 PolarHBondContact O-N 3.27Å; D28-E30 VanDerWaalsContact O-N 3.08Å; E30-F32 HydrophobicContact CB-CB 4.27Å; E30-F32 PolarHBondContact O-N 3.25Å |
| 31 | N | 86.1 | Confident | 87.2 | Confident | 74 Ų | 74 | 77.5 Ų | 77.5 | 40% | 0.396 | 41% | 0.408 | S | S | . | . | S | Bend | trans | 53.3 | 33.1 | -171.6 | -54.6 | -96.9 | 0 | 0 | 0 | 112.6 | L27 D28 D29 | L27-N31 HydrophobicContact CD2-CB 4.2Å; L27-N31 WeakPolarHBondContact CD2-OD1 3.34Å; D28-N31 PolarHBondContact O-N 3.27Å; D28-N31 WeakPolarHBondContact OD1-CA 3.32Å; D28-N31 PolarHBondContact OD1-N 3.21Å; D29-N31 VanDerWaalsContact C-N 3.34Å |
| 32 | F | 93.8 | Very high | 88.8 | Confident | 84 Ų | 84 | 80.1 Ų | 80.1 | 37% | 0.368 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -96.2 | -51.8 | -179.7 | -178.7 | -93.8 | 0 | 0 | 0 | 111.4 | D28 E30 V55 E56 | D28-F32 PolarHBondContact OD1-N 3.3Å; E30-F32 HydrophobicContact CB-CB 4.27Å; E30-F32 PolarHBondContact O-N 3.25Å; F32-V55 HydrophobicContact CD2-CB 4.09Å; F32-V55 HydrophobicContact CD2-CG2 4.3Å; F32-V55 HydrophobicContact CE2-CB 4.04Å; F32-V55 HydrophobicContact CE2-CG1 4.09Å; F32-V55 PolarHBondContact O-N 3.05Å; F32-E56 HydrophobicContact CE1-CB 4.3Å; F32-E56 PolarHBondContact O-N 3.06Å |
| 33 | R | 96.1 | Very high | 89.9 | Confident | 105 Ų | 105 | 76.5 Ų | 76.5 | 40% | 0.396 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 131 | -177.3 | -175 | 177 | 179.9 | -171.2 | 0.6 | 111.4 | D28 V35 E56 E58 | D28-R33 VanDerWaalsContact CG-O 3.29Å; D28-R33 PolarHBondContact N-O 2.63Å; D28-R33 PolarHBondContact OD1-N 2.74Å; D28-R33 WeakPolarHBondContact OD2-CB 3.38Å; D28-R33 PolarHBondContact OD2-N 3.08Å; R33-V35 HydrophobicContact CG-CG2 4.26Å; R33-E56 CarbonylContact C-O 3.55Å; R33-E56 WeakPolarHBondContact CA-O 3.26Å; R33-E56 HydrophobicContact CB-CB 4.41Å; R33-E56 HydrophobicContact CG-CB 4.37Å; R33-E56 HydrophobicContact CG-CG 4.3Å; R33-E56 IonicContact NE-OE1 2.85Å; R33-E58 IonicContact CZ-OE2 3.67Å; R33-E58 IonicContact NH2-OE2 3.89Å; R33-E58 PolarHBondContact NH2-OE2 3.34Å |
| 34 | C | 97 | Very high | 90.6 | Very high | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 131.1 | 172 | -159.3 | 0 | 0 | 0 | 0 | 110.3 | E26 L27 C51 A54 E56 V57 E58 | E26-C34 CarbonylContact O-C 3.55Å; E26-C34 WeakPolarHBondContact O-CA 3.41Å; L27-C34 HydrophobicContact CD1-CB 3.77Å; C34-C51 HydrophobicContact CB-CB 3.48Å; C34-C51 VanDerWaalsContact CB-CB 3.48Å; C34-C51 WeakPolarHBondContact CB-SG 3.44Å; C34-C51 WeakPolarHBondContact SG-CA 3.12Å; C34-C51 WeakPolarHBondContact SG-CB 3.4Å; C34-C51 CovalentContact SG-SG 2.02Å; C34-C51 PolarHBondContact SG-SG 3.19Å; C34-A54 HydrophobicContact CB-CB 3.74Å; C34-E56 PolarHBondContact N-O 3.22Å; C34-V57 HydrophobicContact CB-CG2 4.46Å; C34-V57 CarbonylContact O-C 3.56Å; C34-V57 WeakPolarHBondContact O-CA 3.46Å; C34-E58 PolarHBondContact O-N 3.08Å |
| 35 | V | 96.5 | Very high | 90.7 | Very high | 52 Ų | 52 | 76.7 Ų | 76.7 | 32% | 0.315 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 120.3 | 177.8 | -177.4 | 0 | 0 | 0 | 0 | 108.8 | C25 E26 R33 E58 | C25-V35 CarbonylContact C-O 3.59Å; C25-V35 WeakPolarHBondContact CA-O 3.49Å; E26-V35 PolarHBondContact N-O 2.89Å; E26-V35 PolarHBondContact O-N 3.44Å; R33-V35 HydrophobicContact CG-CG2 4.26Å; V35-E58 HydrophobicContact CG1-CB 4.41Å; V35-E58 HydrophobicContact CG1-CG 4.5Å; V35-E58 HydrophobicContact CG2-CB 4.31Å |
| 36 | C | 96.2 | Very high | 90.6 | Very high | 1 Ų | 1 | 79.5 Ų | 79.5 | 1% | 0.007 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 131.5 | 175.3 | -64.2 | 0 | 0 | 0 | 0 | 111.5 | P24 C25 F38 C51 E58 I59 R60 | P24-C36 CarbonylContact O-C 3.58Å; P24-C36 WeakPolarHBondContact O-CA 3.44Å; C25-C36 HydrophobicContact CB-CB 4.14Å; C25-C36 WeakPolarHBondContact CB-SG 3.15Å; C25-C36 WeakPolarHBondContact SG-CB 3.37Å; C25-C36 CovalentContact SG-SG 2.04Å; C25-C36 PolarHBondContact SG-SG 2.67Å; C36-F38 HydrophobicContact CB-CD2 4.11Å; C36-F38 HydrophobicContact CB-CE2 3.48Å; C36-F38 VanDerWaalsContact CB-CE2 3.48Å; C36-F38 HydrophobicContact CB-CZ 3.79Å; C36-C51 PolarHBondContact SG-SG 3.46Å; C36-E58 PolarHBondContact N-O 3.44Å; C36-I59 HydrophobicContact CB-CG1 4.46Å; C36-R60 PolarHBondContact O-N 2.88Å |
| 37 | N | 94.9 | Very high | 90.5 | Very high | 90 Ų | 90 | 76.6 Ų | 76.6 | 48% | 0.481 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 102.6 | 172.8 | -171.7 | -3 | 0 | 0 | 0 | 110.7 | P24 S39 | P24-N37 PolarHBondContact O-N 2.91Å; N37-S39 VanDerWaalsContact OD1-CB 3.27Å; N37-S39 WeakPolarHBondContact OD1-CB 3.33Å; N37-S39 PolarHBondContact OD1-N 3.48Å; N37-S39 PolarHBondContact OD1-OG 3.06Å |
| 38 | F | 93.8 | Very high | 90.4 | Very high | 2 Ų | 2 | 76 Ų | 76 | 1% | 0.009 | 39% | 0.393 | C | S | . | . | trans | -101.5 | 39.6 | 177.8 | -61 | -60 | 0 | 0 | 0 | 111.9 | P24 C25 C36 E40 P43 D44 W45 A48 I59 R60 L64 | P24-F38 HydrophobicContact CB-CD1 4.13Å; P24-F38 HydrophobicContact CB-CE1 3.92Å; C25-F38 VanDerWaalsContact SG-CZ 3.54Å; C36-F38 HydrophobicContact CB-CD2 4.11Å; C36-F38 HydrophobicContact CB-CE2 3.48Å; C36-F38 VanDerWaalsContact CB-CE2 3.48Å; C36-F38 HydrophobicContact CB-CZ 3.79Å; F38-E40 VanDerWaalsContact C-N 3.25Å; F38-E40 PolarHBondContact O-N 3.14Å; F38-P43 HydrophobicContact CB-CB 3.64Å; F38-P43 HydrophobicContact CB-CG 4.01Å; F38-P43 HydrophobicContact CD1-CB 3.84Å; F38-P43 HydrophobicContact CG-CB 4.14Å; F38-D44 WeakPolarHBondContact CE1-O 3.35Å; F38-W45 HydrophobicContact CB-CH2 4.05Å; F38-W45 HydrophobicContact CB-CZ3 4.02Å; F38-W45 HydrophobicContact CD1-CE3 4.4Å; F38-W45 AromaticContact CD2-CE3 3.72Å; F38-W45 HydrophobicContact CD2-CE3 3.72Å; F38-W45 HydrophobicContact CD2-CH2 4.31Å; F38-W45 AromaticContact CD2-CZ3 3.46Å; F38-W45 HydrophobicContact CD2-CZ3 3.46Å; F38-W45 VanDerWaalsContact CD2-CZ3 3.46Å; F38-W45 AromaticContact CE2-CE3 3.92Å; F38-W45 HydrophobicContact CE2-CE3 3.92Å; F38-W45 HydrophobicContact CE2-CZ3 4.04Å; F38-W45 AromaticContact CG-CE3 3.98Å; F38-W45 HydrophobicContact CG-CE3 3.98Å; F38-W45 HydrophobicContact CG-CH2 4.32Å; F38-W45 AromaticContact CG-CZ3 3.81Å; F38-W45 HydrophobicContact CG-CZ3 3.81Å; F38-W45 HydrophobicContact CZ-CE3 4.34Å; F38-A48 HydrophobicContact CZ-CB 4.05Å; F38-I59 HydrophobicContact CD2-CG2 3.76Å; F38-I59 HydrophobicContact CE2-CG2 3.93Å; F38-R60 PolarHBondContact N-O 3.27Å; F38-L64 WeakPolarHBondContact O-CD1 3.37Å | ||
| 39 | S | 90.3 | Very high | 90.4 | Very high | 53 Ų | 53 | 81.1 Ų | 81.1 | 37% | 0.371 | 41% | 0.412 | S | S | . | . | trans | -75.2 | -11.5 | -179.7 | -61.7 | 0 | 0 | 0 | 0 | 114.2 | N37 G62 | N37-S39 VanDerWaalsContact OD1-CB 3.27Å; N37-S39 WeakPolarHBondContact OD1-CB 3.33Å; N37-S39 PolarHBondContact OD1-N 3.48Å; N37-S39 PolarHBondContact OD1-OG 3.06Å; S39-G62 WeakPolarHBondContact OG-CA 3.26Å; S39-G62 PolarHBondContact OG-N 3.21Å | ||
| 40 | E | 87.8 | Confident | 90.8 | Very high | 135 Ų | 135 | 76.1 Ų | 76.1 | 63% | 0.631 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -65.5 | 145.6 | 177 | -70.1 | -59.1 | 143.4 | 0 | 0 | 111.4 | F38 H42 P43 L64 | F38-E40 VanDerWaalsContact C-N 3.25Å; F38-E40 PolarHBondContact O-N 3.14Å; E40-H42 PolarHBondContact O-N 2.88Å; E40-H42 VanDerWaalsContact O-N 3.09Å; E40-P43 WeakPolarHBondContact O-CD 3.33Å; E40-L64 WeakPolarHBondContact O-CD1 3.42Å |
| 41 | P | 83.3 | Confident | 91.1 | Very high | 92 Ų | 92 | 68.6 Ų | 68.6 | 60% | 0.597 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -57.7 | -30 | -175.4 | -26.5 | 34.2 | 0 | 0 | 0 | 115.1 | ||
| 42 | H | 83.7 | Confident | 91.4 | Very high | 180 Ų | 180 | 69 Ų | 69 | 83% | 0.833 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -130.6 | 76.9 | 175.4 | -60.9 | 88.2 | 0 | 0 | 0 | 108.4 | E40 | E40-H42 PolarHBondContact O-N 2.88Å; E40-H42 VanDerWaalsContact O-N 3.09Å |
| 43 | P | 86.9 | Confident | 91.3 | Very high | 22 Ų | 22 | 66.7 Ų | 66.7 | 14% | 0.143 | 35% | 0.349 | C | S | . | . | trans | -72.5 | 142.5 | -173.5 | 21.4 | -17.4 | 0 | 0 | 0 | 110.4 | F38 E40 W45 L64 | F38-P43 HydrophobicContact CB-CB 3.64Å; F38-P43 HydrophobicContact CB-CG 4.01Å; F38-P43 HydrophobicContact CD1-CB 3.84Å; F38-P43 HydrophobicContact CG-CB 4.14Å; E40-P43 WeakPolarHBondContact O-CD 3.33Å; P43-W45 HydrophobicContact CG-CH2 4.38Å; P43-W45 HydrophobicContact CG-CZ2 3.58Å; P43-W45 PolarHBondContact O-N 2.92Å; P43-W45 PolarHBondContact O-NE1 3.02Å; P43-L64 HydrophobicContact CG-CD1 4.24Å | ||
| 44 | D | 88.7 | Confident | 91.3 | Very high | 83 Ų | 83 | 61.7 Ų | 61.7 | 44% | 0.444 | 33% | 0.33 | S | S | . | . | trans | -82.8 | 97 | 171.3 | -169.5 | -11.2 | 0 | 0 | 0 | 110 | F38 S46 E47 | F38-D44 WeakPolarHBondContact CE1-O 3.35Å; D44-S46 VanDerWaalsContact CG-OG 3.26Å; D44-S46 PolarHBondContact O-N 2.83Å; D44-S46 VanDerWaalsContact OD1-CB 3.26Å; D44-S46 WeakPolarHBondContact OD1-CB 3.05Å; D44-S46 PolarHBondContact OD1-N 3.12Å; D44-S46 PolarHBondContact OD1-OG 2.91Å; D44-S46 PolarHBondContact OD2-OG 2.02Å; D44-E47 HydrophobicContact CB-CG 4.43Å; D44-E47 PolarHBondContact O-N 3.31Å | ||
| 45 | W | 89 | Confident | 91.3 | Very high | 82 Ų | 82 | 62.9 Ų | 62.9 | 31% | 0.311 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -68.1 | -14.4 | 179.8 | -56.7 | 89 | 0 | 0 | 0 | 113.5 | F38 P43 E47 A48 V61 L66 F69 | F38-W45 HydrophobicContact CB-CH2 4.05Å; F38-W45 HydrophobicContact CB-CZ3 4.02Å; F38-W45 HydrophobicContact CD1-CE3 4.4Å; F38-W45 AromaticContact CD2-CE3 3.72Å; F38-W45 HydrophobicContact CD2-CE3 3.72Å; F38-W45 HydrophobicContact CD2-CH2 4.31Å; F38-W45 AromaticContact CD2-CZ3 3.46Å; F38-W45 HydrophobicContact CD2-CZ3 3.46Å; F38-W45 VanDerWaalsContact CD2-CZ3 3.46Å; F38-W45 AromaticContact CE2-CE3 3.92Å; F38-W45 HydrophobicContact CE2-CE3 3.92Å; F38-W45 HydrophobicContact CE2-CZ3 4.04Å; F38-W45 AromaticContact CG-CE3 3.98Å; F38-W45 HydrophobicContact CG-CE3 3.98Å; F38-W45 HydrophobicContact CG-CH2 4.32Å; F38-W45 AromaticContact CG-CZ3 3.81Å; F38-W45 HydrophobicContact CG-CZ3 3.81Å; F38-W45 HydrophobicContact CZ-CE3 4.34Å; P43-W45 HydrophobicContact CG-CH2 4.38Å; P43-W45 HydrophobicContact CG-CZ2 3.58Å; P43-W45 PolarHBondContact O-N 2.92Å; P43-W45 PolarHBondContact O-NE1 3.02Å; W45-E47 PolarHBondContact O-N 2.87Å; W45-A48 VanDerWaalsContact O-CB 3.23Å; W45-A48 WeakPolarHBondContact O-CB 3.46Å; W45-A48 PolarHBondContact O-N 3.02Å; W45-A48 VanDerWaalsContact O-N 3.16Å; W45-V61 HydrophobicContact CH2-CG1 3.86Å; W45-V61 HydrophobicContact CH2-CG2 4.11Å; W45-V61 HydrophobicContact CZ3-CG2 4.37Å; W45-L66 HydrophobicContact CH2-CD2 4.09Å; W45-L66 HydrophobicContact CZ2-CD2 4.13Å; W45-F69 AromaticContact CE2-CZ 3.63Å; W45-F69 HydrophobicContact CZ2-CE2 4.03Å; W45-F69 AromaticContact CZ2-CZ 3.89Å; W45-F69 HydrophobicContact CZ2-CZ 3.89Å; W45-F69 AromaticContact NE1-CZ 3.38Å |
| 46 | S | 89.6 | Confident | 91.4 | Very high | 58 Ų | 58 | 62.2 Ų | 62.2 | 41% | 0.406 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -67.5 | -24.1 | 178.6 | 73 | 0 | 0 | 0 | 0 | 112.1 | D44 A48 F49 | D44-S46 VanDerWaalsContact CG-OG 3.26Å; D44-S46 PolarHBondContact O-N 2.83Å; D44-S46 VanDerWaalsContact OD1-CB 3.26Å; D44-S46 WeakPolarHBondContact OD1-CB 3.05Å; D44-S46 PolarHBondContact OD1-N 3.12Å; D44-S46 PolarHBondContact OD1-OG 2.91Å; D44-S46 PolarHBondContact OD2-OG 2.02Å; S46-A48 PolarHBondContact O-N 3.16Å; S46-A48 VanDerWaalsContact O-N 3.12Å; S46-F49 WeakPolarHBondContact O-CB 3.4Å; S46-F49 WeakPolarHBondContact O-CD2 3.35Å; S46-F49 PolarHBondContact O-N 3.12Å |
| 47 | E | 90.5 | Very high | 91.5 | Very high | 57 Ų | 57 | 62.9 Ų | 62.9 | 27% | 0.266 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -63.7 | -18.5 | 174.3 | -62.4 | -59.3 | 161.2 | 0 | 0 | 112.8 | P24 C25 D44 W45 F49 Q50 | P24-E47 HydrophobicContact CB-CB 4.1Å; P24-E47 HydrophobicContact CB-CG 4.32Å; P24-E47 HydrophobicContact CG-CB 4.33Å; P24-E47 HydrophobicContact CG-CG 3.99Å; C25-E47 VanDerWaalsContact SG-C 3.6Å; C25-E47 PolarHBondContact SG-O 3.1Å; D44-E47 HydrophobicContact CB-CG 4.43Å; D44-E47 PolarHBondContact O-N 3.31Å; W45-E47 PolarHBondContact O-N 2.87Å; E47-F49 PolarHBondContact O-N 3.44Å; E47-F49 VanDerWaalsContact O-N 3.1Å; E47-Q50 WeakPolarHBondContact O-CB 3.08Å; E47-Q50 VanDerWaalsContact O-CG 3.32Å; E47-Q50 WeakPolarHBondContact O-CG 3.23Å; E47-Q50 PolarHBondContact O-N 3.39Å; E47-Q50 PolarHBondContact OE2-NE2 3.27Å |
| 48 | A | 92.2 | Very high | 91.6 | Very high | 36 Ų | 36 | 59.9 Ų | 59.9 | 30% | 0.298 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -60 | -21.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F38 W45 S46 Q50 C51 | F38-A48 HydrophobicContact CZ-CB 4.05Å; W45-A48 VanDerWaalsContact O-CB 3.23Å; W45-A48 WeakPolarHBondContact O-CB 3.46Å; W45-A48 PolarHBondContact O-N 3.02Å; W45-A48 VanDerWaalsContact O-N 3.16Å; S46-A48 PolarHBondContact O-N 3.16Å; S46-A48 VanDerWaalsContact O-N 3.12Å; A48-Q50 PolarHBondContact O-N 3.36Å; A48-C51 WeakPolarHBondContact O-CB 3.05Å; A48-C51 PolarHBondContact O-N 2.94Å; A48-C51 VanDerWaalsContact O-N 3.12Å |
| 49 | F | 91 | Very high | 91.7 | Very high | 161 Ų | 161 | 61.6 Ų | 61.6 | 71% | 0.706 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -66.2 | -20.8 | 176.3 | -71.6 | -63.5 | 0 | 0 | 0 | 113 | S46 E47 C51 V52 | S46-F49 WeakPolarHBondContact O-CB 3.4Å; S46-F49 WeakPolarHBondContact O-CD2 3.35Å; S46-F49 PolarHBondContact O-N 3.12Å; E47-F49 PolarHBondContact O-N 3.44Å; E47-F49 VanDerWaalsContact O-N 3.1Å; F49-C51 PolarHBondContact O-N 2.98Å; F49-V52 WeakPolarHBondContact O-CB 3.03Å; F49-V52 WeakPolarHBondContact O-CG1 3.14Å; F49-V52 PolarHBondContact O-N 2.71Å |
| 50 | Q | 91.4 | Very high | 92 | Very high | 63 Ų | 63 | 61.7 Ų | 61.7 | 29% | 0.294 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -59.5 | -31.5 | 172 | -60.8 | -166.9 | 14.4 | 0 | 0 | 111.8 | E23 C25 E47 A48 V52 | E23-Q50 PolarHBondContact OE2-NE2 2.95Å; C25-Q50 PolarHBondContact O-OE1 3.32Å; E47-Q50 WeakPolarHBondContact O-CB 3.08Å; E47-Q50 VanDerWaalsContact O-CG 3.32Å; E47-Q50 WeakPolarHBondContact O-CG 3.23Å; E47-Q50 PolarHBondContact O-N 3.39Å; E47-Q50 PolarHBondContact OE2-NE2 3.27Å; A48-Q50 PolarHBondContact O-N 3.36Å; Q50-V52 VanDerWaalsContact C-N 3.27Å; Q50-V52 PolarHBondContact O-N 3.24Å |
| 51 | C | 94.6 | Very high | 92.3 | Very high | 11 Ų | 11 | 55.5 Ų | 55.5 | 7% | 0.074 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -80.3 | 3.7 | -178 | -57.6 | 0 | 0 | 0 | 0 | 115 | C34 C36 A48 F49 S53 A54 V57 | C34-C51 HydrophobicContact CB-CB 3.48Å; C34-C51 VanDerWaalsContact CB-CB 3.48Å; C34-C51 WeakPolarHBondContact CB-SG 3.44Å; C34-C51 WeakPolarHBondContact SG-CA 3.12Å; C34-C51 WeakPolarHBondContact SG-CB 3.4Å; C34-C51 CovalentContact SG-SG 2.02Å; C34-C51 PolarHBondContact SG-SG 3.19Å; C36-C51 PolarHBondContact SG-SG 3.46Å; A48-C51 WeakPolarHBondContact O-CB 3.05Å; A48-C51 PolarHBondContact O-N 2.94Å; A48-C51 VanDerWaalsContact O-N 3.12Å; F49-C51 PolarHBondContact O-N 2.98Å; C51-S53 PolarHBondContact O-N 3.21Å; C51-S53 VanDerWaalsContact O-N 3.14Å; C51-A54 WeakPolarHBondContact O-CB 3.26Å; C51-A54 PolarHBondContact O-N 3.45Å; C51-V57 HydrophobicContact CB-CG1 4.36Å; C51-V57 HydrophobicContact CB-CG2 4.2Å |
| 52 | V | 91.3 | Very high | 92.6 | Very high | 83 Ų | 83 | 53.2 Ų | 53.2 | 50% | 0.503 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -59.3 | -30.3 | -172.4 | 70.7 | 0 | 0 | 0 | 0 | 113.5 | F49 Q50 L89 | F49-V52 WeakPolarHBondContact O-CB 3.03Å; F49-V52 WeakPolarHBondContact O-CG1 3.14Å; F49-V52 PolarHBondContact O-N 2.71Å; Q50-V52 VanDerWaalsContact C-N 3.27Å; Q50-V52 PolarHBondContact O-N 3.24Å; V52-L89 HydrophobicContact CB-CD2 4.5Å; V52-L89 HydrophobicContact CG2-CD2 3.5Å; V52-L89 VanDerWaalsContact CG2-CD2 3.5Å |
| 53 | S | 92.2 | Very high | 93 | Very high | 34 Ų | 34 | 47 Ų | 47 | 24% | 0.238 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -86.1 | -14.1 | -179.1 | 59 | 0 | 0 | 0 | 0 | 113.7 | L27 C51 R90 | L27-S53 WeakPolarHBondContact CD2-OG 3.36Å; C51-S53 PolarHBondContact O-N 3.21Å; C51-S53 VanDerWaalsContact O-N 3.14Å; S53-R90 WeakPolarHBondContact O-CD 3.42Å |
| 54 | A | 96.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -73.6 | 152 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L27 C34 C51 V57 R90 V91 | L27-A54 HydrophobicContact CD1-CB 3.74Å; C34-A54 HydrophobicContact CB-CB 3.74Å; C51-A54 WeakPolarHBondContact O-CB 3.26Å; C51-A54 PolarHBondContact O-N 3.45Å; A54-V57 HydrophobicContact CB-CG2 3.99Å; A54-R90 CarbonylContact O-C 3.6Å; A54-R90 VanDerWaalsContact O-C 3.29Å; A54-V91 WeakPolarHBondContact O-CA 3.31Å; A54-V91 PolarHBondContact O-N 2.87Å; A54-V91 VanDerWaalsContact O-N 3.14Å | ||
| 55 | V | 97.1 | Very high | 93.5 | Very high | 26 Ų | 26 | 46.5 Ų | 46.5 | 16% | 0.158 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -93.9 | -35.6 | 174.4 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | F32 R90 V91 R92 R93 | F32-V55 HydrophobicContact CD2-CB 4.09Å; F32-V55 HydrophobicContact CD2-CG2 4.3Å; F32-V55 HydrophobicContact CE2-CB 4.04Å; F32-V55 HydrophobicContact CE2-CG1 4.09Å; F32-V55 PolarHBondContact O-N 3.05Å; V55-R90 HydrophobicContact CG2-CB 4.5Å; V55-V91 WeakPolarHBondContact O-CA 3.39Å; V55-R92 HydrophobicContact CG1-CB 3.99Å; V55-R92 HydrophobicContact CG1-CG 3.96Å; V55-R92 PolarHBondContact O-N 3.21Å; V55-R93 PolarHBondContact O-N 2.87Å; V55-R93 VanDerWaalsContact O-N 3.1Å |
| 56 | E | 97.9 | Very high | 93.7 | Very high | 38 Ų | 38 | 43.9 Ų | 43.9 | 18% | 0.178 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 124.9 | 176.9 | -174.4 | 167 | 146.4 | 0 | 0 | 109.5 | F32 R33 C34 R93 | F32-E56 HydrophobicContact CE1-CB 4.3Å; F32-E56 PolarHBondContact O-N 3.06Å; R33-E56 CarbonylContact C-O 3.55Å; R33-E56 WeakPolarHBondContact CA-O 3.26Å; R33-E56 HydrophobicContact CB-CB 4.41Å; R33-E56 HydrophobicContact CG-CB 4.37Å; R33-E56 HydrophobicContact CG-CG 4.3Å; R33-E56 IonicContact NE-OE1 2.85Å; C34-E56 PolarHBondContact N-O 3.22Å; E56-R93 WeakPolarHBondContact CA-O 3.09Å; E56-R93 HydrophobicContact CB-CB 4.28Å; E56-R93 HydrophobicContact CG-CB 4.03Å; E56-R93 IonicContact OE2-NH1 3.26Å |
| 57 | V | 98.1 | Very high | 93.8 | Very high | 14 Ų | 14 | 45.6 Ų | 45.6 | 9% | 0.085 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 128.3 | -179.9 | -179.2 | 0 | 0 | 0 | 0 | 109 | C34 C51 A54 I59 V91 R93 L94 T95 | C34-V57 HydrophobicContact CB-CG2 4.46Å; C34-V57 CarbonylContact O-C 3.56Å; C34-V57 WeakPolarHBondContact O-CA 3.46Å; C51-V57 HydrophobicContact CB-CG1 4.36Å; C51-V57 HydrophobicContact CB-CG2 4.2Å; A54-V57 HydrophobicContact CB-CG2 3.99Å; V57-I59 HydrophobicContact CG1-CD1 4.3Å; V57-I59 HydrophobicContact CG1-CG1 3.99Å; V57-V91 HydrophobicContact CB-CG2 4.32Å; V57-V91 HydrophobicContact CG2-CG2 3.99Å; V57-R93 PolarHBondContact N-O 3.35Å; V57-L94 HydrophobicContact CB-CD1 4.09Å; V57-L94 HydrophobicContact CG1-CD1 4.16Å; V57-L94 CarbonylContact O-C 3.59Å; V57-L94 WeakPolarHBondContact O-CA 3.14Å; V57-T95 PolarHBondContact O-N 3.12Å |
| 58 | E | 97.9 | Very high | 93.9 | Very high | 27 Ų | 27 | 46.3 Ų | 46.3 | 13% | 0.126 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 127.7 | 173.8 | -178.4 | 173.3 | 175.8 | 0 | 0 | 109.5 | R33 C34 V35 C36 R60 T95 | R33-E58 IonicContact CZ-OE2 3.67Å; R33-E58 IonicContact NH2-OE2 3.89Å; R33-E58 PolarHBondContact NH2-OE2 3.34Å; C34-E58 PolarHBondContact O-N 3.08Å; V35-E58 HydrophobicContact CG1-CB 4.41Å; V35-E58 HydrophobicContact CG1-CG 4.5Å; V35-E58 HydrophobicContact CG2-CB 4.31Å; C36-E58 PolarHBondContact N-O 3.44Å; E58-R60 HydrophobicContact CG-CG 4.44Å; E58-R60 IonicContact OE1-CZ 3.9Å; E58-R60 VanDerWaalsContact OE1-CZ 3.27Å; E58-R60 IonicContact OE1-NE 3.76Å; E58-R60 PolarHBondContact OE1-NE 2.8Å; E58-R60 IonicContact OE1-NH2 3.88Å; E58-R60 PolarHBondContact OE1-NH2 3.14Å; E58-T95 CarbonylContact C-O 3.6Å; E58-T95 WeakPolarHBondContact CA-O 3.46Å; E58-T95 HydrophobicContact CG-CG2 4.11Å |
| 59 | I | 96.9 | Very high | 93.7 | Very high | 39 Ų | 39 | 46.7 Ų | 46.7 | 20% | 0.2 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 116.9 | 179.6 | -56.7 | 177.8 | 0 | 0 | 0 | 108.4 | C36 F38 V57 V61 L94 T95 V96 G97 | C36-I59 HydrophobicContact CB-CG1 4.46Å; F38-I59 HydrophobicContact CD2-CG2 3.76Å; F38-I59 HydrophobicContact CE2-CG2 3.93Å; V57-I59 HydrophobicContact CG1-CD1 4.3Å; V57-I59 HydrophobicContact CG1-CG1 3.99Å; I59-V61 HydrophobicContact CG2-CG2 4.06Å; I59-L94 HydrophobicContact CD1-CD1 4.33Å; I59-T95 PolarHBondContact N-O 3.18Å; I59-V96 CarbonylContact O-C 3.47Å; I59-V96 WeakPolarHBondContact O-CA 3.33Å; I59-G97 PolarHBondContact O-N 3.1Å |
| 60 | R | 95.9 | Very high | 93.5 | Very high | 55 Ų | 55 | 42.2 Ų | 42.2 | 21% | 0.208 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 132.3 | 173.7 | -61.1 | -66.2 | -176.7 | 172.5 | -4.7 | 109.4 | C36 F38 E58 G97 E124 | C36-R60 PolarHBondContact O-N 2.88Å; F38-R60 PolarHBondContact N-O 3.27Å; E58-R60 HydrophobicContact CG-CG 4.44Å; E58-R60 IonicContact OE1-CZ 3.9Å; E58-R60 VanDerWaalsContact OE1-CZ 3.27Å; E58-R60 IonicContact OE1-NE 3.76Å; E58-R60 PolarHBondContact OE1-NE 2.8Å; E58-R60 IonicContact OE1-NH2 3.88Å; E58-R60 PolarHBondContact OE1-NH2 3.14Å; R60-G97 WeakPolarHBondContact CA-O 3.48Å; R60-E124 IonicContact CZ-OE2 3.89Å; R60-E124 VanDerWaalsContact CZ-OE2 3.26Å; R60-E124 IonicContact NH1-OE2 2.82Å; R60-E124 PolarHBondContact NH1-OE2 3.27Å; R60-E124 IonicContact NH2-OE2 3.73Å; R60-E124 PolarHBondContact NH2-OE2 2.88Å |
| 61 | V | 93.3 | Very high | 93.2 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.024 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 8.9 | -172.2 | -176.2 | 0 | 0 | 0 | 0 | 112.3 | W45 I59 G63 L64 L66 G97 A98 A99 | W45-V61 HydrophobicContact CH2-CG1 3.86Å; W45-V61 HydrophobicContact CH2-CG2 4.11Å; W45-V61 HydrophobicContact CZ3-CG2 4.37Å; I59-V61 HydrophobicContact CG2-CG2 4.06Å; V61-G63 PolarHBondContact O-N 3.44Å; V61-G63 VanDerWaalsContact O-N 3.17Å; V61-L64 HydrophobicContact CG1-CB 3.99Å; V61-L64 HydrophobicContact CG1-CD1 4.38Å; V61-L64 WeakPolarHBondContact O-CB 3.46Å; V61-L64 WeakPolarHBondContact O-CD1 3.38Å; V61-L64 VanDerWaalsContact O-CG 3.26Å; V61-L64 WeakPolarHBondContact O-CG 3.47Å; V61-L64 PolarHBondContact O-N 3.15Å; V61-L66 HydrophobicContact CG1-CD2 4Å; V61-G97 PolarHBondContact N-O 2.92Å; V61-G97 VanDerWaalsContact N-O 3.09Å; V61-A98 CarbonylContact C-O 3.15Å; V61-A98 WeakPolarHBondContact CA-O 3.5Å; V61-A98 WeakPolarHBondContact CB-O 3.35Å; V61-A98 PolarHBondContact N-O 3.26Å; V61-A99 HydrophobicContact CB-CB 3.79Å; V61-A99 HydrophobicContact CG1-CB 4.13Å; V61-A99 HydrophobicContact CG2-CB 4.21Å |
| 62 | G | 90.9 | Very high | 92.5 | Very high | 44 Ų | 44 | 52.6 Ų | 52.6 | 45% | 0.454 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 65.9 | 18.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | S39 L64 A98 | S39-G62 WeakPolarHBondContact OG-CA 3.26Å; S39-G62 PolarHBondContact OG-N 3.21Å; G62-L64 VanDerWaalsContact C-N 3.33Å; G62-A98 PolarHBondContact N-O 3Å; G62-A98 VanDerWaalsContact N-O 3.12Å |
| 63 | G | 90.1 | Very high | 92 | Very high | 51 Ų | 51 | 52 Ų | 52 | 53% | 0.526 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 80.9 | 9.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | V61 A98 | V61-G63 PolarHBondContact O-N 3.44Å; V61-G63 VanDerWaalsContact O-N 3.17Å; G63-A98 WeakPolarHBondContact CA-O 3.49Å; G63-A98 PolarHBondContact N-O 3.17Å |
| 64 | L | 92.8 | Very high | 91.3 | Very high | 51 Ų | 51 | 55.1 Ų | 55.1 | 27% | 0.267 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 148.3 | 179.5 | -61.4 | 167.2 | 0 | 0 | 0 | 111.6 | F38 E40 P43 V61 G62 Q100 | F38-L64 WeakPolarHBondContact O-CD1 3.37Å; E40-L64 WeakPolarHBondContact O-CD1 3.42Å; P43-L64 HydrophobicContact CG-CD1 4.24Å; V61-L64 HydrophobicContact CG1-CB 3.99Å; V61-L64 HydrophobicContact CG1-CD1 4.38Å; V61-L64 WeakPolarHBondContact O-CB 3.46Å; V61-L64 WeakPolarHBondContact O-CD1 3.38Å; V61-L64 VanDerWaalsContact O-CG 3.26Å; V61-L64 WeakPolarHBondContact O-CG 3.47Å; V61-L64 PolarHBondContact O-N 3.15Å; G62-L64 VanDerWaalsContact C-N 3.33Å; L64-Q100 PolarHBondContact O-N 3.17Å |
| 65 | S | 94.6 | Very high | 90.1 | Very high | 42 Ų | 42 | 56.6 Ų | 56.6 | 29% | 0.294 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 125.1 | 171.3 | -172.1 | 0 | 0 | 0 | 0 | 111 | E67 P68 Q100 | S65-E67 VanDerWaalsContact C-N 3.33Å; S65-P68 WeakPolarHBondContact O-CD 3.27Å; S65-Q100 VanDerWaalsContact CB-OE1 3.25Å; S65-Q100 PolarHBondContact OG-OE1 3.15Å |
| 66 | L | 93.6 | Very high | 88.8 | Confident | 27 Ų | 27 | 60.7 Ų | 60.7 | 14% | 0.141 | 34% | 0.339 | C | S | . | . | trans | -89.9 | 5.5 | 176.9 | -60.2 | -173.8 | 0 | 0 | 0 | 113.1 | W45 V61 P68 F69 Q100 V101 L105 | W45-L66 HydrophobicContact CH2-CD2 4.09Å; W45-L66 HydrophobicContact CZ2-CD2 4.13Å; V61-L66 HydrophobicContact CG1-CD2 4Å; L66-P68 VanDerWaalsContact C-N 3.31Å; L66-F69 HydrophobicContact CB-CD2 4.14Å; L66-F69 HydrophobicContact CD2-CD2 3.87Å; L66-F69 HydrophobicContact CD2-CE2 3.72Å; L66-F69 WeakPolarHBondContact O-CB 3.16Å; L66-F69 PolarHBondContact O-N 2.82Å; L66-Q100 PolarHBondContact N-O 2.99Å; L66-V101 HydrophobicContact CD1-CG1 4.49Å; L66-V101 HydrophobicContact CD1-CG2 4.09Å; L66-L105 HydrophobicContact CB-CD1 4.12Å; L66-L105 VanDerWaalsContact O-CD1 3.29Å; L66-L105 WeakPolarHBondContact O-CD1 3.5Å | ||
| 67 | E | 92.1 | Very high | 87.9 | Confident | 95 Ų | 95 | 60.8 Ų | 60.8 | 44% | 0.444 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -50.8 | -40.2 | 173.8 | -74.9 | -177.4 | 176 | 0 | 0 | 114.5 | S65 F69 L70 P102 | S65-E67 VanDerWaalsContact C-N 3.33Å; E67-F69 PolarHBondContact O-N 2.88Å; E67-L70 WeakPolarHBondContact O-CB 3.37Å; E67-L70 PolarHBondContact O-N 3.19Å; E67-P102 HydrophobicContact CB-CG 4.35Å; E67-P102 HydrophobicContact CG-CG 3.71Å |
| 68 | P | 90.9 | Very high | 87 | Confident | 72 Ų | 72 | 63.3 Ų | 63.3 | 47% | 0.468 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -64 | -7.5 | 177.5 | -22.7 | 35 | 0 | 0 | 0 | 114.8 | S65 L66 T71 R72 | S65-P68 WeakPolarHBondContact O-CD 3.27Å; L66-P68 VanDerWaalsContact C-N 3.31Å; P68-T71 PolarHBondContact O-OG1 2.94Å; P68-T71 VanDerWaalsContact O-OG1 3.13Å; P68-R72 PolarHBondContact O-NE 2.58Å; P68-R72 VanDerWaalsContact O-NE 3.17Å |
| 69 | F | 88.3 | Confident | 86.2 | Confident | 44 Ų | 44 | 62.5 Ų | 62.5 | 19% | 0.193 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -81.9 | -19.5 | 172.4 | -73.6 | -86.4 | 0 | 0 | 0 | 113 | W45 L66 E67 T71 R72 V73 L105 | W45-F69 AromaticContact CE2-CZ 3.63Å; W45-F69 HydrophobicContact CZ2-CE2 4.03Å; W45-F69 AromaticContact CZ2-CZ 3.89Å; W45-F69 HydrophobicContact CZ2-CZ 3.89Å; W45-F69 AromaticContact NE1-CZ 3.38Å; L66-F69 HydrophobicContact CB-CD2 4.14Å; L66-F69 HydrophobicContact CD2-CD2 3.87Å; L66-F69 HydrophobicContact CD2-CE2 3.72Å; L66-F69 WeakPolarHBondContact O-CB 3.16Å; L66-F69 PolarHBondContact O-N 2.82Å; E67-F69 PolarHBondContact O-N 2.88Å; F69-T71 PolarHBondContact O-N 2.76Å; F69-R72 PolarHBondContact O-N 2.04Å; F69-V73 PolarHBondContact O-N 2.84Å; F69-L105 HydrophobicContact CB-CD1 3.67Å; F69-L105 HydrophobicContact CB-CD2 4.48Å |
| 70 | L | 87 | Confident | 85.6 | Confident | 67 Ų | 67 | 67.2 Ų | 67.2 | 35% | 0.351 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -25.2 | 177.5 | -68.4 | 172.7 | 0 | 0 | 0 | 113.1 | E67 P102 Q104 L105 | E67-L70 WeakPolarHBondContact O-CB 3.37Å; E67-L70 PolarHBondContact O-N 3.19Å; L70-P102 HydrophobicContact CD1-CB 3.91Å; L70-P102 HydrophobicContact CD1-CG 3.91Å; L70-P102 HydrophobicContact CD2-CB 4.15Å; L70-P102 HydrophobicContact CG-CB 4.24Å; L70-P102 HydrophobicContact CG-CG 4.16Å; L70-Q104 HydrophobicContact CD2-CB 4.03Å; L70-L105 HydrophobicContact CD2-CD1 4.37Å; L70-L105 HydrophobicContact CD2-CD2 3.88Å; L70-L105 HydrophobicContact CD2-CG 3.75Å; L70-L105 HydrophobicContact CG-CD1 4.47Å; L70-L105 HydrophobicContact CG-CG 4.36Å |
| 71 | T | 85.8 | Confident | 85 | Confident | 127 Ų | 127 | 70.8 Ų | 70.8 | 78% | 0.779 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -15.7 | 175.7 | 58.2 | 0 | 0 | 0 | 0 | 113.1 | P68 F69 | P68-T71 PolarHBondContact O-OG1 2.94Å; P68-T71 VanDerWaalsContact O-OG1 3.13Å; F69-T71 PolarHBondContact O-N 2.76Å |
| 72 | R | 80.1 | Confident | 84.6 | Confident | 164 Ų | 164 | 76.7 Ų | 76.7 | 62% | 0.619 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | -28.2 | -173.7 | -69.6 | -176.3 | -85.2 | 178.4 | -2.3 | 113 | P68 F69 | P68-R72 PolarHBondContact O-NE 2.58Å; P68-R72 VanDerWaalsContact O-NE 3.17Å; F69-R72 PolarHBondContact O-N 2.04Å |
| 73 | V | 79.2 | Confident | 84.4 | Confident | 71 Ų | 71 | 75.3 Ų | 75.3 | 43% | 0.43 | 40% | 0.398 | S | S | . | . | trans | -116.4 | 125.3 | -177.9 | -178.4 | 0 | 0 | 0 | 0 | 108 | F69 P75 L105 | F69-V73 PolarHBondContact O-N 2.84Å; V73-P75 WeakPolarHBondContact O-CD 3.49Å; V73-L105 HydrophobicContact CB-CD2 4.37Å | ||
| 74 | D | 79.2 | Confident | 84.5 | Confident | 100 Ų | 100 | 79.3 Ų | 79.3 | 54% | 0.535 | 41% | 0.407 | S | S | . | . | trans | -81.6 | 106.7 | 166.4 | 177.7 | 2.6 | 0 | 0 | 0 | 108.6 | D76 A77 | D74-D76 PolarHBondContact O-N 3.42Å; D74-D76 WeakPolarHBondContact OD1-CB 3.29Å; D74-D76 PolarHBondContact OD1-N 3.26Å; D74-A77 HydrophobicContact CB-CB 4.02Å; D74-A77 VanDerWaalsContact O-CB 3.31Å; D74-A77 WeakPolarHBondContact O-CB 3.4Å; D74-A77 PolarHBondContact O-N 3.09Å; D74-A77 PolarHBondContact OD1-N 3.24Å | ||
| 75 | P | 69.9 | Low | 84.4 | Confident | 30 Ų | 30 | 81.4 Ų | 81.4 | 20% | 0.195 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -14.7 | -179.2 | 30.6 | -35.2 | 0 | 0 | 0 | 113 | V73 Q104 | V73-P75 WeakPolarHBondContact O-CD 3.49Å; P75-Q104 HydrophobicContact CB-CB 4.15Å; P75-Q104 WeakPolarHBondContact CB-O 3.09Å; P75-Q104 HydrophobicContact CG-CB 4.05Å |
| 76 | D | 71.3 | Confident | 84.3 | Confident | 112 Ų | 112 | 80.1 Ų | 80.1 | 60% | 0.599 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -10.5 | 179 | -68.4 | -43.8 | 0 | 0 | 0 | 113.1 | D74 R111 | D74-D76 PolarHBondContact O-N 3.42Å; D74-D76 WeakPolarHBondContact OD1-CB 3.29Å; D74-D76 PolarHBondContact OD1-N 3.26Å; D76-R111 IonicContact OD1-NH1 3.27Å |
| 77 | A | 78 | Confident | 84.3 | Confident | 40 Ų | 40 | 84.3 Ų | 84.3 | 33% | 0.331 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -52.1 | 143 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D74 P79 | D74-A77 HydrophobicContact CB-CB 4.02Å; D74-A77 VanDerWaalsContact O-CB 3.31Å; D74-A77 WeakPolarHBondContact O-CB 3.4Å; D74-A77 PolarHBondContact O-N 3.09Å; D74-A77 PolarHBondContact OD1-N 3.24Å; A77-P79 WeakPolarHBondContact O-CD 3.24Å |
| 78 | D | 79.9 | Confident | 84.4 | Confident | 68 Ų | 68 | 83.4 Ų | 83.4 | 36% | 0.364 | 44% | 0.438 | S | S | . | . | trans | -66.9 | 113.7 | -178.2 | -172 | -8 | 0 | 0 | 0 | 110.9 | R80 | D78-R80 VanDerWaalsContact CG-NE 3.33Å; D78-R80 PolarHBondContact O-N 2.87Å; D78-R80 VanDerWaalsContact OD1-CB 3.27Å; D78-R80 WeakPolarHBondContact OD1-CB 3.27Å; D78-R80 VanDerWaalsContact OD1-CG 3.24Å; D78-R80 WeakPolarHBondContact OD1-CG 3.48Å; D78-R80 IonicContact OD1-CZ 2.79Å; D78-R80 PolarHBondContact OD1-N 3.49Å; D78-R80 IonicContact OD1-NE 3.24Å; D78-R80 PolarHBondContact OD1-NE 3.09Å; D78-R80 VanDerWaalsContact OD1-NE 3.13Å; D78-R80 IonicContact OD1-NH2 3.84Å; D78-R80 IonicContact OD2-CZ 3.44Å; D78-R80 IonicContact OD2-NE 3.13Å; D78-R80 PolarHBondContact OD2-NE 2.91Å; D78-R80 IonicContact OD2-NH2 3.82Å; D78-R80 PolarHBondContact OD2-NH2 3.17Å | ||
| 79 | P | 80.8 | Confident | 84.5 | Confident | 10 Ų | 10 | 82.2 Ų | 82.2 | 7% | 0.065 | 43% | 0.428 | C | S | . | . | G | 310 helix | trans | -71.6 | -8.7 | -178.3 | 31.1 | -37.2 | 0 | 0 | 0 | 113.1 | A77 Q81 Y82 A83 V112 Y115 | A77-P79 WeakPolarHBondContact O-CD 3.24Å; P79-Q81 PolarHBondContact O-N 3.13Å; P79-Q81 VanDerWaalsContact O-N 3.15Å; P79-Y82 PolarHBondContact O-N 3.13Å; P79-A83 PolarHBondContact O-N 2.79Å; P79-V112 HydrophobicContact CB-CG2 3.94Å; P79-Y115 HydrophobicContact CB-CE2 3.99Å; P79-Y115 HydrophobicContact CG-CE2 3.68Å |
| 80 | R | 83.9 | Confident | 84.8 | Confident | 137 Ų | 137 | 86.6 Ų | 86.6 | 52% | 0.517 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | -56.5 | -31.2 | -177.2 | -77 | -177.5 | -79.1 | -127.6 | -0.6 | 113.4 | D78 Y82 A83 Y115 | D78-R80 VanDerWaalsContact CG-NE 3.33Å; D78-R80 PolarHBondContact O-N 2.87Å; D78-R80 VanDerWaalsContact OD1-CB 3.27Å; D78-R80 WeakPolarHBondContact OD1-CB 3.27Å; D78-R80 VanDerWaalsContact OD1-CG 3.24Å; D78-R80 WeakPolarHBondContact OD1-CG 3.48Å; D78-R80 IonicContact OD1-CZ 2.79Å; D78-R80 PolarHBondContact OD1-N 3.49Å; D78-R80 IonicContact OD1-NE 3.24Å; D78-R80 PolarHBondContact OD1-NE 3.09Å; D78-R80 VanDerWaalsContact OD1-NE 3.13Å; D78-R80 IonicContact OD1-NH2 3.84Å; D78-R80 IonicContact OD2-CZ 3.44Å; D78-R80 IonicContact OD2-NE 3.13Å; D78-R80 PolarHBondContact OD2-NE 2.91Å; D78-R80 IonicContact OD2-NH2 3.82Å; D78-R80 PolarHBondContact OD2-NH2 3.17Å; R80-Y82 PolarHBondContact O-N 2.75Å; R80-A83 VanDerWaalsContact O-CB 3.29Å; R80-A83 WeakPolarHBondContact O-CB 3.23Å; R80-A83 PolarHBondContact O-N 2.96Å; R80-A83 VanDerWaalsContact O-N 3.15Å; R80-Y115 WeakPolarHBondContact CG-OH 3.46Å |
| 81 | Q | 84.5 | Confident | 85.3 | Confident | 130 Ų | 130 | 84 Ų | 84 | 61% | 0.607 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -61.7 | -25.1 | 177.2 | 67.9 | -176.6 | -21.7 | 0 | 0 | 113.7 | P79 | P79-Q81 PolarHBondContact O-N 3.13Å; P79-Q81 VanDerWaalsContact O-N 3.15Å |
| 82 | Y | 83.8 | Confident | 85.8 | Confident | 129 Ų | 129 | 80.8 Ų | 80.8 | 51% | 0.506 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -104.3 | 1.2 | 179.2 | -56.1 | -62.1 | 0 | 0 | 0 | 113 | P79 R80 D84 T85 V86 | P79-Y82 PolarHBondContact O-N 3.13Å; R80-Y82 PolarHBondContact O-N 2.75Å; Y82-D84 PolarHBondContact O-N 2.87Å; Y82-T85 PolarHBondContact O-N 3.19Å; Y82-V86 WeakPolarHBondContact O-CB 3.24Å; Y82-V86 VanDerWaalsContact O-CG2 3.26Å; Y82-V86 WeakPolarHBondContact O-CG2 3.24Å; Y82-V86 PolarHBondContact O-N 3.33Å |
| 83 | A | 87.8 | Confident | 86.7 | Confident | 15 Ų | 15 | 77.8 Ų | 77.8 | 12% | 0.124 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.2 | -45 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P79 R80 V86 K87 Y115 | P79-A83 PolarHBondContact O-N 2.79Å; R80-A83 VanDerWaalsContact O-CB 3.29Å; R80-A83 WeakPolarHBondContact O-CB 3.23Å; R80-A83 PolarHBondContact O-N 2.96Å; R80-A83 VanDerWaalsContact O-N 3.15Å; A83-V86 PolarHBondContact O-N 2.62Å; A83-K87 WeakPolarHBondContact O-CB 3.37Å; A83-K87 PolarHBondContact O-N 2.85Å; A83-Y115 HydrophobicContact CB-CD1 3.51Å; A83-Y115 HydrophobicContact CB-CE1 3.92Å; A83-Y115 HydrophobicContact CB-CG 3.86Å |
| 84 | D | 91.2 | Very high | 87.6 | Confident | 134 Ų | 134 | 75.4 Ų | 75.4 | 72% | 0.717 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -66.8 | -41.3 | -179.4 | -72.4 | -31.6 | 0 | 0 | 0 | 112 | Y82 K87 A88 | Y82-D84 PolarHBondContact O-N 2.87Å; D84-K87 PolarHBondContact O-N 3.15Å; D84-A88 WeakPolarHBondContact O-CB 3.5Å; D84-A88 PolarHBondContact O-N 2.99Å; D84-A88 VanDerWaalsContact O-N 3.08Å |
| 85 | T | 91.3 | Very high | 88.6 | Confident | 95 Ų | 95 | 71.7 Ų | 71.7 | 58% | 0.583 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -61.2 | -49.1 | 175.2 | -50.6 | 0 | 0 | 0 | 0 | 110.9 | Y82 K87 A88 L89 | Y82-T85 PolarHBondContact O-N 3.19Å; T85-K87 VanDerWaalsContact C-N 3.34Å; T85-K87 PolarHBondContact O-N 2.81Å; T85-A88 WeakPolarHBondContact O-CB 3.45Å; T85-A88 PolarHBondContact O-N 2.81Å; T85-L89 PolarHBondContact O-N 2.84Å |
| 86 | V | 92 | Very high | 89.9 | Confident | 16 Ų | 16 | 71.9 Ų | 71.9 | 10% | 0.097 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.6 | -34.5 | -178 | 174.6 | 0 | 0 | 0 | 0 | 111.6 | Y82 A83 A88 L89 V112 | Y82-V86 WeakPolarHBondContact O-CB 3.24Å; Y82-V86 VanDerWaalsContact O-CG2 3.26Å; Y82-V86 WeakPolarHBondContact O-CG2 3.24Å; Y82-V86 PolarHBondContact O-N 3.33Å; A83-V86 PolarHBondContact O-N 2.62Å; V86-A88 VanDerWaalsContact C-N 3.28Å; V86-A88 PolarHBondContact O-N 3.44Å; V86-L89 HydrophobicContact CG1-CD1 4.39Å; V86-L89 WeakPolarHBondContact O-CB 3.39Å; V86-L89 WeakPolarHBondContact O-CG 3.25Å; V86-L89 PolarHBondContact O-N 3.09Å; V86-V112 HydrophobicContact CG1-CG1 4.33Å; V86-V112 WeakPolarHBondContact CG1-O 3.32Å; V86-V112 HydrophobicContact CG2-CG1 3.68Å |
| 87 | K | 93.1 | Very high | 91.1 | Very high | 115 Ų | 115 | 66.5 Ų | 66.5 | 50% | 0.5 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69.3 | -26.4 | 175.8 | -175.1 | 178.1 | 179.6 | -175.7 | 0 | 112.9 | A83 D84 T85 L89 | A83-K87 WeakPolarHBondContact O-CB 3.37Å; A83-K87 PolarHBondContact O-N 2.85Å; D84-K87 PolarHBondContact O-N 3.15Å; T85-K87 VanDerWaalsContact C-N 3.34Å; T85-K87 PolarHBondContact O-N 2.81Å; K87-L89 VanDerWaalsContact C-N 3.31Å |
| 88 | A | 93.8 | Very high | 92 | Very high | 76 Ų | 76 | 65.8 Ų | 65.8 | 63% | 0.628 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -74.9 | -20.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D84 T85 V86 | D84-A88 WeakPolarHBondContact O-CB 3.5Å; D84-A88 PolarHBondContact O-N 2.99Å; D84-A88 VanDerWaalsContact O-N 3.08Å; T85-A88 WeakPolarHBondContact O-CB 3.45Å; T85-A88 PolarHBondContact O-N 2.81Å; V86-A88 VanDerWaalsContact C-N 3.28Å; V86-A88 PolarHBondContact O-N 3.44Å |
| 89 | L | 94.3 | Very high | 92.8 | Very high | 46 Ų | 46 | 62.8 Ų | 62.8 | 24% | 0.241 | 31% | 0.308 | C | S | . | . | trans | -59.6 | 138.7 | 179.5 | -59.9 | 177.1 | 0 | 0 | 0 | 112.3 | V52 T85 V86 K87 V91 R92 | V52-L89 HydrophobicContact CB-CD2 4.5Å; V52-L89 HydrophobicContact CG2-CD2 3.5Å; V52-L89 VanDerWaalsContact CG2-CD2 3.5Å; T85-L89 PolarHBondContact O-N 2.84Å; V86-L89 HydrophobicContact CG1-CD1 4.39Å; V86-L89 WeakPolarHBondContact O-CB 3.39Å; V86-L89 WeakPolarHBondContact O-CG 3.25Å; V86-L89 PolarHBondContact O-N 3.09Å; K87-L89 VanDerWaalsContact C-N 3.31Å; L89-V91 VanDerWaalsContact C-N 3.31Å; L89-V91 HydrophobicContact CB-CG1 4.02Å; L89-R92 PolarHBondContact O-NH1 2.99Å | ||
| 90 | R | 94.7 | Very high | 93.6 | Very high | 137 Ų | 137 | 64.6 Ų | 64.6 | 52% | 0.517 | 32% | 0.316 | S | S | . | . | trans | -82.3 | -10.2 | 177.7 | -69.5 | -173.4 | 66.3 | -166.3 | 1.9 | 113.5 | S53 A54 V55 R92 | S53-R90 WeakPolarHBondContact O-CD 3.42Å; A54-R90 CarbonylContact O-C 3.6Å; A54-R90 VanDerWaalsContact O-C 3.29Å; V55-R90 HydrophobicContact CG2-CB 4.5Å; R90-R92 PolarHBondContact O-N 3.42Å; R90-R92 PolarHBondContact O-NH1 2.77Å | ||
| 91 | V | 96.4 | Very high | 94.2 | Very high | 13 Ų | 13 | 58.6 Ų | 58.6 | 8% | 0.079 | 29% | 0.294 | C | S | . | . | trans | -53.2 | 128.8 | -179.2 | 69.9 | 0 | 0 | 0 | 0 | 111.7 | A54 V55 V57 L89 R93 L94 L118 | A54-V91 WeakPolarHBondContact O-CA 3.31Å; A54-V91 PolarHBondContact O-N 2.87Å; A54-V91 VanDerWaalsContact O-N 3.14Å; V55-V91 WeakPolarHBondContact O-CA 3.39Å; V57-V91 HydrophobicContact CB-CG2 4.32Å; V57-V91 HydrophobicContact CG2-CG2 3.99Å; L89-V91 VanDerWaalsContact C-N 3.31Å; L89-V91 HydrophobicContact CB-CG1 4.02Å; V91-R93 WeakPolarHBondContact CG2-O 3.33Å; V91-L94 HydrophobicContact CG2-CB 4.47Å; V91-L118 HydrophobicContact CG2-CD1 4Å | ||
| 92 | R | 97.8 | Very high | 94.7 | Very high | 59 Ų | 59 | 52.5 Ų | 52.5 | 22% | 0.223 | 27% | 0.266 | C | S | . | . | trans | -123.2 | -26.4 | 173.4 | -60.8 | -58.9 | 176.8 | -92.8 | -5.7 | 111.4 | V55 L89 R90 R117 L118 Q119 E120 | V55-R92 HydrophobicContact CG1-CB 3.99Å; V55-R92 HydrophobicContact CG1-CG 3.96Å; V55-R92 PolarHBondContact O-N 3.21Å; L89-R92 PolarHBondContact O-NH1 2.99Å; R90-R92 PolarHBondContact O-N 3.42Å; R90-R92 PolarHBondContact O-NH1 2.77Å; R92-R117 WeakPolarHBondContact CD-O 3.4Å; R92-L118 WeakPolarHBondContact O-CD1 3.2Å; R92-Q119 PolarHBondContact O-N 3.46Å; R92-E120 PolarHBondContact O-N 2.85Å | ||
| 93 | R | 98.4 | Very high | 95.2 | Very high | 101 Ų | 101 | 46.3 Ų | 46.3 | 38% | 0.381 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 124.3 | 179 | -58.4 | -177.4 | 173.2 | 162.9 | -1.4 | 109.3 | V55 E56 V57 V91 E120 | V55-R93 PolarHBondContact O-N 2.87Å; V55-R93 VanDerWaalsContact O-N 3.1Å; E56-R93 WeakPolarHBondContact CA-O 3.09Å; E56-R93 HydrophobicContact CB-CB 4.28Å; E56-R93 HydrophobicContact CG-CB 4.03Å; E56-R93 IonicContact OE2-NH1 3.26Å; V57-R93 PolarHBondContact N-O 3.35Å; V91-R93 WeakPolarHBondContact CG2-O 3.33Å; R93-E120 WeakPolarHBondContact CA-O 3.37Å; R93-E120 HydrophobicContact CB-CB 4.47Å; R93-E120 HydrophobicContact CG-CB 4.06Å; R93-E120 HydrophobicContact CG-CG 4.17Å; R93-E120 IonicContact CZ-OE1 2.74Å; R93-E120 IonicContact NE-OE1 3.69Å; R93-E120 PolarHBondContact NE-OE1 3.38Å; R93-E120 IonicContact NE-OE2 2.75Å; R93-E120 IonicContact NH2-OE1 2.82Å; R93-E120 PolarHBondContact NH2-OE1 3.42Å |
| 94 | L | 98.5 | Very high | 95.4 | Very high | 20 Ų | 20 | 48.8 Ų | 48.8 | 11% | 0.105 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 126 | 178.5 | 177.8 | 62.9 | 0 | 0 | 0 | 109.1 | V57 I59 V91 V96 L113 L118 E120 L121 T122 | V57-L94 HydrophobicContact CB-CD1 4.09Å; V57-L94 HydrophobicContact CG1-CD1 4.16Å; V57-L94 CarbonylContact O-C 3.59Å; V57-L94 WeakPolarHBondContact O-CA 3.14Å; I59-L94 HydrophobicContact CD1-CD1 4.33Å; V91-L94 HydrophobicContact CG2-CB 4.47Å; L94-V96 HydrophobicContact CD1-CG2 4.1Å; L94-V96 HydrophobicContact CD2-CG2 4.18Å; L94-V96 HydrophobicContact CG-CG2 3.94Å; L94-L113 HydrophobicContact CD2-CD1 3.77Å; L94-L113 HydrophobicContact CD2-CD2 4.33Å; L94-L118 HydrophobicContact CB-CD1 3.58Å; L94-L118 HydrophobicContact CB-CD2 4.2Å; L94-L118 HydrophobicContact CD2-CD2 4.41Å; L94-E120 PolarHBondContact N-O 3.39Å; L94-L121 HydrophobicContact CB-CD1 4.23Å; L94-L121 HydrophobicContact CD2-CD1 4.08Å; L94-L121 HydrophobicContact CG-CD1 4.17Å; L94-L121 CarbonylContact O-C 3.51Å; L94-L121 WeakPolarHBondContact O-CA 2.81Å; L94-T122 PolarHBondContact O-N 2.98Å |
| 95 | T | 98.5 | Very high | 95.5 | Very high | 22 Ų | 22 | 43.7 Ų | 43.7 | 14% | 0.135 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 127 | 170.1 | -60.7 | 0 | 0 | 0 | 0 | 108.5 | V57 E58 I59 T122 | V57-T95 PolarHBondContact O-N 3.12Å; E58-T95 CarbonylContact C-O 3.6Å; E58-T95 WeakPolarHBondContact CA-O 3.46Å; E58-T95 HydrophobicContact CG-CG2 4.11Å; I59-T95 PolarHBondContact N-O 3.18Å; T95-T122 CarbonylContact C-O 3.54Å; T95-T122 WeakPolarHBondContact CA-O 3.41Å; T95-T122 HydrophobicContact CG2-CG2 4.07Å |
| 96 | V | 98 | Very high | 95.7 | Very high | 34 Ų | 34 | 39.9 Ų | 39.9 | 21% | 0.206 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 130.4 | 174.1 | -176.5 | 0 | 0 | 0 | 0 | 108.1 | I59 L94 T122 L123 E124 | I59-V96 CarbonylContact O-C 3.47Å; I59-V96 WeakPolarHBondContact O-CA 3.33Å; L94-V96 HydrophobicContact CD1-CG2 4.1Å; L94-V96 HydrophobicContact CD2-CG2 4.18Å; L94-V96 HydrophobicContact CG-CG2 3.94Å; V96-T122 PolarHBondContact N-O 2.9Å; V96-L123 HydrophobicContact CB-CD2 4.22Å; V96-L123 WeakPolarHBondContact O-CA 3.37Å; V96-E124 PolarHBondContact O-N 3.44Å |
| 97 | G | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 175 | -179.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | I59 R60 V61 E124 | I59-G97 PolarHBondContact O-N 3.1Å; R60-G97 WeakPolarHBondContact CA-O 3.48Å; V61-G97 PolarHBondContact N-O 2.92Å; V61-G97 VanDerWaalsContact N-O 3.09Å; G97-E124 CarbonylContact C-O 3.29Å; G97-E124 WeakPolarHBondContact CA-O 3.35Å |
| 98 | A | 96.6 | Very high | 95.5 | Very high | 25 Ų | 25 | 34.6 Ų | 34.6 | 21% | 0.207 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 52.7 | 64.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V61 G62 G63 E124 D125 | V61-A98 CarbonylContact C-O 3.15Å; V61-A98 WeakPolarHBondContact CA-O 3.5Å; V61-A98 WeakPolarHBondContact CB-O 3.35Å; V61-A98 PolarHBondContact N-O 3.26Å; G62-A98 PolarHBondContact N-O 3Å; G62-A98 VanDerWaalsContact N-O 3.12Å; G63-A98 WeakPolarHBondContact CA-O 3.49Å; G63-A98 PolarHBondContact N-O 3.17Å; A98-E124 PolarHBondContact N-O 3.13Å; A98-D125 WeakPolarHBondContact CA-O 3.44Å; A98-D125 PolarHBondContact N-O 2.85Å; A98-D125 VanDerWaalsContact N-O 3.17Å |
| 99 | A | 96.4 | Very high | 95.5 | Very high | 5 Ų | 5 | 33.3 Ų | 33.3 | 4% | 0.041 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 150.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V61 V101 D125 L126 E127 | V61-A99 HydrophobicContact CB-CB 3.79Å; V61-A99 HydrophobicContact CG1-CB 4.13Å; V61-A99 HydrophobicContact CG2-CB 4.21Å; A99-V101 HydrophobicContact CB-CG2 3.73Å; A99-D125 PolarHBondContact N-O 3.17Å; A99-L126 HydrophobicContact CB-CD2 3.71Å; A99-L126 WeakPolarHBondContact O-CA 3.44Å; A99-E127 PolarHBondContact O-N 3.37Å |
| 100 | Q | 97.1 | Very high | 95.4 | Very high | 47 Ų | 47 | 31.4 Ų | 31.4 | 22% | 0.22 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 115.8 | 162.6 | -176.6 | -172.8 | 44.4 | 0 | 0 | 108.4 | L64 S65 L66 E127 T129 | L64-Q100 PolarHBondContact O-N 3.17Å; S65-Q100 VanDerWaalsContact CB-OE1 3.25Å; S65-Q100 PolarHBondContact OG-OE1 3.15Å; L66-Q100 PolarHBondContact N-O 2.99Å; Q100-E127 CarbonylContact C-O 3.58Å; Q100-E127 WeakPolarHBondContact CA-O 3.25Å; Q100-E127 HydrophobicContact CB-CB 4.33Å; Q100-E127 HydrophobicContact CG-CB 4.12Å; Q100-E127 HydrophobicContact CG-CG 4.2Å; Q100-E127 PolarHBondContact NE2-OE1 3Å; Q100-T129 HydrophobicContact CG-CG2 3.58Å |
| 101 | V | 96.7 | Very high | 95.2 | Very high | 11 Ų | 11 | 26.7 Ų | 26.7 | 7% | 0.067 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 117.6 | -168.1 | -170.2 | 0 | 0 | 0 | 0 | 110.3 | L66 A99 A103 L105 L106 L126 E127 I128 T129 | L66-V101 HydrophobicContact CD1-CG1 4.49Å; L66-V101 HydrophobicContact CD1-CG2 4.09Å; A99-V101 HydrophobicContact CB-CG2 3.73Å; V101-A103 PolarHBondContact O-N 3.12Å; V101-L105 HydrophobicContact CG1-CB 4.37Å; V101-L106 HydrophobicContact CG1-CB 4.2Å; V101-L126 HydrophobicContact CG2-CD2 4.25Å; V101-E127 PolarHBondContact N-O 2.99Å; V101-I128 HydrophobicContact CB-CD1 3.89Å; V101-I128 HydrophobicContact CG2-CD1 4.46Å; V101-I128 VanDerWaalsContact O-CA 3.31Å; V101-I128 WeakPolarHBondContact O-CA 3.36Å; V101-T129 PolarHBondContact O-N 3.13Å |
| 102 | P | 95.6 | Very high | 95 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.013 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 134.7 | 168.2 | -23.7 | 32.1 | 0 | 0 | 0 | 111.9 | E67 L70 Q104 L105 L106 T129 | E67-P102 HydrophobicContact CB-CG 4.35Å; E67-P102 HydrophobicContact CG-CG 3.71Å; L70-P102 HydrophobicContact CD1-CB 3.91Å; L70-P102 HydrophobicContact CD1-CG 3.91Å; L70-P102 HydrophobicContact CD2-CB 4.15Å; L70-P102 HydrophobicContact CG-CB 4.24Å; L70-P102 HydrophobicContact CG-CG 4.16Å; P102-Q104 PolarHBondContact O-N 3.19Å; P102-Q104 VanDerWaalsContact O-N 3.09Å; P102-L105 HydrophobicContact CB-CD1 4.5Å; P102-L105 HydrophobicContact CB-CG 4.32Å; P102-L105 HydrophobicContact CG-CD1 4.08Å; P102-L105 HydrophobicContact CG-CG 4.43Å; P102-L105 PolarHBondContact O-N 3.19Å; P102-L106 PolarHBondContact O-N 2.79Å; P102-L106 VanDerWaalsContact O-N 3.13Å; P102-T129 WeakPolarHBondContact CA-OG1 3.26Å |
| 103 | A | 94.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -54.5 | -33 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V101 L106 V107 I128 T129 M132 | V101-A103 PolarHBondContact O-N 3.12Å; A103-L106 PolarHBondContact O-N 3.1Å; A103-V107 WeakPolarHBondContact O-CB 3.39Å; A103-V107 WeakPolarHBondContact O-CG2 3.18Å; A103-V107 PolarHBondContact O-N 2.74Å; A103-I128 HydrophobicContact CB-CG2 4.03Å; A103-T129 WeakPolarHBondContact CB-O 3.37Å; A103-T129 PolarHBondContact N-O 3.48Å; A103-M132 HydrophobicContact CB-CG 3.96Å |
| 104 | Q | 91.9 | Very high | 94.5 | Very high | 67 Ų | 67 | 23.2 Ų | 23.2 | 31% | 0.313 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -64.5 | -40.4 | 176.5 | -60.4 | 83.2 | -7.9 | 0 | 0 | 112.1 | L70 P75 P102 G108 | L70-Q104 HydrophobicContact CD2-CB 4.03Å; P75-Q104 HydrophobicContact CB-CB 4.15Å; P75-Q104 WeakPolarHBondContact CB-O 3.09Å; P75-Q104 HydrophobicContact CG-CB 4.05Å; P102-Q104 PolarHBondContact O-N 3.19Å; P102-Q104 VanDerWaalsContact O-N 3.09Å; Q104-G108 PolarHBondContact O-N 3.06Å |
| 105 | L | 93.4 | Very high | 94.2 | Very high | 26 Ų | 26 | 26 Ų | 26 | 14% | 0.136 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -71.3 | -40.5 | 177.3 | -65.5 | -177 | 0 | 0 | 0 | 111.3 | L66 F69 L70 V73 V101 P102 V107 G108 A109 | L66-L105 HydrophobicContact CB-CD1 4.12Å; L66-L105 VanDerWaalsContact O-CD1 3.29Å; L66-L105 WeakPolarHBondContact O-CD1 3.5Å; F69-L105 HydrophobicContact CB-CD1 3.67Å; F69-L105 HydrophobicContact CB-CD2 4.48Å; L70-L105 HydrophobicContact CD2-CD1 4.37Å; L70-L105 HydrophobicContact CD2-CD2 3.88Å; L70-L105 HydrophobicContact CD2-CG 3.75Å; L70-L105 HydrophobicContact CG-CD1 4.47Å; L70-L105 HydrophobicContact CG-CG 4.36Å; V73-L105 HydrophobicContact CB-CD2 4.37Å; V101-L105 HydrophobicContact CG1-CB 4.37Å; P102-L105 HydrophobicContact CB-CD1 4.5Å; P102-L105 HydrophobicContact CB-CG 4.32Å; P102-L105 HydrophobicContact CG-CD1 4.08Å; P102-L105 HydrophobicContact CG-CG 4.43Å; P102-L105 PolarHBondContact O-N 3.19Å; L105-V107 VanDerWaalsContact C-N 3.33Å; L105-V107 PolarHBondContact O-N 2.82Å; L105-G108 PolarHBondContact O-N 3Å; L105-A109 WeakPolarHBondContact O-CB 3.28Å; L105-A109 PolarHBondContact O-N 3.02Å |
| 106 | L | 94.5 | Very high | 94 | Very high | 16 Ų | 16 | 25.9 Ų | 25.9 | 8% | 0.084 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58 | -48.5 | 174.1 | 176.8 | 62.5 | 0 | 0 | 0 | 110.6 | V101 P102 A103 A109 L110 L123 I128 W154 | V101-L106 HydrophobicContact CG1-CB 4.2Å; P102-L106 PolarHBondContact O-N 2.79Å; P102-L106 VanDerWaalsContact O-N 3.13Å; A103-L106 PolarHBondContact O-N 3.1Å; L106-A109 PolarHBondContact O-N 3.4Å; L106-L110 HydrophobicContact CD1-CG 4.43Å; L106-L110 HydrophobicContact CG-CD1 4.28Å; L106-L110 VanDerWaalsContact O-CG 3.32Å; L106-L110 WeakPolarHBondContact O-CG 3.36Å; L106-L110 PolarHBondContact O-N 3.24Å; L106-L123 HydrophobicContact CD1-CD1 4.49Å; L106-I128 HydrophobicContact CD2-CD1 3.99Å; L106-I128 HydrophobicContact CD2-CG1 4.31Å; L106-I128 HydrophobicContact CD2-CG2 4.3Å; L106-W154 HydrophobicContact CD2-CH2 4.04Å; L106-W154 HydrophobicContact CD2-CZ3 3.83Å |
| 107 | V | 91.8 | Very high | 93.9 | Very high | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.024 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.3 | -43.8 | 177.6 | 163.1 | 0 | 0 | 0 | 0 | 111.9 | A103 L105 A109 L110 R111 M132 P133 W167 | A103-V107 WeakPolarHBondContact O-CB 3.39Å; A103-V107 WeakPolarHBondContact O-CG2 3.18Å; A103-V107 PolarHBondContact O-N 2.74Å; L105-V107 VanDerWaalsContact C-N 3.33Å; L105-V107 PolarHBondContact O-N 2.82Å; V107-A109 VanDerWaalsContact C-N 3.31Å; V107-A109 PolarHBondContact O-N 3.08Å; V107-L110 PolarHBondContact O-N 3.25Å; V107-R111 HydrophobicContact CG1-CG 4.5Å; V107-R111 WeakPolarHBondContact O-CG 3.5Å; V107-R111 PolarHBondContact O-N 2.82Å; V107-M132 HydrophobicContact CG2-CB 4.31Å; V107-M132 HydrophobicContact CG2-CG 3.99Å; V107-M132 HydrophobicContact CG2-SD 4.4Å; V107-P133 HydrophobicContact CB-CG 4.42Å; V107-P133 HydrophobicContact CG1-CG 4.11Å; V107-P133 HydrophobicContact CG2-CG 4.4Å; V107-W167 HydrophobicContact CB-CZ2 4.3Å; V107-W167 HydrophobicContact CG1-CD2 3.95Å; V107-W167 HydrophobicContact CG1-CE3 3.88Å; V107-W167 HydrophobicContact CG1-CH2 3.19Å; V107-W167 HydrophobicContact CG1-CZ2 3.26Å; V107-W167 HydrophobicContact CG1-CZ3 3.52Å; V107-W167 HydrophobicContact CG2-CD2 4.13Å; V107-W167 HydrophobicContact CG2-CG 4.43Å; V107-W167 HydrophobicContact CG2-CZ2 4.04Å |
| 108 | G | 90.3 | Very high | 93.9 | Very high | 15 Ų | 15 | 31.2 Ų | 31.2 | 16% | 0.155 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -55.5 | -46.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q104 L105 R111 V112 | Q104-G108 PolarHBondContact O-N 3.06Å; L105-G108 PolarHBondContact O-N 3Å; G108-R111 WeakPolarHBondContact O-CB 3.42Å; G108-R111 PolarHBondContact O-N 2.86Å; G108-V112 WeakPolarHBondContact O-CG2 3.36Å; G108-V112 PolarHBondContact O-N 3.3Å; G108-V112 VanDerWaalsContact O-N 3.08Å |
| 109 | A | 92.4 | Very high | 93.9 | Very high | 49 Ų | 49 | 34.7 Ų | 34.7 | 41% | 0.405 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.6 | -44.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L105 L106 V107 R111 V112 L113 | L105-A109 WeakPolarHBondContact O-CB 3.28Å; L105-A109 PolarHBondContact O-N 3.02Å; L106-A109 PolarHBondContact O-N 3.4Å; V107-A109 VanDerWaalsContact C-N 3.31Å; V107-A109 PolarHBondContact O-N 3.08Å; A109-R111 VanDerWaalsContact C-N 3.29Å; A109-R111 PolarHBondContact O-N 3.37Å; A109-V112 PolarHBondContact O-N 2.94Å; A109-L113 WeakPolarHBondContact O-CB 3.48Å; A109-L113 VanDerWaalsContact O-CG 3.25Å; A109-L113 WeakPolarHBondContact O-CG 3.29Å; A109-L113 PolarHBondContact O-N 3.21Å |
| 110 | L | 93.3 | Very high | 94 | Very high | 6 Ų | 6 | 36.6 Ų | 36.6 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.1 | -38.7 | 176.7 | -68 | 174.9 | 0 | 0 | 0 | 112.1 | L106 V107 A114 L121 L142 L164 W167 | L106-L110 HydrophobicContact CD1-CG 4.43Å; L106-L110 HydrophobicContact CG-CD1 4.28Å; L106-L110 VanDerWaalsContact O-CG 3.32Å; L106-L110 WeakPolarHBondContact O-CG 3.36Å; L106-L110 PolarHBondContact O-N 3.24Å; V107-L110 PolarHBondContact O-N 3.25Å; L110-A114 PolarHBondContact O-N 3.26Å; L110-L121 HydrophobicContact CD2-CD2 3.96Å; L110-L142 HydrophobicContact CD2-CD2 3.68Å; L110-L164 HydrophobicContact CD1-CD1 4.02Å; L110-W167 HydrophobicContact CD1-CB 3.9Å; L110-W167 HydrophobicContact CD1-CG 4.41Å |
| 111 | R | 90.7 | Very high | 94.1 | Very high | 39 Ų | 39 | 34.7 Ų | 34.7 | 15% | 0.147 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.2 | -43.8 | 175.6 | -72.7 | 174.8 | 69.4 | 178.9 | -2.7 | 112.3 | D76 V107 G108 A109 A114 Y115 W167 | D76-R111 IonicContact OD1-NH1 3.27Å; V107-R111 HydrophobicContact CG1-CG 4.5Å; V107-R111 WeakPolarHBondContact O-CG 3.5Å; V107-R111 PolarHBondContact O-N 2.82Å; G108-R111 WeakPolarHBondContact O-CB 3.42Å; G108-R111 PolarHBondContact O-N 2.86Å; A109-R111 VanDerWaalsContact C-N 3.29Å; A109-R111 PolarHBondContact O-N 3.37Å; R111-A114 WeakPolarHBondContact O-CB 3.44Å; R111-A114 PolarHBondContact O-N 2.91Å; R111-Y115 WeakPolarHBondContact O-CD2 3.25Å; R111-W167 HydrophobicContact CG-CE3 3.97Å; R111-W167 HydrophobicContact CG-CH2 4.35Å; R111-W167 HydrophobicContact CG-CZ3 3.4Å; R111-W167 VanDerWaalsContact CG-CZ3 3.4Å |
| 112 | V | 90.9 | Very high | 94.2 | Very high | 48 Ų | 48 | 35.7 Ų | 35.7 | 29% | 0.291 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -65.4 | -47.9 | 176.9 | 174.5 | 0 | 0 | 0 | 0 | 110 | P79 V86 G108 A109 A114 Y115 | P79-V112 HydrophobicContact CB-CG2 3.94Å; V86-V112 HydrophobicContact CG1-CG1 4.33Å; V86-V112 WeakPolarHBondContact CG1-O 3.32Å; V86-V112 HydrophobicContact CG2-CG1 3.68Å; G108-V112 WeakPolarHBondContact O-CG2 3.36Å; G108-V112 PolarHBondContact O-N 3.3Å; G108-V112 VanDerWaalsContact O-N 3.08Å; A109-V112 PolarHBondContact O-N 2.94Å; V112-A114 PolarHBondContact O-N 2.92Å; V112-A114 VanDerWaalsContact O-N 3.15Å; V112-Y115 PolarHBondContact O-N 3.4Å; V112-Y115 VanDerWaalsContact O-N 3.13Å |
| 113 | L | 93.6 | Very high | 94.4 | Very high | 29 Ų | 29 | 35.9 Ų | 35.9 | 15% | 0.152 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.3 | -21.2 | 179.5 | -69.8 | 170.9 | 0 | 0 | 0 | 112.9 | L94 A109 Y115 S116 L118 L142 | L94-L113 HydrophobicContact CD2-CD1 3.77Å; L94-L113 HydrophobicContact CD2-CD2 4.33Å; A109-L113 WeakPolarHBondContact O-CB 3.48Å; A109-L113 VanDerWaalsContact O-CG 3.25Å; A109-L113 WeakPolarHBondContact O-CG 3.29Å; A109-L113 PolarHBondContact O-N 3.21Å; L113-Y115 PolarHBondContact O-N 2.92Å; L113-S116 WeakPolarHBondContact O-CA 3.39Å; L113-S116 VanDerWaalsContact O-CB 3.24Å; L113-S116 WeakPolarHBondContact O-CB 3.42Å; L113-S116 PolarHBondContact O-N 3.3Å; L113-S116 PolarHBondContact O-OG 3.38Å; L113-L118 HydrophobicContact CD1-CD2 4.21Å; L113-L142 VanDerWaalsContact C-CD1 3.41Å; L113-L142 HydrophobicContact CB-CD1 3.81Å; L113-L142 HydrophobicContact CB-CD2 4.48Å; L113-L142 VanDerWaalsContact O-CD1 3.24Å; L113-L142 WeakPolarHBondContact O-CD1 3.46Å |
| 114 | A | 92.6 | Very high | 94.5 | Very high | 23 Ų | 23 | 37.4 Ų | 37.4 | 19% | 0.19 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -21.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L110 R111 V112 T140 | L110-A114 PolarHBondContact O-N 3.26Å; R111-A114 WeakPolarHBondContact O-CB 3.44Å; R111-A114 PolarHBondContact O-N 2.91Å; V112-A114 PolarHBondContact O-N 2.92Å; V112-A114 VanDerWaalsContact O-N 3.15Å; A114-T140 WeakPolarHBondContact CB-O 3.37Å |
| 115 | Y | 92.3 | Very high | 94.8 | Very high | 79 Ų | 79 | 37 Ų | 37 | 31% | 0.31 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -14.7 | 172.6 | -64.3 | -86.6 | 0 | 0 | 0 | 113.5 | P79 R80 A83 R111 V112 L113 | P79-Y115 HydrophobicContact CB-CE2 3.99Å; P79-Y115 HydrophobicContact CG-CE2 3.68Å; R80-Y115 WeakPolarHBondContact CG-OH 3.46Å; A83-Y115 HydrophobicContact CB-CD1 3.51Å; A83-Y115 HydrophobicContact CB-CE1 3.92Å; A83-Y115 HydrophobicContact CB-CG 3.86Å; R111-Y115 WeakPolarHBondContact O-CD2 3.25Å; V112-Y115 PolarHBondContact O-N 3.4Å; V112-Y115 VanDerWaalsContact O-N 3.13Å; L113-Y115 PolarHBondContact O-N 2.92Å |
| 116 | S | 94.1 | Very high | 95 | Very high | 18 Ų | 18 | 36 Ų | 36 | 13% | 0.126 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -76.5 | 178.8 | 177.6 | 82.7 | 0 | 0 | 0 | 0 | 111.2 | L113 L118 | L113-S116 WeakPolarHBondContact O-CA 3.39Å; L113-S116 VanDerWaalsContact O-CB 3.24Å; L113-S116 WeakPolarHBondContact O-CB 3.42Å; L113-S116 PolarHBondContact O-N 3.3Å; L113-S116 PolarHBondContact O-OG 3.38Å; S116-L118 VanDerWaalsContact OG-CB 3.23Å; S116-L118 WeakPolarHBondContact OG-CB 3.49Å; S116-L118 PolarHBondContact OG-N 3.29Å; S116-L118 VanDerWaalsContact OG-N 3.09Å |
| 117 | R | 95.4 | Very high | 95.1 | Very high | 141 Ų | 141 | 39.7 Ų | 39.7 | 53% | 0.532 | 20% | 0.202 | S | C | . | . | trans | -104.4 | 23.8 | 172 | -58.2 | 173 | -167.9 | -168.1 | 5.3 | 111.7 | R92 Q119 | R92-R117 WeakPolarHBondContact CD-O 3.4Å; R117-Q119 PolarHBondContact O-N 3.47Å | ||
| 118 | L | 97.7 | Very high | 95.3 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | trans | -56.6 | 135.6 | 178.8 | -171.4 | 73.2 | 0 | 0 | 0 | 110.5 | V91 R92 L94 L113 S116 L121 L142 A143 L144 | V91-L118 HydrophobicContact CG2-CD1 4Å; R92-L118 WeakPolarHBondContact O-CD1 3.2Å; L94-L118 HydrophobicContact CB-CD1 3.58Å; L94-L118 HydrophobicContact CB-CD2 4.2Å; L94-L118 HydrophobicContact CD2-CD2 4.41Å; L113-L118 HydrophobicContact CD1-CD2 4.21Å; S116-L118 VanDerWaalsContact OG-CB 3.23Å; S116-L118 WeakPolarHBondContact OG-CB 3.49Å; S116-L118 PolarHBondContact OG-N 3.29Å; S116-L118 VanDerWaalsContact OG-N 3.09Å; L118-L121 HydrophobicContact CD2-CB 4.43Å; L118-L142 HydrophobicContact CD2-CD2 4.3Å; L118-A143 VanDerWaalsContact O-O 3.1Å; L118-L144 HydrophobicContact CD2-CD2 4.08Å; L118-L144 HydrophobicContact CG-CD2 4.18Å | ||
| 119 | Q | 98 | Very high | 95.6 | Very high | 98 Ų | 98 | 40 Ų | 40 | 46% | 0.458 | 20% | 0.201 | S | C | . | . | trans | -118.9 | -29.2 | -178.4 | -65.1 | -174.4 | -2.5 | 0 | 0 | 112.5 | R92 R117 S145 S146 | R92-Q119 PolarHBondContact O-N 3.46Å; R117-Q119 PolarHBondContact O-N 3.47Å; Q119-S145 WeakPolarHBondContact O-CA 3.48Å; Q119-S145 PolarHBondContact O-N 2.86Å; Q119-S145 PolarHBondContact O-OG 2.9Å; Q119-S146 PolarHBondContact O-N 3.28Å; Q119-S146 VanDerWaalsContact O-N 3.1Å | ||
| 120 | E | 98.6 | Very high | 95.5 | Very high | 45 Ų | 45 | 39.5 Ų | 39.5 | 21% | 0.21 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 127.7 | -176.7 | -48.6 | -174.3 | -137.1 | 0 | 0 | 109.6 | R92 R93 L94 S146 | R92-E120 PolarHBondContact O-N 2.85Å; R93-E120 WeakPolarHBondContact CA-O 3.37Å; R93-E120 HydrophobicContact CB-CB 4.47Å; R93-E120 HydrophobicContact CG-CB 4.06Å; R93-E120 HydrophobicContact CG-CG 4.17Å; R93-E120 IonicContact CZ-OE1 2.74Å; R93-E120 IonicContact NE-OE1 3.69Å; R93-E120 PolarHBondContact NE-OE1 3.38Å; R93-E120 IonicContact NE-OE2 2.75Å; R93-E120 IonicContact NH2-OE1 2.82Å; R93-E120 PolarHBondContact NH2-OE1 3.42Å; L94-E120 PolarHBondContact N-O 3.39Å; E120-S146 WeakPolarHBondContact CA-O 3.21Å |
| 121 | L | 98.8 | Very high | 95.4 | Very high | 8 Ų | 8 | 43.6 Ų | 43.6 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 129.6 | 175 | 179.3 | 63.1 | 0 | 0 | 0 | 109.3 | L94 L110 L118 L123 L142 L144 S146 L147 R148 | L94-L121 HydrophobicContact CB-CD1 4.23Å; L94-L121 HydrophobicContact CD2-CD1 4.08Å; L94-L121 HydrophobicContact CG-CD1 4.17Å; L94-L121 CarbonylContact O-C 3.51Å; L94-L121 WeakPolarHBondContact O-CA 2.81Å; L110-L121 HydrophobicContact CD2-CD2 3.96Å; L118-L121 HydrophobicContact CD2-CB 4.43Å; L121-L123 HydrophobicContact CD1-CD2 4.02Å; L121-L123 HydrophobicContact CD2-CD2 4.38Å; L121-L123 HydrophobicContact CG-CD2 4.18Å; L121-L123 HydrophobicContact CG-CG 4.37Å; L121-L142 HydrophobicContact CD2-CD2 4.37Å; L121-L144 HydrophobicContact CB-CD1 3.68Å; L121-L144 HydrophobicContact CB-CD2 3.98Å; L121-L144 HydrophobicContact CD2-CD1 4.12Å; L121-S146 PolarHBondContact N-O 2.89Å; L121-L147 HydrophobicContact CB-CD1 4.08Å; L121-L147 HydrophobicContact CD2-CD1 4.06Å; L121-L147 HydrophobicContact CG-CD1 4.13Å; L121-L147 CarbonylContact O-C 3.39Å; L121-L147 WeakPolarHBondContact O-CA 3.44Å; L121-R148 PolarHBondContact O-N 2.74Å |
| 122 | T | 98.7 | Very high | 95.3 | Very high | 31 Ų | 31 | 42.5 Ų | 42.5 | 19% | 0.19 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 125.4 | 172.5 | -56.6 | 0 | 0 | 0 | 0 | 109.1 | L94 T95 V96 R148 | L94-T122 PolarHBondContact O-N 2.98Å; T95-T122 CarbonylContact C-O 3.54Å; T95-T122 WeakPolarHBondContact CA-O 3.41Å; T95-T122 HydrophobicContact CG2-CG2 4.07Å; V96-T122 PolarHBondContact N-O 2.9Å; T122-R148 CarbonylContact C-O 3.47Å; T122-R148 VanDerWaalsContact CA-O 3.28Å; T122-R148 WeakPolarHBondContact CA-O 3.29Å; T122-R148 HydrophobicContact CG2-CB 4.08Å |
| 123 | L | 98.4 | Very high | 95.2 | Very high | 7 Ų | 7 | 42.1 Ų | 42.1 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 123.8 | 170.8 | -55.9 | -177.7 | 0 | 0 | 0 | 108.2 | V96 L106 L121 L126 R148 L149 R150 V152 | V96-L123 HydrophobicContact CB-CD2 4.22Å; V96-L123 WeakPolarHBondContact O-CA 3.37Å; L106-L123 HydrophobicContact CD1-CD1 4.49Å; L121-L123 HydrophobicContact CD1-CD2 4.02Å; L121-L123 HydrophobicContact CD2-CD2 4.38Å; L121-L123 HydrophobicContact CG-CD2 4.18Å; L121-L123 HydrophobicContact CG-CG 4.37Å; L123-L126 HydrophobicContact CB-CD1 3.83Å; L123-L126 HydrophobicContact CD1-CD1 4.45Å; L123-L126 HydrophobicContact CD2-CD1 3.93Å; L123-L126 HydrophobicContact CG-CD1 4.27Å; L123-R148 PolarHBondContact N-O 2.99Å; L123-L149 HydrophobicContact CB-CD2 3.73Å; L123-L149 HydrophobicContact CD1-CD2 3.74Å; L123-L149 HydrophobicContact CG-CD2 3.92Å; L123-L149 CarbonylContact O-C 3.47Å; L123-L149 WeakPolarHBondContact O-CA 3.43Å; L123-R150 PolarHBondContact O-N 2.95Å; L123-V152 HydrophobicContact CB-CG2 3.99Å; L123-V152 WeakPolarHBondContact O-CG2 3.36Å |
| 124 | E | 97.9 | Very high | 94.8 | Very high | 31 Ų | 31 | 45.5 Ų | 45.5 | 15% | 0.145 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 133.7 | -174.8 | -179.2 | 171.6 | -146.7 | 0 | 0 | 112.4 | R60 V96 G97 A98 L126 R150 | R60-E124 IonicContact CZ-OE2 3.89Å; R60-E124 VanDerWaalsContact CZ-OE2 3.26Å; R60-E124 IonicContact NH1-OE2 2.82Å; R60-E124 PolarHBondContact NH1-OE2 3.27Å; R60-E124 IonicContact NH2-OE2 3.73Å; R60-E124 PolarHBondContact NH2-OE2 2.88Å; V96-E124 PolarHBondContact O-N 3.44Å; G97-E124 CarbonylContact C-O 3.29Å; G97-E124 WeakPolarHBondContact CA-O 3.35Å; A98-E124 PolarHBondContact N-O 3.13Å; E124-L126 VanDerWaalsContact C-N 3.33Å; E124-L126 PolarHBondContact O-N 3.47Å; E124-R150 CarbonylContact C-O 3.59Å; E124-R150 VanDerWaalsContact CA-O 3.25Å; E124-R150 WeakPolarHBondContact CA-O 3.4Å; E124-R150 HydrophobicContact CB-CB 4.47Å; E124-R150 HydrophobicContact CG-CB 4.16Å; E124-R150 HydrophobicContact CG-CG 4.41Å; E124-R150 WeakPolarHBondContact OE1-CD 3.37Å; E124-R150 IonicContact OE1-CZ 2.75Å; E124-R150 IonicContact OE1-NE 2.85Å; E124-R150 IonicContact OE1-NH1 3.53Å; E124-R150 PolarHBondContact OE1-NH1 2.93Å |
| 125 | D | 97.4 | Very high | 94.1 | Very high | 58 Ų | 58 | 47.2 Ų | 47.2 | 31% | 0.31 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 53.8 | 50 | 177.1 | -56.4 | -45.2 | 0 | 0 | 0 | 111.8 | A98 A99 R150 N151 | A98-D125 WeakPolarHBondContact CA-O 3.44Å; A98-D125 PolarHBondContact N-O 2.85Å; A98-D125 VanDerWaalsContact N-O 3.17Å; A99-D125 PolarHBondContact N-O 3.17Å; D125-R150 PolarHBondContact N-O 2.89Å; D125-N151 VanDerWaalsContact CA-O 3.29Å; D125-N151 WeakPolarHBondContact CA-O 3.37Å; D125-N151 PolarHBondContact N-O 3Å; D125-N151 WeakPolarHBondContact OD1-CB 3.42Å; D125-N151 PolarHBondContact OD1-ND2 3.28Å |
| 126 | L | 97.3 | Very high | 93.6 | Very high | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 140.1 | -178.7 | -63.9 | -170.7 | 0 | 0 | 0 | 111.8 | A99 V101 L123 E124 I128 N151 V152 S153 | A99-L126 HydrophobicContact CB-CD2 3.71Å; A99-L126 WeakPolarHBondContact O-CA 3.44Å; V101-L126 HydrophobicContact CG2-CD2 4.25Å; L123-L126 HydrophobicContact CB-CD1 3.83Å; L123-L126 HydrophobicContact CD1-CD1 4.45Å; L123-L126 HydrophobicContact CD2-CD1 3.93Å; L123-L126 HydrophobicContact CG-CD1 4.27Å; E124-L126 VanDerWaalsContact C-N 3.33Å; E124-L126 PolarHBondContact O-N 3.47Å; L126-I128 HydrophobicContact CB-CD1 4.13Å; L126-I128 HydrophobicContact CD1-CD1 4.31Å; L126-N151 PolarHBondContact N-O 2.8Å; L126-V152 HydrophobicContact CB-CG1 4.15Å; L126-V152 HydrophobicContact CB-CG2 4.31Å; L126-V152 CarbonylContact O-C 3.55Å; L126-V152 VanDerWaalsContact O-CA 3.32Å; L126-V152 WeakPolarHBondContact O-CA 3.44Å; L126-S153 PolarHBondContact O-N 3.02Å |
| 127 | E | 96.9 | Very high | 92.5 | Very high | 94 Ų | 94 | 54.3 Ų | 54.3 | 44% | 0.439 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 107.8 | 167.1 | -178 | -176.4 | 148.3 | 0 | 0 | 109.8 | A99 Q100 V101 T129 S153 | A99-E127 PolarHBondContact O-N 3.37Å; Q100-E127 CarbonylContact C-O 3.58Å; Q100-E127 WeakPolarHBondContact CA-O 3.25Å; Q100-E127 HydrophobicContact CB-CB 4.33Å; Q100-E127 HydrophobicContact CG-CB 4.12Å; Q100-E127 HydrophobicContact CG-CG 4.2Å; Q100-E127 PolarHBondContact NE2-OE1 3Å; V101-E127 PolarHBondContact N-O 2.99Å; E127-T129 HydrophobicContact CG-CG2 4.22Å; E127-T129 PolarHBondContact O-N 2.73Å; E127-S153 WeakPolarHBondContact CA-OG 3.36Å; E127-S153 WeakPolarHBondContact CG-OG 3.42Å |
| 128 | I | 96.5 | Very high | 91.2 | Very high | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 108.8 | 179.4 | -50.9 | -54.1 | 0 | 0 | 0 | 110 | V101 A103 L106 L126 V152 S153 W154 A155 | V101-I128 HydrophobicContact CB-CD1 3.89Å; V101-I128 HydrophobicContact CG2-CD1 4.46Å; V101-I128 VanDerWaalsContact O-CA 3.31Å; V101-I128 WeakPolarHBondContact O-CA 3.36Å; A103-I128 HydrophobicContact CB-CG2 4.03Å; L106-I128 HydrophobicContact CD2-CD1 3.99Å; L106-I128 HydrophobicContact CD2-CG1 4.31Å; L106-I128 HydrophobicContact CD2-CG2 4.3Å; L126-I128 HydrophobicContact CB-CD1 4.13Å; L126-I128 HydrophobicContact CD1-CD1 4.31Å; I128-V152 HydrophobicContact CG1-CG1 4.04Å; I128-S153 WeakPolarHBondContact CB-O 3.36Å; I128-S153 PolarHBondContact N-O 3Å; I128-W154 HydrophobicContact CB-CD2 4.23Å; I128-W154 HydrophobicContact CB-CE3 3.7Å; I128-W154 HydrophobicContact CB-CZ3 4.12Å; I128-W154 HydrophobicContact CG1-CD2 4.12Å; I128-W154 HydrophobicContact CG1-CE3 3.73Å; I128-W154 HydrophobicContact CG1-CH2 4.19Å; I128-W154 HydrophobicContact CG1-CZ3 3.77Å; I128-W154 HydrophobicContact CG2-CE3 3.75Å; I128-W154 HydrophobicContact CG2-CZ3 3.95Å; I128-A155 PolarHBondContact O-N 2.87Å; I128-A155 VanDerWaalsContact O-N 3.1Å |
| 129 | T | 95.3 | Very high | 89.9 | Confident | 21 Ų | 21 | 56 Ų | 56 | 13% | 0.129 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 150.3 | -178.1 | 64.1 | 0 | 0 | 0 | 0 | 112 | Q100 V101 P102 A103 E127 | Q100-T129 HydrophobicContact CG-CG2 3.58Å; V101-T129 PolarHBondContact O-N 3.13Å; P102-T129 WeakPolarHBondContact CA-OG1 3.26Å; A103-T129 WeakPolarHBondContact CB-O 3.37Å; A103-T129 PolarHBondContact N-O 3.48Å; E127-T129 HydrophobicContact CG-CG2 4.22Å; E127-T129 PolarHBondContact O-N 2.73Å |
| 130 | G | 92.1 | Very high | 88.9 | Confident | 39 Ų | 39 | 54.6 Ų | 54.6 | 40% | 0.402 | 31% | 0.311 | S | S | . | . | S | Bend | trans | 71.6 | -172.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114.2 | A155 | G130-A155 WeakPolarHBondContact O-CB 3.35Š|
| 131 | T | 89.4 | Confident | 88.4 | Confident | 92 Ų | 92 | 53 Ų | 53 | 56% | 0.564 | 31% | 0.306 | S | S | * | . | trans | -105.9 | 141.6 | -177.3 | 57.8 | 0 | 0 | 0 | 0 | 111 | T156 | T131-T156 HydrophobicContact CG2-CG2 3.82Š| ||
| 132 | M | 89.6 | Confident | 88.2 | Confident | 17 Ų | 17 | 52.8 Ų | 52.8 | 8% | 0.084 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 128 | 174 | -78 | -177.1 | -92.7 | 0 | 0 | 109.8 | A103 V107 W154 E163 L164 | A103-M132 HydrophobicContact CB-CG 3.96Å; V107-M132 HydrophobicContact CG2-CB 4.31Å; V107-M132 HydrophobicContact CG2-CG 3.99Å; V107-M132 HydrophobicContact CG2-SD 4.4Å; M132-W154 HydrophobicContact CE-CE3 3.79Å; M132-W154 HydrophobicContact CE-CZ3 3.56Å; M132-W154 HydrophobicContact SD-CZ3 4.3Å; M132-E163 HydrophobicContact CB-CB 4.25Å; M132-E163 HydrophobicContact CE-CB 3.44Å; M132-E163 VanDerWaalsContact CE-CB 3.44Å; M132-E163 HydrophobicContact SD-CB 4.21Å; M132-L164 HydrophobicContact CE-CB 4.18Å; M132-L164 HydrophobicContact SD-CB 4.5Å |
| 133 | P | 88 | Confident | 88 | Confident | 39 Ų | 39 | 53.8 Ų | 53.8 | 25% | 0.253 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 154.6 | 171.9 | 27 | -34.5 | 0 | 0 | 0 | 110.5 | V107 W167 | V107-P133 HydrophobicContact CB-CG 4.42Å; V107-P133 HydrophobicContact CG1-CG 4.11Å; V107-P133 HydrophobicContact CG2-CG 4.4Å; P133-W167 HydrophobicContact CG-CZ2 4.41Å; P133-W167 VanDerWaalsContact O-CZ2 3.27Å; P133-W167 WeakPolarHBondContact O-CZ2 3.37Å; P133-W167 PolarHBondContact O-NE1 3.36Å |
| 134 | P | 84.9 | Confident | 88 | Confident | 100 Ų | 100 | 53.8 Ų | 53.8 | 65% | 0.649 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 148.1 | 174.4 | 28.3 | -33.7 | 0 | 0 | 0 | 111.2 | P136 | P134-P136 WeakPolarHBondContact O-CD 3.34Š|
| 135 | L | 79.7 | Confident | 88 | Confident | 59 Ų | 59 | 54.1 Ų | 54.1 | 31% | 0.309 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 123.2 | 176.6 | -174.9 | 76.3 | 0 | 0 | 0 | 111 | A139 Q166 W167 | L135-A139 HydrophobicContact CD1-CB 3.47Å; L135-A139 VanDerWaalsContact CD1-CB 3.47Å; L135-A139 HydrophobicContact CG-CB 4Å; L135-Q166 HydrophobicContact CB-CB 4.3Å; L135-Q166 WeakPolarHBondContact CD2-O 3.46Å; L135-W167 HydrophobicContact CB-CH2 4.46Å; L135-W167 HydrophobicContact CB-CZ2 4.36Å; L135-W167 HydrophobicContact CD1-CD2 3.94Å; L135-W167 HydrophobicContact CD1-CE3 3.34Å; L135-W167 HydrophobicContact CD1-CH2 3.71Å; L135-W167 HydrophobicContact CD1-CZ2 4.25Å; L135-W167 HydrophobicContact CD1-CZ3 3.21Å; L135-W167 HydrophobicContact CG-CZ3 4.48Å |
| 136 | P | 80.3 | Confident | 88.1 | Confident | 56 Ų | 56 | 51.7 Ų | 51.7 | 36% | 0.364 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -63 | 149.8 | 171.7 | -21.5 | 32.9 | 0 | 0 | 0 | 112.1 | P134 E138 A139 | P134-P136 WeakPolarHBondContact O-CD 3.34Å; P136-E138 PolarHBondContact O-N 2.92Å; P136-E138 VanDerWaalsContact O-N 3.09Å; P136-A139 HydrophobicContact CB-CB 4.28Å; P136-A139 HydrophobicContact CG-CB 4.38Å; P136-A139 WeakPolarHBondContact O-CB 3.39Å; P136-A139 PolarHBondContact O-N 3.37Å |
| 137 | L | 71.5 | Confident | 88.1 | Confident | 190 Ų | 190 | 51.6 Ų | 51.6 | 100% | 0.995 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -30.7 | -176.9 | -69.4 | 169.7 | 0 | 0 | 0 | 114.2 | ||
| 138 | E | 68.8 | Low | 88.2 | Confident | 158 Ų | 158 | 51.7 Ų | 51.7 | 74% | 0.738 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -9.1 | -178.9 | -60.2 | -174.6 | -177.5 | 0 | 0 | 113.7 | P136 | P136-E138 PolarHBondContact O-N 2.92Å; P136-E138 VanDerWaalsContact O-N 3.09Å |
| 139 | A | 69.6 | Low | 88.3 | Confident | 23 Ų | 23 | 51.8 Ų | 51.8 | 19% | 0.19 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -81.4 | 137.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L135 P136 | L135-A139 HydrophobicContact CD1-CB 3.47Å; L135-A139 VanDerWaalsContact CD1-CB 3.47Å; L135-A139 HydrophobicContact CG-CB 4Å; P136-A139 HydrophobicContact CB-CB 4.28Å; P136-A139 HydrophobicContact CG-CB 4.38Å; P136-A139 WeakPolarHBondContact O-CB 3.39Å; P136-A139 PolarHBondContact O-N 3.37Å |
| 140 | T | 77.9 | Confident | 88.4 | Confident | 70 Ų | 70 | 55.4 Ų | 55.4 | 43% | 0.429 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -97.6 | 127.3 | 177.2 | -58.2 | 0 | 0 | 0 | 0 | 109.8 | A114 | A114-T140 WeakPolarHBondContact CB-O 3.37Š|
| 141 | G | 87 | Confident | 88.7 | Confident | 11 Ų | 11 | 57 Ų | 57 | 11% | 0.113 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 157.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | W167 K169 | G141-W167 CarbonylContact C-O 3.6Å; G141-W167 WeakPolarHBondContact CA-O 3.39Å; G141-K169 VanDerWaalsContact O-CE 3.25Å; G141-K169 WeakPolarHBondContact O-CE 3.19Å; G141-K169 WeakPolarHBondContact O-CG 3.29Å |
| 142 | L | 94.6 | Very high | 89 | Confident | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | B | Isolated β-bridge | trans | -71.8 | 132.2 | 177.9 | -178.4 | 64.1 | 0 | 0 | 0 | 111.4 | L110 L113 L118 L121 L144 W167 L168 K169 | L110-L142 HydrophobicContact CD2-CD2 3.68Å; L113-L142 VanDerWaalsContact C-CD1 3.41Å; L113-L142 HydrophobicContact CB-CD1 3.81Å; L113-L142 HydrophobicContact CB-CD2 4.48Å; L113-L142 VanDerWaalsContact O-CD1 3.24Å; L113-L142 WeakPolarHBondContact O-CD1 3.46Å; L118-L142 HydrophobicContact CD2-CD2 4.3Å; L121-L142 HydrophobicContact CD2-CD2 4.37Å; L142-L144 HydrophobicContact CD2-CD1 3.95Å; L142-L144 HydrophobicContact CD2-CD2 3.85Å; L142-L144 HydrophobicContact CD2-CG 3.83Å; L142-L144 HydrophobicContact CG-CD1 4.48Å; L142-L144 HydrophobicContact CG-CD2 4Å; L142-L144 HydrophobicContact CG-CG 3.88Å; L142-L144 PolarHBondContact O-N 2.99Å; L142-W167 PolarHBondContact N-O 3.15Å; L142-L168 HydrophobicContact CB-CD2 4.48Å; L142-K169 PolarHBondContact O-N 3.02Å |
| 143 | A | 95.8 | Very high | 89.3 | Confident | 53 Ų | 53 | 54 Ų | 54 | 44% | 0.438 | 30% | 0.301 | S | S | . | . | trans | -89.8 | 81.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L118 K169 | L118-A143 VanDerWaalsContact O-O 3.1Å; A143-K169 HydrophobicContact CB-CD 3.74Å; A143-K169 HydrophobicContact CB-CG 4.43Å | ||
| 144 | L | 97.8 | Very high | 89.6 | Confident | 7 Ų | 7 | 53.6 Ų | 53.6 | 4% | 0.037 | 30% | 0.295 | C | S | . | . | trans | -94.4 | 145.2 | 178.5 | -64.8 | 179.3 | 0 | 0 | 0 | 113 | L118 L121 L142 L147 L168 G171 L172 | L118-L144 HydrophobicContact CD2-CD2 4.08Å; L118-L144 HydrophobicContact CG-CD2 4.18Å; L121-L144 HydrophobicContact CB-CD1 3.68Å; L121-L144 HydrophobicContact CB-CD2 3.98Å; L121-L144 HydrophobicContact CD2-CD1 4.12Å; L142-L144 HydrophobicContact CD2-CD1 3.95Å; L142-L144 HydrophobicContact CD2-CD2 3.85Å; L142-L144 HydrophobicContact CD2-CG 3.83Å; L142-L144 HydrophobicContact CG-CD1 4.48Å; L142-L144 HydrophobicContact CG-CD2 4Å; L142-L144 HydrophobicContact CG-CG 3.88Å; L142-L144 PolarHBondContact O-N 2.99Å; L144-L147 HydrophobicContact CD1-CB 4.28Å; L144-L147 HydrophobicContact CD1-CD1 4.17Å; L144-L168 HydrophobicContact CD1-CD2 3.87Å; L144-L168 HydrophobicContact CG-CD2 4.46Å; L144-G171 CarbonylContact O-C 3.21Å; L144-L172 HydrophobicContact CB-CD1 3.84Å; L144-L172 WeakPolarHBondContact O-CA 3.17Å; L144-L172 PolarHBondContact O-N 3.03Å | ||
| 145 | S | 98.1 | Very high | 89.9 | Confident | 38 Ų | 38 | 52 Ų | 52 | 27% | 0.266 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -93.7 | -34.7 | 164.9 | 73 | 0 | 0 | 0 | 0 | 111.9 | Q119 K173 V174 | Q119-S145 WeakPolarHBondContact O-CA 3.48Å; Q119-S145 PolarHBondContact O-N 2.86Å; Q119-S145 PolarHBondContact O-OG 2.9Å; S145-K173 WeakPolarHBondContact O-CA 3.23Å; S145-K173 WeakPolarHBondContact O-CB 3.25Å; S145-K173 PolarHBondContact O-N 3.49Å; S145-V174 PolarHBondContact O-N 2.86Å |
| 146 | S | 98.6 | Very high | 90.2 | Very high | 6 Ų | 6 | 50.8 Ų | 50.8 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 133.7 | -179 | -178.8 | 0 | 0 | 0 | 0 | 110.5 | Q119 E120 L121 V174 | Q119-S146 PolarHBondContact O-N 3.28Å; Q119-S146 VanDerWaalsContact O-N 3.1Å; E120-S146 WeakPolarHBondContact CA-O 3.21Å; L121-S146 PolarHBondContact N-O 2.89Å; S146-V174 WeakPolarHBondContact CA-O 3.31Å |
| 147 | L | 98.7 | Very high | 90.5 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 126.3 | 172.4 | 176.1 | 62.7 | 0 | 0 | 0 | 108.7 | L121 L144 L149 L164 L168 L172 V174 L175 S176 | L121-L147 HydrophobicContact CB-CD1 4.08Å; L121-L147 HydrophobicContact CD2-CD1 4.06Å; L121-L147 HydrophobicContact CG-CD1 4.13Å; L121-L147 CarbonylContact O-C 3.39Å; L121-L147 WeakPolarHBondContact O-CA 3.44Å; L144-L147 HydrophobicContact CD1-CB 4.28Å; L144-L147 HydrophobicContact CD1-CD1 4.17Å; L147-L149 HydrophobicContact CD1-CD2 4.04Å; L147-L149 HydrophobicContact CG-CD2 4.35Å; L147-L149 HydrophobicContact CG-CG 4.36Å; L147-L164 HydrophobicContact CD2-CD2 3.92Å; L147-L168 HydrophobicContact CD2-CD1 3.91Å; L147-L172 HydrophobicContact CB-CD1 3.84Å; L147-L172 HydrophobicContact CB-CD2 4.29Å; L147-V174 PolarHBondContact N-O 2.86Å; L147-L175 HydrophobicContact CB-CD1 4.18Å; L147-L175 HydrophobicContact CD2-CD1 4.02Å; L147-L175 HydrophobicContact CG-CD1 4.13Å; L147-L175 CarbonylContact O-C 3.6Å; L147-L175 WeakPolarHBondContact O-CA 3.32Å; L147-S176 PolarHBondContact O-N 3.29Å |
| 148 | R | 98.7 | Very high | 91.3 | Very high | 97 Ų | 97 | 47.7 Ų | 47.7 | 37% | 0.366 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 131.5 | 178.2 | -57 | -174.9 | -179.6 | -85.6 | -1.2 | 109.9 | L121 T122 L123 S176 | L121-R148 PolarHBondContact O-N 2.74Å; T122-R148 CarbonylContact C-O 3.47Å; T122-R148 VanDerWaalsContact CA-O 3.28Å; T122-R148 WeakPolarHBondContact CA-O 3.29Å; T122-R148 HydrophobicContact CG2-CB 4.08Å; L123-R148 PolarHBondContact N-O 2.99Å; R148-S176 CarbonylContact C-O 3.47Å; R148-S176 WeakPolarHBondContact CA-O 3.41Å |
| 149 | L | 98.1 | Very high | 92.4 | Very high | 6 Ų | 6 | 41.2 Ų | 41.2 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 125.9 | 179.7 | -54.8 | 174.7 | 0 | 0 | 0 | 107.5 | L123 L147 V152 W160 L164 S176 I177 A178 | L123-L149 HydrophobicContact CB-CD2 3.73Å; L123-L149 HydrophobicContact CD1-CD2 3.74Å; L123-L149 HydrophobicContact CG-CD2 3.92Å; L123-L149 CarbonylContact O-C 3.47Å; L123-L149 WeakPolarHBondContact O-CA 3.43Å; L147-L149 HydrophobicContact CD1-CD2 4.04Å; L147-L149 HydrophobicContact CG-CD2 4.35Å; L147-L149 HydrophobicContact CG-CG 4.36Å; L149-V152 HydrophobicContact CB-CG2 4.32Å; L149-W160 HydrophobicContact CD1-CE3 4.46Å; L149-W160 HydrophobicContact CD1-CH2 3.25Å; L149-W160 HydrophobicContact CD1-CZ2 4.32Å; L149-W160 HydrophobicContact CD1-CZ3 3.33Å; L149-L164 HydrophobicContact CD1-CD2 4.49Å; L149-S176 PolarHBondContact N-O 3.09Å; L149-I177 HydrophobicContact CD1-CG1 4.45Å; L149-I177 CarbonylContact O-C 3.26Å; L149-I177 WeakPolarHBondContact O-CA 3.26Å; L149-A178 PolarHBondContact O-N 2.88Å |
| 150 | R | 97.9 | Very high | 93.5 | Very high | 96 Ų | 96 | 40.5 Ų | 40.5 | 36% | 0.362 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 121.9 | 177.2 | -177.1 | 168.2 | -174 | -79.4 | -3.1 | 109.7 | L123 E124 D125 V152 A178 Q179 | L123-R150 PolarHBondContact O-N 2.95Å; E124-R150 CarbonylContact C-O 3.59Å; E124-R150 VanDerWaalsContact CA-O 3.25Å; E124-R150 WeakPolarHBondContact CA-O 3.4Å; E124-R150 HydrophobicContact CB-CB 4.47Å; E124-R150 HydrophobicContact CG-CB 4.16Å; E124-R150 HydrophobicContact CG-CG 4.41Å; E124-R150 WeakPolarHBondContact OE1-CD 3.37Å; E124-R150 IonicContact OE1-CZ 2.75Å; E124-R150 IonicContact OE1-NE 2.85Å; E124-R150 IonicContact OE1-NH1 3.53Å; E124-R150 PolarHBondContact OE1-NH1 2.93Å; D125-R150 PolarHBondContact N-O 2.89Å; R150-V152 VanDerWaalsContact C-N 3.31Å; R150-V152 PolarHBondContact O-N 2.82Å; R150-A178 WeakPolarHBondContact CA-O 3.27Å; R150-A178 HydrophobicContact CB-CB 4.39Å; R150-A178 HydrophobicContact CG-CB 4.16Å; R150-Q179 VanDerWaalsContact CZ-NE2 3.33Å |
| 151 | N | 97.1 | Very high | 94.3 | Very high | 72 Ų | 72 | 37.3 Ų | 37.3 | 39% | 0.385 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 51.6 | 51 | -180 | -170.9 | 32.3 | 0 | 0 | 0 | 112.2 | D125 L126 A178 Q179 | D125-N151 VanDerWaalsContact CA-O 3.29Å; D125-N151 WeakPolarHBondContact CA-O 3.37Å; D125-N151 PolarHBondContact N-O 3Å; D125-N151 WeakPolarHBondContact OD1-CB 3.42Å; D125-N151 PolarHBondContact OD1-ND2 3.28Å; L126-N151 PolarHBondContact N-O 2.8Å; N151-A178 PolarHBondContact N-O 3.32Å; N151-Q179 HydrophobicContact CB-CB 4.11Å |
| 152 | V | 96.7 | Very high | 94.6 | Very high | 9 Ų | 9 | 37.1 Ų | 37.1 | 6% | 0.055 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 123.3 | 176.9 | -176.8 | 0 | 0 | 0 | 0 | 109.1 | L123 L126 I128 L149 R150 W154 | L123-V152 HydrophobicContact CB-CG2 3.99Å; L123-V152 WeakPolarHBondContact O-CG2 3.36Å; L126-V152 HydrophobicContact CB-CG1 4.15Å; L126-V152 HydrophobicContact CB-CG2 4.31Å; L126-V152 CarbonylContact O-C 3.55Å; L126-V152 VanDerWaalsContact O-CA 3.32Å; L126-V152 WeakPolarHBondContact O-CA 3.44Å; I128-V152 HydrophobicContact CG1-CG1 4.04Å; L149-V152 HydrophobicContact CB-CG2 4.32Å; R150-V152 VanDerWaalsContact C-N 3.31Å; R150-V152 PolarHBondContact O-N 2.82Å; V152-W154 HydrophobicContact CG1-CD2 4.36Å; V152-W154 HydrophobicContact CG1-CZ2 3.73Å |
| 153 | S | 95.2 | Very high | 94.5 | Very high | 39 Ų | 39 | 38.5 Ų | 38.5 | 27% | 0.273 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 149.4 | 174.5 | 67.9 | 0 | 0 | 0 | 0 | 110.9 | L126 E127 I128 | L126-S153 PolarHBondContact O-N 3.02Å; E127-S153 WeakPolarHBondContact CA-OG 3.36Å; E127-S153 WeakPolarHBondContact CG-OG 3.42Å; I128-S153 WeakPolarHBondContact CB-O 3.36Å; I128-S153 PolarHBondContact N-O 3Å |
| 154 | W | 94.7 | Very high | 94.5 | Very high | 30 Ų | 30 | 36.2 Ų | 36.2 | 11% | 0.114 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 134.7 | -175.6 | -54.4 | 85.6 | 0 | 0 | 0 | 109.3 | L106 I128 M132 V152 T156 G157 W160 L164 | L106-W154 HydrophobicContact CD2-CH2 4.04Å; L106-W154 HydrophobicContact CD2-CZ3 3.83Å; I128-W154 HydrophobicContact CB-CD2 4.23Å; I128-W154 HydrophobicContact CB-CE3 3.7Å; I128-W154 HydrophobicContact CB-CZ3 4.12Å; I128-W154 HydrophobicContact CG1-CD2 4.12Å; I128-W154 HydrophobicContact CG1-CE3 3.73Å; I128-W154 HydrophobicContact CG1-CH2 4.19Å; I128-W154 HydrophobicContact CG1-CZ3 3.77Å; I128-W154 HydrophobicContact CG2-CE3 3.75Å; I128-W154 HydrophobicContact CG2-CZ3 3.95Å; M132-W154 HydrophobicContact CE-CE3 3.79Å; M132-W154 HydrophobicContact CE-CZ3 3.56Å; M132-W154 HydrophobicContact SD-CZ3 4.3Å; V152-W154 HydrophobicContact CG1-CD2 4.36Å; V152-W154 HydrophobicContact CG1-CZ2 3.73Å; W154-T156 PolarHBondContact O-N 2.86Å; W154-G157 PolarHBondContact O-N 2.84Å; W154-W160 HydrophobicContact CB-CB 3.57Å; W154-W160 HydrophobicContact CB-CG 4.2Å; W154-W160 AromaticContact CD1-CD1 3.74Å; W154-W160 AromaticContact CD1-CD2 3.73Å; W154-W160 AromaticContact CD1-CG 3.47Å; W154-W160 VanDerWaalsContact CD1-CG 3.47Å; W154-W160 HydrophobicContact CD2-CB 3.68Å; W154-W160 HydrophobicContact CD2-CD2 4.27Å; W154-W160 HydrophobicContact CD2-CE3 4.18Å; W154-W160 HydrophobicContact CD2-CG 4.09Å; W154-W160 AromaticContact CE2-CD2 3.85Å; W154-W160 AromaticContact CE2-CE3 3.52Å; W154-W160 HydrophobicContact CE3-CB 4.22Å; W154-W160 HydrophobicContact CG-CB 3.37Å; W154-W160 HydrophobicContact CG-CD2 4.21Å; W154-W160 AromaticContact CG-CG 3.68Å; W154-W160 HydrophobicContact CG-CG 3.68Å; W154-W160 HydrophobicContact CH2-CE3 4.44Å; W154-W160 HydrophobicContact CZ2-CD2 4.46Å; W154-W160 AromaticContact CZ2-CE3 3.68Å; W154-W160 HydrophobicContact CZ2-CE3 3.68Å; W154-W160 HydrophobicContact CZ2-CZ3 4.07Å; W154-W160 AromaticContact NE1-CD2 3.48Å; W154-W160 AromaticContact NE1-CE3 3.57Å; W154-W160 AromaticContact NE1-CG 3.77Å; W154-L164 HydrophobicContact CH2-CD1 4.36Å; W154-L164 HydrophobicContact CH2-CD2 4.11Å; W154-L164 HydrophobicContact CZ2-CD2 4.32Å |
| 155 | A | 91.7 | Very high | 94.3 | Very high | 67 Ų | 67 | 36.4 Ų | 36.4 | 55% | 0.554 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -30 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | I128 G130 G157 | I128-A155 PolarHBondContact O-N 2.87Å; I128-A155 VanDerWaalsContact O-N 3.1Å; G130-A155 WeakPolarHBondContact O-CB 3.35Å; A155-G157 VanDerWaalsContact C-N 3.25Å; A155-G157 PolarHBondContact O-N 2.92Å |
| 156 | T | 85.3 | Confident | 94 | Very high | 32 Ų | 32 | 37.7 Ų | 37.7 | 20% | 0.196 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 1.8 | -175.6 | 59 | 0 | 0 | 0 | 0 | 114.2 | T131 W154 R158 S159 E163 | T131-T156 HydrophobicContact CG2-CG2 3.82Å; W154-T156 PolarHBondContact O-N 2.86Å; T156-R158 PolarHBondContact O-N 2.94Å; T156-S159 VanDerWaalsContact CB-OG 3.31Å; T156-S159 WeakPolarHBondContact CB-OG 3.37Å; T156-S159 PolarHBondContact O-N 2.94Å; T156-S159 PolarHBondContact O-OG 2.91Å; T156-S159 VanDerWaalsContact O-OG 3.12Å; T156-E163 WeakPolarHBondContact CB-OE1 3.29Å; T156-E163 VanDerWaalsContact CG2-OE1 3.3Å; T156-E163 WeakPolarHBondContact CG2-OE1 3.32Å; T156-E163 VanDerWaalsContact CG2-OE2 3.31Å; T156-E163 WeakPolarHBondContact CG2-OE2 3.35Å; T156-E163 PolarHBondContact OG1-OE1 2.91Å; T156-E163 VanDerWaalsContact OG1-OE1 3.14Å; T156-E163 PolarHBondContact OG1-OE2 2.81Å |
| 157 | G | 87.5 | Confident | 93.8 | Very high | 31 Ų | 31 | 37.6 Ų | 37.6 | 32% | 0.32 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | 56 | -124.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | W154 A155 S159 W160 | W154-G157 PolarHBondContact O-N 2.84Å; A155-G157 VanDerWaalsContact C-N 3.25Å; A155-G157 PolarHBondContact O-N 2.92Å; G157-S159 VanDerWaalsContact C-N 3.26Å; G157-S159 PolarHBondContact O-N 2.92Å; G157-S159 VanDerWaalsContact O-N 3.13Å; G157-W160 PolarHBondContact O-N 3.34Å |
| 158 | R | 88.3 | Confident | 93.6 | Very high | 150 Ų | 150 | 38.6 Ų | 38.6 | 57% | 0.566 | 20% | 0.198 | S | C | * | . | G | 310 helix | trans | -68.9 | -11 | -170.8 | -58.7 | -172.8 | -178.4 | 174.5 | 1.3 | 116.1 | T156 A184 S186 | T156-R158 PolarHBondContact O-N 2.94Å; R158-A184 WeakPolarHBondContact CB-O 3.47Å; R158-A184 WeakPolarHBondContact CG-O 3.41Å; R158-S186 PolarHBondContact O-N 2.85Å |
| 159 | S | 91.5 | Very high | 93.4 | Very high | 22 Ų | 22 | 38.2 Ų | 38.2 | 15% | 0.154 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -90.3 | -6.4 | 178.1 | 59.3 | 0 | 0 | 0 | 0 | 114.1 | T156 G157 L161 A162 E163 Q189 | T156-S159 VanDerWaalsContact CB-OG 3.31Å; T156-S159 WeakPolarHBondContact CB-OG 3.37Å; T156-S159 PolarHBondContact O-N 2.94Å; T156-S159 PolarHBondContact O-OG 2.91Å; T156-S159 VanDerWaalsContact O-OG 3.12Å; G157-S159 VanDerWaalsContact C-N 3.26Å; G157-S159 PolarHBondContact O-N 2.92Å; G157-S159 VanDerWaalsContact O-N 3.13Å; S159-L161 PolarHBondContact O-N 3.41Å; S159-L161 VanDerWaalsContact O-N 3.08Å; S159-A162 PolarHBondContact O-N 3.26Å; S159-E163 PolarHBondContact O-N 3.09Å; S159-E163 VanDerWaalsContact O-N 3.12Å; S159-E163 PolarHBondContact OG-OE1 2.87Å; S159-Q189 VanDerWaalsContact CB-OE1 3.3Å |
| 160 | W | 93.3 | Very high | 93.2 | Very high | 8 Ų | 8 | 42.4 Ų | 42.4 | 3% | 0.03 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -52.1 | -40.3 | -173.3 | 76 | -105.7 | 0 | 0 | 0 | 113.2 | L149 W154 G157 E163 L164 I177 F185 | L149-W160 HydrophobicContact CD1-CE3 4.46Å; L149-W160 HydrophobicContact CD1-CH2 3.25Å; L149-W160 HydrophobicContact CD1-CZ2 4.32Å; L149-W160 HydrophobicContact CD1-CZ3 3.33Å; W154-W160 HydrophobicContact CB-CB 3.57Å; W154-W160 HydrophobicContact CB-CG 4.2Å; W154-W160 AromaticContact CD1-CD1 3.74Å; W154-W160 AromaticContact CD1-CD2 3.73Å; W154-W160 AromaticContact CD1-CG 3.47Å; W154-W160 VanDerWaalsContact CD1-CG 3.47Å; W154-W160 HydrophobicContact CD2-CB 3.68Å; W154-W160 HydrophobicContact CD2-CD2 4.27Å; W154-W160 HydrophobicContact CD2-CE3 4.18Å; W154-W160 HydrophobicContact CD2-CG 4.09Å; W154-W160 AromaticContact CE2-CD2 3.85Å; W154-W160 AromaticContact CE2-CE3 3.52Å; W154-W160 HydrophobicContact CE3-CB 4.22Å; W154-W160 HydrophobicContact CG-CB 3.37Å; W154-W160 HydrophobicContact CG-CD2 4.21Å; W154-W160 AromaticContact CG-CG 3.68Å; W154-W160 HydrophobicContact CG-CG 3.68Å; W154-W160 HydrophobicContact CH2-CE3 4.44Å; W154-W160 HydrophobicContact CZ2-CD2 4.46Å; W154-W160 AromaticContact CZ2-CE3 3.68Å; W154-W160 HydrophobicContact CZ2-CE3 3.68Å; W154-W160 HydrophobicContact CZ2-CZ3 4.07Å; W154-W160 AromaticContact NE1-CD2 3.48Å; W154-W160 AromaticContact NE1-CE3 3.57Å; W154-W160 AromaticContact NE1-CG 3.77Å; G157-W160 PolarHBondContact O-N 3.34Å; W160-E163 PolarHBondContact O-N 2.76Å; W160-L164 HydrophobicContact CE3-CD2 4.32Å; W160-L164 HydrophobicContact CZ3-CD2 3.89Å; W160-L164 WeakPolarHBondContact O-CB 3.31Å; W160-L164 PolarHBondContact O-N 3.49Å; W160-I177 HydrophobicContact CH2-CD1 3.89Å; W160-I177 HydrophobicContact CH2-CG1 4.4Å; W160-I177 HydrophobicContact CZ2-CD1 4.04Å; W160-I177 HydrophobicContact CZ2-CG2 4.39Å; W160-F185 AromaticContact CE2-CE1 3.98Å; W160-F185 AromaticContact CZ2-CE1 3.67Å; W160-F185 HydrophobicContact CZ2-CE1 3.67Å; W160-F185 HydrophobicContact CZ2-CZ 4.38Å; W160-F185 AromaticContact NE1-CE1 3.95Å |
| 161 | L | 94.1 | Very high | 93.1 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.6 | -40.3 | -177.9 | -177.1 | 61.7 | 0 | 0 | 0 | 111.4 | S159 L164 Q165 F185 V190 F193 | S159-L161 PolarHBondContact O-N 3.41Å; S159-L161 VanDerWaalsContact O-N 3.08Å; L161-L164 PolarHBondContact O-N 3.01Å; L161-Q165 VanDerWaalsContact O-CB 3.3Å; L161-Q165 WeakPolarHBondContact O-CB 3.4Å; L161-Q165 WeakPolarHBondContact O-CG 3.38Å; L161-Q165 PolarHBondContact O-N 3.43Å; L161-F185 HydrophobicContact CB-CD1 4.05Å; L161-F185 HydrophobicContact CB-CE1 4.3Å; L161-F185 HydrophobicContact CD2-CD1 3.91Å; L161-F185 HydrophobicContact CD2-CD2 3.92Å; L161-F185 HydrophobicContact CD2-CE1 3.94Å; L161-F185 HydrophobicContact CD2-CE2 3.94Å; L161-F185 HydrophobicContact CD2-CG 3.92Å; L161-F185 HydrophobicContact CD2-CZ 3.96Å; L161-V190 HydrophobicContact CD2-CG1 4.44Å; L161-V190 HydrophobicContact CD2-CG2 4.35Å; L161-F193 HydrophobicContact CD1-CZ 4.1Å; L161-F193 HydrophobicContact CD2-CE2 4.4Å |
| 162 | A | 93.3 | Very high | 93.2 | Very high | 8 Ų | 8 | 36.4 Ų | 36.4 | 7% | 0.066 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68 | -37.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | S159 Q189 V190 | S159-A162 PolarHBondContact O-N 3.26Å; A162-Q189 HydrophobicContact CB-CB 3.59Å; A162-V190 HydrophobicContact CB-CG2 4.29Å |
| 163 | E | 93.1 | Very high | 93.2 | Very high | 32 Ų | 32 | 41.6 Ų | 41.6 | 15% | 0.15 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.1 | -48.6 | 174.2 | -71.6 | 168.9 | -137.8 | 0 | 0 | 111.4 | M132 T156 S159 W160 Q165 Q166 | M132-E163 HydrophobicContact CB-CB 4.25Å; M132-E163 HydrophobicContact CE-CB 3.44Å; M132-E163 VanDerWaalsContact CE-CB 3.44Å; M132-E163 HydrophobicContact SD-CB 4.21Å; T156-E163 WeakPolarHBondContact CB-OE1 3.29Å; T156-E163 VanDerWaalsContact CG2-OE1 3.3Å; T156-E163 WeakPolarHBondContact CG2-OE1 3.32Å; T156-E163 VanDerWaalsContact CG2-OE2 3.31Å; T156-E163 WeakPolarHBondContact CG2-OE2 3.35Å; T156-E163 PolarHBondContact OG1-OE1 2.91Å; T156-E163 VanDerWaalsContact OG1-OE1 3.14Å; T156-E163 PolarHBondContact OG1-OE2 2.81Å; S159-E163 PolarHBondContact O-N 3.09Å; S159-E163 VanDerWaalsContact O-N 3.12Å; S159-E163 PolarHBondContact OG-OE1 2.87Å; W160-E163 PolarHBondContact O-N 2.76Å; E163-Q165 VanDerWaalsContact C-N 3.28Å; E163-Q165 PolarHBondContact O-N 2.81Å; E163-Q166 VanDerWaalsContact O-CB 3.25Å; E163-Q166 WeakPolarHBondContact O-CB 3.45Å; E163-Q166 WeakPolarHBondContact O-CG 3.38Å; E163-Q166 PolarHBondContact O-N 2.91Å |
| 164 | L | 94.3 | Very high | 93.4 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.1 | -38.9 | 178.1 | -178.1 | 62.2 | 0 | 0 | 0 | 111.7 | L110 M132 L147 L149 W154 W160 L161 Q166 W167 L168 | L110-L164 HydrophobicContact CD1-CD1 4.02Å; M132-L164 HydrophobicContact CE-CB 4.18Å; M132-L164 HydrophobicContact SD-CB 4.5Å; L147-L164 HydrophobicContact CD2-CD2 3.92Å; L149-L164 HydrophobicContact CD1-CD2 4.49Å; W154-L164 HydrophobicContact CH2-CD1 4.36Å; W154-L164 HydrophobicContact CH2-CD2 4.11Å; W154-L164 HydrophobicContact CZ2-CD2 4.32Å; W160-L164 HydrophobicContact CE3-CD2 4.32Å; W160-L164 HydrophobicContact CZ3-CD2 3.89Å; W160-L164 WeakPolarHBondContact O-CB 3.31Å; W160-L164 PolarHBondContact O-N 3.49Å; L161-L164 PolarHBondContact O-N 3.01Å; L164-Q166 PolarHBondContact O-N 3.22Å; L164-Q166 VanDerWaalsContact O-N 3.08Å; L164-W167 PolarHBondContact O-N 3.19Å; L164-L168 HydrophobicContact CG-CD1 4.24Å |
| 165 | Q | 93.8 | Very high | 93.6 | Very high | 11 Ų | 11 | 40 Ų | 40 | 5% | 0.051 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -57.3 | -22 | 175.1 | -85.2 | -175.6 | -36.4 | 0 | 0 | 113.6 | L161 E163 W167 R191 F193 | L161-Q165 VanDerWaalsContact O-CB 3.3Å; L161-Q165 WeakPolarHBondContact O-CB 3.4Å; L161-Q165 WeakPolarHBondContact O-CG 3.38Å; L161-Q165 PolarHBondContact O-N 3.43Å; E163-Q165 VanDerWaalsContact C-N 3.28Å; E163-Q165 PolarHBondContact O-N 2.81Å; Q165-W167 PolarHBondContact O-N 3.48Å; Q165-R191 PolarHBondContact NE2-O 3Å; Q165-R191 PolarHBondContact O-NH2 3.06Å; Q165-F193 HydrophobicContact CG-CE1 3.98Å; Q165-F193 HydrophobicContact CG-CE2 4.34Å; Q165-F193 HydrophobicContact CG-CZ 3.6Å |
| 166 | Q | 92.8 | Very high | 93.9 | Very high | 64 Ų | 64 | 37.6 Ų | 37.6 | 30% | 0.299 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -63 | -29.5 | 173.6 | -58.6 | -176.5 | 18.3 | 0 | 0 | 112.2 | L135 E163 L164 | L135-Q166 HydrophobicContact CB-CB 4.3Å; L135-Q166 WeakPolarHBondContact CD2-O 3.46Å; E163-Q166 VanDerWaalsContact O-CB 3.25Å; E163-Q166 WeakPolarHBondContact O-CB 3.45Å; E163-Q166 WeakPolarHBondContact O-CG 3.38Å; E163-Q166 PolarHBondContact O-N 2.91Å; L164-Q166 PolarHBondContact O-N 3.22Å; L164-Q166 VanDerWaalsContact O-N 3.08Å |
| 167 | W | 93.7 | Very high | 94.5 | Very high | 5 Ų | 5 | 36.4 Ų | 36.4 | 2% | 0.019 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -99 | 4.6 | -173.8 | -59.5 | 94.8 | 0 | 0 | 0 | 113.3 | V107 L110 R111 P133 L135 G141 L142 L164 Q165 | V107-W167 HydrophobicContact CB-CZ2 4.3Å; V107-W167 HydrophobicContact CG1-CD2 3.95Å; V107-W167 HydrophobicContact CG1-CE3 3.88Å; V107-W167 HydrophobicContact CG1-CH2 3.19Å; V107-W167 HydrophobicContact CG1-CZ2 3.26Å; V107-W167 HydrophobicContact CG1-CZ3 3.52Å; V107-W167 HydrophobicContact CG2-CD2 4.13Å; V107-W167 HydrophobicContact CG2-CG 4.43Å; V107-W167 HydrophobicContact CG2-CZ2 4.04Å; L110-W167 HydrophobicContact CD1-CB 3.9Å; L110-W167 HydrophobicContact CD1-CG 4.41Å; R111-W167 HydrophobicContact CG-CE3 3.97Å; R111-W167 HydrophobicContact CG-CH2 4.35Å; R111-W167 HydrophobicContact CG-CZ3 3.4Å; R111-W167 VanDerWaalsContact CG-CZ3 3.4Å; P133-W167 HydrophobicContact CG-CZ2 4.41Å; P133-W167 VanDerWaalsContact O-CZ2 3.27Å; P133-W167 WeakPolarHBondContact O-CZ2 3.37Å; P133-W167 PolarHBondContact O-NE1 3.36Å; L135-W167 HydrophobicContact CB-CH2 4.46Å; L135-W167 HydrophobicContact CB-CZ2 4.36Å; L135-W167 HydrophobicContact CD1-CD2 3.94Å; L135-W167 HydrophobicContact CD1-CE3 3.34Å; L135-W167 HydrophobicContact CD1-CH2 3.71Å; L135-W167 HydrophobicContact CD1-CZ2 4.25Å; L135-W167 HydrophobicContact CD1-CZ3 3.21Å; L135-W167 HydrophobicContact CG-CZ3 4.48Å; G141-W167 CarbonylContact C-O 3.6Å; G141-W167 WeakPolarHBondContact CA-O 3.39Å; L142-W167 PolarHBondContact N-O 3.15Å; L164-W167 PolarHBondContact O-N 3.19Å; Q165-W167 PolarHBondContact O-N 3.48Å |
| 168 | L | 95.1 | Very high | 95 | Very high | 23 Ų | 23 | 35.4 Ų | 35.4 | 12% | 0.12 | 18% | 0.184 | C | C | . | . | B | Isolated β-bridge | trans | -114.2 | 142.1 | -177.8 | -60.3 | 177.9 | 0 | 0 | 0 | 111.7 | L142 L144 L147 L164 | L142-L168 HydrophobicContact CB-CD2 4.48Å; L144-L168 HydrophobicContact CD1-CD2 3.87Å; L144-L168 HydrophobicContact CG-CD2 4.46Å; L147-L168 HydrophobicContact CD2-CD1 3.91Å; L164-L168 HydrophobicContact CG-CD1 4.24Å |
| 169 | K | 94.5 | Very high | 95.4 | Very high | 90 Ų | 90 | 31.7 Ų | 31.7 | 39% | 0.391 | 17% | 0.174 | S | C | . | . | trans | -73.4 | 155.9 | 166.9 | -71.8 | -167.9 | -170.1 | -84.9 | 0 | 111.1 | G141 L142 A143 G171 | G141-K169 VanDerWaalsContact O-CE 3.25Å; G141-K169 WeakPolarHBondContact O-CE 3.19Å; G141-K169 WeakPolarHBondContact O-CG 3.29Å; L142-K169 PolarHBondContact O-N 3.02Å; A143-K169 HydrophobicContact CB-CD 3.74Å; A143-K169 HydrophobicContact CB-CG 4.43Å; K169-G171 PolarHBondContact O-N 3.03Å | ||
| 170 | P | 93.7 | Very high | 95.3 | Very high | 93 Ų | 93 | 31.6 Ų | 31.6 | 60% | 0.604 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -2.3 | -176.8 | 28.3 | -37.1 | 0 | 0 | 0 | 115.3 | L172 P194 | P170-L172 VanDerWaalsContact C-N 3.28Å; P170-L172 PolarHBondContact O-N 3.33Å; P170-P194 HydrophobicContact CB-CG 3.84Å |
| 171 | G | 95.6 | Very high | 94.9 | Very high | 39 Ų | 39 | 39.3 Ų | 39.3 | 40% | 0.402 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 8.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116 | L144 K169 K173 | L144-G171 CarbonylContact O-C 3.21Å; K169-G171 PolarHBondContact O-N 3.03Å; G171-K173 PolarHBondContact O-N 3.38Å |
| 172 | L | 98.3 | Very high | 94.3 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | trans | -63.3 | 125.2 | -178.8 | -170.5 | 71.2 | 0 | 0 | 0 | 111.1 | L144 L147 P170 L175 F193 A195 L196 | L144-L172 HydrophobicContact CB-CD1 3.84Å; L144-L172 WeakPolarHBondContact O-CA 3.17Å; L144-L172 PolarHBondContact O-N 3.03Å; L147-L172 HydrophobicContact CB-CD1 3.84Å; L147-L172 HydrophobicContact CB-CD2 4.29Å; P170-L172 VanDerWaalsContact C-N 3.28Å; P170-L172 PolarHBondContact O-N 3.33Å; L172-L175 HydrophobicContact CD2-CB 4.25Å; L172-L175 HydrophobicContact CD2-CD1 4.45Å; L172-F193 HydrophobicContact CD2-CD1 4.14Å; L172-F193 HydrophobicContact CD2-CE1 3.85Å; L172-A195 CarbonylContact O-C 3.56Å; L172-L196 HydrophobicContact CD2-CD1 4.14Å; L172-L196 HydrophobicContact CG-CD1 4.12Å; L172-L196 VanDerWaalsContact O-CA 3.29Å; L172-L196 WeakPolarHBondContact O-CA 3.19Å; L172-L196 PolarHBondContact O-N 3.08Å; L172-L196 VanDerWaalsContact O-N 3.15Å | ||
| 173 | K | 98.5 | Very high | 93.5 | Very high | 118 Ų | 118 | 41.9 Ų | 41.9 | 51% | 0.513 | 23% | 0.227 | S | C | . | . | trans | -103.2 | -34.7 | -177.9 | -62.5 | -177.1 | -179.7 | 179.2 | 0 | 113.4 | S145 G171 A195 T197 S198 | S145-K173 WeakPolarHBondContact O-CA 3.23Å; S145-K173 WeakPolarHBondContact O-CB 3.25Å; S145-K173 PolarHBondContact O-N 3.49Å; G171-K173 PolarHBondContact O-N 3.38Å; K173-A195 WeakPolarHBondContact CA-O 3.49Å; K173-T197 PolarHBondContact O-N 3.38Å; K173-T197 PolarHBondContact O-OG1 2.04Å; K173-S198 PolarHBondContact O-N 3.24Å | ||
| 174 | V | 98.8 | Very high | 93 | Very high | 36 Ų | 36 | 41.1 Ų | 41.1 | 22% | 0.218 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 129 | -177.2 | -177 | 0 | 0 | 0 | 0 | 109.5 | S145 S146 L147 S198 | S145-V174 PolarHBondContact O-N 2.86Å; S146-V174 WeakPolarHBondContact CA-O 3.31Å; L147-V174 PolarHBondContact N-O 2.86Å; V174-S198 WeakPolarHBondContact CA-O 3.2Å |
| 175 | L | 98.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 123.1 | 172.8 | 178.4 | 58.8 | 0 | 0 | 0 | 108.4 | L147 L172 I177 F193 L196 S198 L199 D200 | L147-L175 HydrophobicContact CB-CD1 4.18Å; L147-L175 HydrophobicContact CD2-CD1 4.02Å; L147-L175 HydrophobicContact CG-CD1 4.13Å; L147-L175 CarbonylContact O-C 3.6Å; L147-L175 WeakPolarHBondContact O-CA 3.32Å; L172-L175 HydrophobicContact CD2-CB 4.25Å; L172-L175 HydrophobicContact CD2-CD1 4.45Å; L175-I177 HydrophobicContact CD1-CD1 4.33Å; L175-I177 HydrophobicContact CD1-CG1 4.09Å; L175-I177 HydrophobicContact CD2-CD1 4.09Å; L175-I177 HydrophobicContact CG-CD1 4.12Å; L175-I177 HydrophobicContact CG-CG1 4.09Å; L175-F193 HydrophobicContact CD2-CE2 4.5Å; L175-F193 HydrophobicContact CD2-CZ 4.23Å; L175-L196 HydrophobicContact CB-CD1 3.61Å; L175-L196 HydrophobicContact CB-CD2 4.23Å; L175-S198 PolarHBondContact N-O 3.15Å; L175-L199 HydrophobicContact CB-CD1 4.06Å; L175-L199 HydrophobicContact CD2-CD1 4.01Å; L175-L199 HydrophobicContact CG-CD1 4.02Å; L175-L199 WeakPolarHBondContact O-CA 3.46Å; L175-D200 PolarHBondContact O-N 3.25Å |
| 176 | S | 98.5 | Very high | 92.6 | Very high | 16 Ų | 16 | 43.2 Ų | 43.2 | 11% | 0.112 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 127.7 | 176.4 | -168.7 | 0 | 0 | 0 | 0 | 109.1 | L147 R148 L149 D200 | L147-S176 PolarHBondContact O-N 3.29Å; R148-S176 CarbonylContact C-O 3.47Å; R148-S176 WeakPolarHBondContact CA-O 3.41Å; L149-S176 PolarHBondContact N-O 3.09Å; S176-D200 CarbonylContact C-O 3.13Å; S176-D200 VanDerWaalsContact CA-O 3.3Å; S176-D200 WeakPolarHBondContact CA-O 2.97Å |
| 177 | I | 97.9 | Very high | 92.6 | Very high | 6 Ų | 6 | 41.4 Ų | 41.4 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 110.5 | 179.5 | -53.5 | 172.5 | 0 | 0 | 0 | 107.6 | L149 W160 L175 A180 F185 D200 L201 N204 | L149-I177 HydrophobicContact CD1-CG1 4.45Å; L149-I177 CarbonylContact O-C 3.26Å; L149-I177 WeakPolarHBondContact O-CA 3.26Å; W160-I177 HydrophobicContact CH2-CD1 3.89Å; W160-I177 HydrophobicContact CH2-CG1 4.4Å; W160-I177 HydrophobicContact CZ2-CD1 4.04Å; W160-I177 HydrophobicContact CZ2-CG2 4.39Å; L175-I177 HydrophobicContact CD1-CD1 4.33Å; L175-I177 HydrophobicContact CD1-CG1 4.09Å; L175-I177 HydrophobicContact CD2-CD1 4.09Å; L175-I177 HydrophobicContact CG-CD1 4.12Å; L175-I177 HydrophobicContact CG-CG1 4.09Å; I177-A180 HydrophobicContact CG2-CB 3.88Å; I177-F185 HydrophobicContact CD1-CE1 4.47Å; I177-F185 HydrophobicContact CD1-CZ 3.78Å; I177-D200 PolarHBondContact N-O 3.49Å; I177-L201 HydrophobicContact CB-CD2 4.1Å; I177-L201 HydrophobicContact CD1-CD2 4.2Å; I177-L201 HydrophobicContact CG1-CD2 4.49Å; I177-L201 WeakPolarHBondContact O-CA 3.39Å; I177-N204 PolarHBondContact O-ND2 2.8Å |
| 178 | A | 97.9 | Very high | 92.5 | Very high | 10 Ų | 10 | 50 Ų | 50 | 8% | 0.083 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 145.9 | -180 | 0 | 0 | 0 | 0 | 0 | 110.7 | L149 R150 N151 A180 S202 D203 | L149-A178 PolarHBondContact O-N 2.88Å; R150-A178 WeakPolarHBondContact CA-O 3.27Å; R150-A178 HydrophobicContact CB-CB 4.39Å; R150-A178 HydrophobicContact CG-CB 4.16Å; N151-A178 PolarHBondContact N-O 3.32Å; A178-A180 VanDerWaalsContact C-N 3.26Å; A178-A180 PolarHBondContact O-N 2.62Å; A178-S202 WeakPolarHBondContact CA-O 3.31Å; A178-S202 WeakPolarHBondContact CB-O 3.29Å; A178-D203 HydrophobicContact CB-CB 4.19Å |
| 179 | Q | 95.8 | Very high | 92.3 | Very high | 73 Ų | 73 | 54.3 Ų | 54.3 | 34% | 0.341 | 29% | 0.294 | S | S | . | . | S | Bend | trans | 50.9 | 43.9 | 178.1 | -60.4 | 173.9 | 39.2 | 0 | 0 | 113 | R150 N151 D203 N204 | R150-Q179 VanDerWaalsContact CZ-NE2 3.33Å; N151-Q179 HydrophobicContact CB-CB 4.11Å; Q179-D203 WeakPolarHBondContact CA-O 3.17Å; Q179-D203 HydrophobicContact CG-CB 4.4Å; Q179-D203 WeakPolarHBondContact CG-O 3.44Å; Q179-D203 PolarHBondContact N-O 3.49Å; Q179-N204 PolarHBondContact N-OD1 2.92Å |
| 180 | A | 90.8 | Very high | 92.3 | Very high | 20 Ų | 20 | 50.2 Ų | 50.2 | 17% | 0.165 | 28% | 0.277 | C | S | . | . | trans | -73.7 | 132.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | I177 A178 S182 P183 N204 | I177-A180 HydrophobicContact CG2-CB 3.88Å; A178-A180 VanDerWaalsContact C-N 3.26Å; A178-A180 PolarHBondContact O-N 2.62Å; A180-S182 PolarHBondContact O-N 2.67Å; A180-P183 HydrophobicContact CB-CB 4.39Å; A180-N204 PolarHBondContact N-OD1 3.04Å | ||
| 181 | H | 83.9 | Confident | 92.3 | Very high | 170 Ų | 170 | 52.3 Ų | 52.3 | 79% | 0.787 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -64 | -29.7 | 174.6 | -169.7 | -74.7 | 0 | 0 | 0 | 112.4 | ||
| 182 | S | 80.8 | Confident | 92.3 | Very high | 31 Ų | 31 | 53 Ų | 53 | 22% | 0.217 | 28% | 0.275 | C | S | . | . | trans | -138.4 | 99.6 | 171.5 | -153.8 | 0 | 0 | 0 | 0 | 110.1 | A180 A184 | A180-S182 PolarHBondContact O-N 2.67Å; S182-A184 VanDerWaalsContact C-N 3.26Å; S182-A184 PolarHBondContact O-N 2.82Å | ||
| 183 | P | 77.9 | Confident | 92.3 | Very high | 33 Ų | 33 | 53.5 Ų | 53.5 | 21% | 0.214 | 28% | 0.277 | C | S | . | . | trans | -80.9 | -4.9 | -177.2 | 33.1 | -36.2 | 0 | 0 | 0 | 113.4 | A180 L207 A215 | A180-P183 HydrophobicContact CB-CB 4.39Å; P183-L207 HydrophobicContact CB-CD1 3.98Å; P183-L207 HydrophobicContact CG-CD1 4.18Å; P183-A215 WeakPolarHBondContact O-CB 3.3Å | ||
| 184 | A | 82.1 | Confident | 92.2 | Very high | 16 Ų | 16 | 51.1 Ų | 51.1 | 13% | 0.132 | 27% | 0.274 | C | S | . | . | trans | -91.2 | 133.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | R158 S182 A214 | R158-A184 WeakPolarHBondContact CB-O 3.47Å; R158-A184 WeakPolarHBondContact CG-O 3.41Å; S182-A184 VanDerWaalsContact C-N 3.26Å; S182-A184 PolarHBondContact O-N 2.82Å; A184-A214 HydrophobicContact CB-CB 3.94Å | ||
| 185 | F | 88.6 | Confident | 92.1 | Very high | 18 Ų | 18 | 50.9 Ų | 50.9 | 8% | 0.079 | 28% | 0.275 | C | S | . | . | trans | -104.2 | 151.7 | -176.9 | -51.5 | -53.8 | 0 | 0 | 0 | 112.6 | W160 L161 I177 C187 V190 A214 A215 | W160-F185 AromaticContact CE2-CE1 3.98Å; W160-F185 AromaticContact CZ2-CE1 3.67Å; W160-F185 HydrophobicContact CZ2-CE1 3.67Å; W160-F185 HydrophobicContact CZ2-CZ 4.38Å; W160-F185 AromaticContact NE1-CE1 3.95Å; L161-F185 HydrophobicContact CB-CD1 4.05Å; L161-F185 HydrophobicContact CB-CE1 4.3Å; L161-F185 HydrophobicContact CD2-CD1 3.91Å; L161-F185 HydrophobicContact CD2-CD2 3.92Å; L161-F185 HydrophobicContact CD2-CE1 3.94Å; L161-F185 HydrophobicContact CD2-CE2 3.94Å; L161-F185 HydrophobicContact CD2-CG 3.92Å; L161-F185 HydrophobicContact CD2-CZ 3.96Å; I177-F185 HydrophobicContact CD1-CE1 4.47Å; I177-F185 HydrophobicContact CD1-CZ 3.78Å; F185-C187 PolarHBondContact O-N 2.63Å; F185-V190 HydrophobicContact CB-CG2 4.21Å; F185-A214 PolarHBondContact N-O 2.98Å; F185-A215 VanDerWaalsContact CD2-O 3.22Å; F185-A215 WeakPolarHBondContact CD2-O 3.41Å; F185-A215 HydrophobicContact CE2-CB 4.19Å; F185-A215 WeakPolarHBondContact CE2-O 3.43Å | ||
| 186 | S | 91.6 | Very high | 92.1 | Very high | 43 Ų | 43 | 50.9 Ų | 50.9 | 30% | 0.301 | 28% | 0.275 | S | S | . | . | trans | -74.9 | 77.3 | 165.2 | -65.7 | 0 | 0 | 0 | 0 | 110.2 | R158 E188 Q189 V190 | R158-S186 PolarHBondContact O-N 2.85Å; S186-E188 PolarHBondContact O-N 3Å; S186-Q189 PolarHBondContact O-N 2.92Å; S186-V190 PolarHBondContact O-N 3.38Å | ||
| 187 | C | 91.5 | Very high | 92.1 | Very high | 26 Ų | 26 | 52 Ų | 52 | 18% | 0.176 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -23.9 | -169.1 | -68.9 | 0 | 0 | 0 | 0 | 116.1 | F185 Q189 V190 C217 K220 | F185-C187 PolarHBondContact O-N 2.63Å; C187-Q189 VanDerWaalsContact C-N 3.26Å; C187-Q189 PolarHBondContact O-N 3.33Å; C187-V190 PolarHBondContact O-N 2.94Å; C187-C217 WeakPolarHBondContact CA-SG 3.36Å; C187-C217 HydrophobicContact CB-CB 3.57Å; C187-C217 WeakPolarHBondContact CB-SG 3.33Å; C187-C217 WeakPolarHBondContact SG-CA 3.4Å; C187-C217 WeakPolarHBondContact SG-CB 3.45Å; C187-C217 CovalentContact SG-SG 2.05Å; C187-C217 PolarHBondContact SG-SG 3.14Å; C187-K220 WeakPolarHBondContact O-CE 3.48Å |
| 188 | E | 91.8 | Very high | 92.1 | Very high | 186 Ų | 186 | 53.1 Ų | 53.1 | 87% | 0.869 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -35.1 | 174 | -60.6 | -56.2 | 153.1 | 0 | 0 | 112.4 | S186 | S186-E188 PolarHBondContact O-N 3Š|
| 189 | Q | 91.9 | Very high | 92.1 | Very high | 113 Ų | 113 | 52.9 Ų | 52.9 | 53% | 0.528 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -23.3 | -177.5 | -61.1 | 173.5 | -1.2 | 0 | 0 | 112.3 | S159 A162 S186 C187 R191 | S159-Q189 VanDerWaalsContact CB-OE1 3.3Å; A162-Q189 HydrophobicContact CB-CB 3.59Å; S186-Q189 PolarHBondContact O-N 2.92Å; C187-Q189 VanDerWaalsContact C-N 3.26Å; C187-Q189 PolarHBondContact O-N 3.33Å; Q189-R191 PolarHBondContact O-N 3.08Å |
| 190 | V | 94.1 | Very high | 92.3 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -69 | 127.9 | -179.3 | 175.6 | 0 | 0 | 0 | 0 | 109.6 | L161 A162 F185 S186 C187 F193 K220 | L161-V190 HydrophobicContact CD2-CG1 4.44Å; L161-V190 HydrophobicContact CD2-CG2 4.35Å; A162-V190 HydrophobicContact CB-CG2 4.29Å; F185-V190 HydrophobicContact CB-CG2 4.21Å; S186-V190 PolarHBondContact O-N 3.38Å; C187-V190 PolarHBondContact O-N 2.94Å; V190-F193 HydrophobicContact CG1-CE2 4.37Å; V190-K220 HydrophobicContact CG1-CG 4.35Å; V190-K220 WeakPolarHBondContact O-CD 3.33Å; V190-K220 WeakPolarHBondContact O-CE 3.45Å; V190-K220 PolarHBondContact O-NZ 2.74Å |
| 191 | R | 94.3 | Very high | 92.6 | Very high | 137 Ų | 137 | 49.7 Ų | 49.7 | 52% | 0.517 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -84.4 | 158.2 | 173.3 | -68.3 | -176.8 | -70.7 | 176.1 | 5.8 | 110.3 | Q165 Q189 | Q165-R191 PolarHBondContact NE2-O 3Å; Q165-R191 PolarHBondContact O-NH2 3.06Å; Q189-R191 PolarHBondContact O-N 3.08Å |
| 192 | A | 95.4 | Very high | 93.3 | Very high | 54 Ų | 54 | 41.7 Ų | 41.7 | 45% | 0.446 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -65.6 | 143.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111 | P194 K220 | A192-P194 VanDerWaalsContact O-CD 3.24Å; A192-P194 WeakPolarHBondContact O-CD 3.32Å; A192-K220 CarbonylContact C-O 3.55Å; A192-K220 WeakPolarHBondContact CA-O 3.25Å |
| 193 | F | 96.8 | Very high | 94.1 | Very high | 13 Ų | 13 | 43.2 Ų | 43.2 | 6% | 0.057 | 24% | 0.238 | C | C | . | . | trans | -100.8 | 92 | 169.3 | -68.6 | -86.5 | 0 | 0 | 0 | 109.4 | L161 Q165 L172 L175 V190 A195 L196 K220 F221 | L161-F193 HydrophobicContact CD1-CZ 4.1Å; L161-F193 HydrophobicContact CD2-CE2 4.4Å; Q165-F193 HydrophobicContact CG-CE1 3.98Å; Q165-F193 HydrophobicContact CG-CE2 4.34Å; Q165-F193 HydrophobicContact CG-CZ 3.6Å; L172-F193 HydrophobicContact CD2-CD1 4.14Å; L172-F193 HydrophobicContact CD2-CE1 3.85Å; L175-F193 HydrophobicContact CD2-CE2 4.5Å; L175-F193 HydrophobicContact CD2-CZ 4.23Å; V190-F193 HydrophobicContact CG1-CE2 4.37Å; F193-A195 VanDerWaalsContact C-N 3.32Å; F193-A195 PolarHBondContact O-N 3.04Å; F193-L196 HydrophobicContact CB-CB 3.64Å; F193-L196 HydrophobicContact CB-CD2 4.35Å; F193-L196 HydrophobicContact CG-CB 4.49Å; F193-L196 PolarHBondContact O-N 3.17Å; F193-K220 PolarHBondContact N-O 2.9Å; F193-F221 HydrophobicContact CB-CD1 4.37Å; F193-F221 AromaticContact CD2-CD1 3.94Å; F193-F221 HydrophobicContact CD2-CD1 3.94Å; F193-F221 AromaticContact CD2-CE1 3.47Å; F193-F221 HydrophobicContact CD2-CE1 3.47Å; F193-F221 VanDerWaalsContact CD2-CE1 3.47Å; F193-F221 HydrophobicContact CD2-CZ 4.4Å; F193-F221 AromaticContact CE2-CE1 3.87Å; F193-F221 HydrophobicContact CE2-CE1 3.87Å; F193-F221 HydrophobicContact CG-CE1 4.41Å | ||
| 194 | P | 96.3 | Very high | 95 | Very high | 69 Ų | 69 | 42 Ų | 42 | 45% | 0.448 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -28 | -168.9 | 28.5 | -35.9 | 0 | 0 | 0 | 113.4 | P170 A192 A223 | P170-P194 HydrophobicContact CB-CG 3.84Å; A192-P194 VanDerWaalsContact O-CD 3.24Å; A192-P194 WeakPolarHBondContact O-CD 3.32Å; P194-A223 VanDerWaalsContact O-CB 3.27Å; P194-A223 WeakPolarHBondContact O-CB 3.32Å |
| 195 | A | 97.6 | Very high | 95.6 | Very high | 31 Ų | 31 | 45.3 Ų | 45.3 | 26% | 0.256 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 2.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L172 K173 F193 T197 | L172-A195 CarbonylContact O-C 3.56Å; K173-A195 WeakPolarHBondContact CA-O 3.49Å; F193-A195 VanDerWaalsContact C-N 3.32Å; F193-A195 PolarHBondContact O-N 3.04Å; A195-T197 PolarHBondContact O-N 3.15Å |
| 196 | L | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -74.5 | 112.1 | -174.4 | -167.3 | 81.7 | 0 | 0 | 0 | 110.4 | L172 L175 F193 L199 F221 A223 L224 | L172-L196 HydrophobicContact CD2-CD1 4.14Å; L172-L196 HydrophobicContact CG-CD1 4.12Å; L172-L196 VanDerWaalsContact O-CA 3.29Å; L172-L196 WeakPolarHBondContact O-CA 3.19Å; L172-L196 PolarHBondContact O-N 3.08Å; L172-L196 VanDerWaalsContact O-N 3.15Å; L175-L196 HydrophobicContact CB-CD1 3.61Å; L175-L196 HydrophobicContact CB-CD2 4.23Å; F193-L196 HydrophobicContact CB-CB 3.64Å; F193-L196 HydrophobicContact CB-CD2 4.35Å; F193-L196 HydrophobicContact CG-CB 4.49Å; F193-L196 PolarHBondContact O-N 3.17Å; L196-L199 HydrophobicContact CD2-CB 4.32Å; L196-L199 HydrophobicContact CD2-CD1 4.46Å; L196-F221 HydrophobicContact CD2-CD1 3.57Å; L196-F221 HydrophobicContact CD2-CE1 3.88Å; L196-A223 CarbonylContact O-C 3.32Å; L196-L224 HydrophobicContact CD2-CD1 4.49Å; L196-L224 WeakPolarHBondContact O-CA 3.4Å; L196-L224 PolarHBondContact O-N 3.33Å | ||
| 197 | T | 98.4 | Very high | 95.9 | Very high | 41 Ų | 41 | 46.4 Ų | 46.4 | 25% | 0.252 | 27% | 0.272 | S | S | . | . | trans | -103.9 | -24.6 | -177.9 | 58.8 | 0 | 0 | 0 | 0 | 112.4 | K173 A195 Q225 N226 | K173-T197 PolarHBondContact O-N 3.38Å; K173-T197 PolarHBondContact O-OG1 2.04Å; A195-T197 PolarHBondContact O-N 3.15Å; T197-Q225 WeakPolarHBondContact O-CA 3.49Å; T197-Q225 PolarHBondContact O-N 3.31Å; T197-N226 PolarHBondContact O-N 2.79Å | ||
| 198 | S | 98.7 | Very high | 96 | Very high | 29 Ų | 29 | 46 Ų | 46 | 20% | 0.203 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 125.6 | 179 | -165.8 | 0 | 0 | 0 | 0 | 110.8 | K173 V174 L175 N226 | K173-S198 PolarHBondContact O-N 3.24Å; V174-S198 WeakPolarHBondContact CA-O 3.2Å; L175-S198 PolarHBondContact N-O 3.15Å; S198-N226 WeakPolarHBondContact CA-O 3.01Å |
| 199 | L | 98.6 | Very high | 96.1 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 120.2 | 172.5 | 179.8 | 60.3 | 0 | 0 | 0 | 108.4 | L175 L196 L201 L216 F221 L224 N226 L227 A228 | L175-L199 HydrophobicContact CB-CD1 4.06Å; L175-L199 HydrophobicContact CD2-CD1 4.01Å; L175-L199 HydrophobicContact CG-CD1 4.02Å; L175-L199 WeakPolarHBondContact O-CA 3.46Å; L196-L199 HydrophobicContact CD2-CB 4.32Å; L196-L199 HydrophobicContact CD2-CD1 4.46Å; L199-L201 HydrophobicContact CD1-CD2 4.05Å; L199-L201 HydrophobicContact CD1-CG 4.3Å; L199-L201 HydrophobicContact CD2-CD1 4.22Å; L199-L201 HydrophobicContact CD2-CG 4.38Å; L199-L201 HydrophobicContact CG-CD1 4.43Å; L199-L201 HydrophobicContact CG-CD2 4.35Å; L199-L201 HydrophobicContact CG-CG 4.07Å; L199-L216 HydrophobicContact CD2-CD2 3.65Å; L199-F221 HydrophobicContact CD2-CZ 4.5Å; L199-L224 HydrophobicContact CB-CD1 3.52Å; L199-L224 HydrophobicContact CB-CD2 4.3Å; L199-N226 PolarHBondContact N-O 2.95Å; L199-L227 HydrophobicContact CB-CD1 4.16Å; L199-L227 HydrophobicContact CD2-CD1 4.21Å; L199-L227 HydrophobicContact CG-CD1 4.19Å; L199-L227 WeakPolarHBondContact O-CA 3.47Å; L199-A228 PolarHBondContact O-N 3Å |
| 200 | D | 98.7 | Very high | 95.9 | Very high | 21 Ų | 21 | 44.1 Ų | 44.1 | 11% | 0.112 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 112.8 | 176.9 | -166.1 | -19.6 | 0 | 0 | 0 | 108.9 | L175 S176 I177 S202 A228 R230 | L175-D200 PolarHBondContact O-N 3.25Å; S176-D200 CarbonylContact C-O 3.13Å; S176-D200 VanDerWaalsContact CA-O 3.3Å; S176-D200 WeakPolarHBondContact CA-O 2.97Å; I177-D200 PolarHBondContact N-O 3.49Å; D200-S202 WeakPolarHBondContact OD1-CB 3.4Å; D200-S202 PolarHBondContact OD1-N 2.75Å; D200-S202 PolarHBondContact OD1-OG 2.55Å; D200-A228 HydrophobicContact CB-CB 4.13Å; D200-A228 WeakPolarHBondContact OD1-CB 3.49Å; D200-R230 IonicContact OD1-NH2 3.74Å; D200-R230 IonicContact OD2-CZ 2.81Å; D200-R230 IonicContact OD2-NH1 2.74Å; D200-R230 IonicContact OD2-NH2 3.15Å; D200-R230 PolarHBondContact OD2-NH2 2.94Å |
| 201 | L | 98.1 | Very high | 95.9 | Very high | 6 Ų | 6 | 45 Ų | 45 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | trans | -110.5 | 22.2 | 175.3 | -58.3 | 171.6 | 0 | 0 | 0 | 110.6 | I177 L199 N204 L207 L212 A215 A228 L229 T232 | I177-L201 HydrophobicContact CB-CD2 4.1Å; I177-L201 HydrophobicContact CD1-CD2 4.2Å; I177-L201 HydrophobicContact CG1-CD2 4.49Å; I177-L201 WeakPolarHBondContact O-CA 3.39Å; L199-L201 HydrophobicContact CD1-CD2 4.05Å; L199-L201 HydrophobicContact CD1-CG 4.3Å; L199-L201 HydrophobicContact CD2-CD1 4.22Å; L199-L201 HydrophobicContact CD2-CG 4.38Å; L199-L201 HydrophobicContact CG-CD1 4.43Å; L199-L201 HydrophobicContact CG-CD2 4.35Å; L199-L201 HydrophobicContact CG-CG 4.07Å; L201-N204 PolarHBondContact O-ND2 3.12Å; L201-L207 HydrophobicContact CB-CD2 4.23Å; L201-L207 HydrophobicContact CD1-CD2 4.29Å; L201-L212 HydrophobicContact CD1-CD1 4.26Å; L201-A215 HydrophobicContact CD1-CB 4.17Å; L201-A228 PolarHBondContact N-O 3.03Å; L201-L229 HydrophobicContact CB-CD2 3.98Å; L201-L229 HydrophobicContact CD1-CD2 4.1Å; L201-L229 HydrophobicContact CG-CD2 4.48Å; L201-T232 WeakPolarHBondContact O-CG2 3.34Å | ||
| 202 | S | 98.4 | Very high | 95.9 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.014 | 24% | 0.238 | C | C | . | . | trans | -61.5 | 157.6 | -179.2 | -56.6 | 0 | 0 | 0 | 0 | 112.2 | A178 D200 N204 R230 | A178-S202 WeakPolarHBondContact CA-O 3.31Å; A178-S202 WeakPolarHBondContact CB-O 3.29Å; D200-S202 WeakPolarHBondContact OD1-CB 3.4Å; D200-S202 PolarHBondContact OD1-N 2.75Å; D200-S202 PolarHBondContact OD1-OG 2.55Å; S202-N204 VanDerWaalsContact C-N 3.33Å; S202-N204 PolarHBondContact O-N 3.47Å; S202-N204 PolarHBondContact O-ND2 3.09Å; S202-R230 CarbonylContact C-O 3.56Å; S202-R230 WeakPolarHBondContact CA-O 3.19Å; S202-R230 WeakPolarHBondContact CB-O 3.37Å; S202-R230 WeakPolarHBondContact OG-CB 3.27Å; S202-R230 PolarHBondContact OG-N 2.88Å; S202-R230 VanDerWaalsContact OG-N 3.09Å; S202-R230 PolarHBondContact OG-NE 2.92Å; S202-R230 PolarHBondContact OG-NH2 2.93Å; S202-R230 VanDerWaalsContact OG-NH2 3.12Å | ||
| 203 | D | 97.7 | Very high | 95.7 | Very high | 62 Ų | 62 | 39.3 Ų | 39.3 | 33% | 0.332 | 24% | 0.235 | S | C | . | . | S | Bend | trans | 60.6 | 40 | 179.8 | -57.7 | -47.9 | 0 | 0 | 0 | 113.6 | A178 Q179 R230 N231 | A178-D203 HydrophobicContact CB-CB 4.19Å; Q179-D203 WeakPolarHBondContact CA-O 3.17Å; Q179-D203 HydrophobicContact CG-CB 4.4Å; Q179-D203 WeakPolarHBondContact CG-O 3.44Å; Q179-D203 PolarHBondContact N-O 3.49Å; D203-R230 PolarHBondContact N-O 2.8Å; D203-N231 PolarHBondContact OD1-ND2 2.88Å |
| 204 | N | 96.9 | Very high | 95.4 | Very high | 7 Ų | 7 | 40.5 Ų | 40.5 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | trans | -120.8 | 73.4 | 168.7 | -66.5 | -75.6 | 0 | 0 | 0 | 109.3 | I177 Q179 A180 L201 S202 G206 L207 N231 T232 | I177-N204 PolarHBondContact O-ND2 2.8Å; Q179-N204 PolarHBondContact N-OD1 2.92Å; A180-N204 PolarHBondContact N-OD1 3.04Å; L201-N204 PolarHBondContact O-ND2 3.12Å; S202-N204 VanDerWaalsContact C-N 3.33Å; S202-N204 PolarHBondContact O-N 3.47Å; S202-N204 PolarHBondContact O-ND2 3.09Å; N204-G206 PolarHBondContact O-N 3.43Å; N204-L207 HydrophobicContact CB-CB 4.09Å; N204-L207 VanDerWaalsContact O-CB 3.23Å; N204-L207 WeakPolarHBondContact O-CB 3.42Å; N204-L207 PolarHBondContact O-N 3.27Å; N204-N231 CarbonylContact C-O 3.43Å; N204-N231 PolarHBondContact N-O 2.81Å; N204-T232 HydrophobicContact CB-CG2 4.46Å; N204-T232 CarbonylContact O-C 3.53Å; N204-T232 VanDerWaalsContact O-CA 3.27Å; N204-T232 WeakPolarHBondContact O-CA 3.42Å | ||
| 205 | P | 94.3 | Very high | 95.3 | Very high | 87 Ų | 87 | 37.3 Ų | 37.3 | 57% | 0.565 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | -22.3 | -169.4 | 22.9 | -34.5 | 0 | 0 | 0 | 114.1 | ||
| 206 | G | 91.4 | Very high | 95.2 | Very high | 77 Ų | 77 | 35.8 Ų | 35.8 | 79% | 0.794 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | 4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | N204 | N204-G206 PolarHBondContact O-N 3.43Š|
| 207 | L | 95 | Very high | 94.9 | Very high | 7 Ų | 7 | 35.8 Ų | 35.8 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | trans | -68.1 | -58.5 | -177.6 | 178 | 64.2 | 0 | 0 | 0 | 111.2 | P183 L201 N204 G211 L212 A215 L229 T232 M234 | P183-L207 HydrophobicContact CB-CD1 3.98Å; P183-L207 HydrophobicContact CG-CD1 4.18Å; L201-L207 HydrophobicContact CB-CD2 4.23Å; L201-L207 HydrophobicContact CD1-CD2 4.29Å; N204-L207 HydrophobicContact CB-CB 4.09Å; N204-L207 VanDerWaalsContact O-CB 3.23Å; N204-L207 WeakPolarHBondContact O-CB 3.42Å; N204-L207 PolarHBondContact O-N 3.27Å; L207-G211 VanDerWaalsContact CD1-C 3.42Å; L207-G211 WeakPolarHBondContact O-CA 3.4Å; L207-G211 PolarHBondContact O-N 2.91Å; L207-G211 VanDerWaalsContact O-N 3.14Å; L207-L212 HydrophobicContact CD2-CD1 4.24Å; L207-A215 HydrophobicContact CD1-CB 4.02Å; L207-L229 HydrophobicContact CD2-CD2 4.45Å; L207-T232 HydrophobicContact CD2-CG2 4.14Å; L207-M234 HydrophobicContact CD2-CE 3.91Å; L207-M234 HydrophobicContact CG-CE 4.03Å | ||
| 208 | G | 94 | Very high | 94.6 | Very high | 17 Ų | 17 | 36.8 Ų | 36.8 | 18% | 0.175 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | 56.9 | 178.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | R210 G211 L212 T232 M234 | G208-R210 VanDerWaalsContact C-N 3.34Å; G208-R210 PolarHBondContact O-N 3.23Å; G208-G211 PolarHBondContact O-N 3.46Å; G208-L212 WeakPolarHBondContact O-CB 3.05Å; G208-L212 PolarHBondContact O-N 3.22Å; G208-T232 PolarHBondContact N-O 2.82Å; G208-M234 WeakPolarHBondContact O-CE 3.39Å |
| 209 | E | 92.3 | Very high | 94.1 | Very high | 32 Ų | 32 | 43 Ų | 43 | 15% | 0.15 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.2 | -34.9 | -175.1 | -61.7 | 172.3 | 175 | 0 | 0 | 112.5 | M234 E235 T236 G239 N266 | E209-M234 HydrophobicContact CG-SD 3.98Å; E209-E235 PolarHBondContact OE1-N 2.85Å; E209-T236 PolarHBondContact OE1-N 2.95Å; E209-T236 PolarHBondContact OE1-OG1 2.95Å; E209-T236 VanDerWaalsContact OE1-OG1 3.08Å; E209-G239 WeakPolarHBondContact OE2-CA 3.45Å; E209-N266 PolarHBondContact OE2-ND2 3.18Å |
| 210 | R | 89.6 | Confident | 93.9 | Very high | 228 Ų | 228 | 45.3 Ų | 45.3 | 86% | 0.86 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -73.9 | -42.6 | 177.7 | -66.8 | -175.1 | -177.3 | -167.6 | 1.3 | 112.4 | G208 L212 I213 | G208-R210 VanDerWaalsContact C-N 3.34Å; G208-R210 PolarHBondContact O-N 3.23Å; R210-L212 VanDerWaalsContact C-N 3.26Å; R210-L212 PolarHBondContact O-N 3.25Å; R210-I213 PolarHBondContact O-N 2.95Å |
| 211 | G | 92.5 | Very high | 93.8 | Very high | 21 Ų | 21 | 44.9 Ų | 44.9 | 22% | 0.216 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.6 | -30.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L207 G208 I213 A214 A215 | L207-G211 VanDerWaalsContact CD1-C 3.42Å; L207-G211 WeakPolarHBondContact O-CA 3.4Å; L207-G211 PolarHBondContact O-N 2.91Å; L207-G211 VanDerWaalsContact O-N 3.14Å; G208-G211 PolarHBondContact O-N 3.46Å; G211-I213 VanDerWaalsContact C-N 3.28Å; G211-I213 PolarHBondContact O-N 2.84Å; G211-A214 CarbonylContact O-C 3.54Å; G211-A214 WeakPolarHBondContact O-CA 3.13Å; G211-A214 PolarHBondContact O-N 2.79Å; G211-A215 PolarHBondContact O-N 2.84Å |
| 212 | L | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.9 | -40.5 | 173.7 | -175.3 | 62.4 | 0 | 0 | 0 | 112.6 | L201 L207 G208 R210 A214 A215 L216 L229 M234 V240 A243 | L201-L212 HydrophobicContact CD1-CD1 4.26Å; L207-L212 HydrophobicContact CD2-CD1 4.24Å; G208-L212 WeakPolarHBondContact O-CB 3.05Å; G208-L212 PolarHBondContact O-N 3.22Å; R210-L212 VanDerWaalsContact C-N 3.26Å; R210-L212 PolarHBondContact O-N 3.25Å; L212-A214 VanDerWaalsContact C-N 3.28Å; L212-A214 PolarHBondContact O-N 3.1Å; L212-A215 PolarHBondContact O-N 3.4Å; L212-L216 HydrophobicContact CD1-CD1 3.73Å; L212-L216 HydrophobicContact CD1-CG 3.86Å; L212-L216 HydrophobicContact CD2-CD1 4.45Å; L212-L216 HydrophobicContact CG-CD1 3.84Å; L212-L216 HydrophobicContact CG-CG 4.27Å; L212-L216 WeakPolarHBondContact O-CB 3.36Å; L212-L216 WeakPolarHBondContact O-CG 3.48Å; L212-L216 PolarHBondContact O-N 3.01Å; L212-L229 HydrophobicContact CD1-CD1 4.02Å; L212-L229 HydrophobicContact CD1-CD2 3.68Å; L212-L229 HydrophobicContact CD2-CD1 3.74Å; L212-M234 HydrophobicContact CB-CE 4.14Å; L212-M234 HydrophobicContact CD2-CE 4.26Å; L212-M234 HydrophobicContact CD2-SD 4.29Å; L212-V240 HydrophobicContact CD2-CG1 4.22Å; L212-A243 HydrophobicContact CB-CB 4.45Å; L212-A243 HydrophobicContact CD2-CB 3.97Å; L212-A243 HydrophobicContact CG-CB 4.4Å |
| 213 | I | 91.9 | Very high | 93.5 | Very high | 72 Ų | 72 | 50.6 Ų | 50.6 | 37% | 0.369 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.9 | -39.3 | 176.2 | -58.5 | 170.9 | 0 | 0 | 0 | 110.6 | R210 G211 A243 A246 | R210-I213 PolarHBondContact O-N 2.95Å; G211-I213 VanDerWaalsContact C-N 3.28Å; G211-I213 PolarHBondContact O-N 2.84Å; I213-A243 HydrophobicContact CD1-CB 4.23Å; I213-A243 HydrophobicContact CG1-CB 3.66Å; I213-A246 HydrophobicContact CD1-CB 4.27Å; I213-A246 HydrophobicContact CG1-CB 4.43Å; I213-A246 HydrophobicContact CG2-CB 4.42Å |
| 214 | A | 90.9 | Very high | 93.5 | Very high | 38 Ų | 38 | 48.1 Ų | 48.1 | 31% | 0.314 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -76.9 | -22.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | A184 F185 G211 L212 | A184-A214 HydrophobicContact CB-CB 3.94Å; F185-A214 PolarHBondContact N-O 2.98Å; G211-A214 CarbonylContact O-C 3.54Å; G211-A214 WeakPolarHBondContact O-CA 3.13Å; G211-A214 PolarHBondContact O-N 2.79Å; L212-A214 VanDerWaalsContact C-N 3.28Å; L212-A214 PolarHBondContact O-N 3.1Å |
| 215 | A | 94.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.008 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -83.2 | -37.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | P183 F185 L201 L207 G211 L212 C217 | P183-A215 WeakPolarHBondContact O-CB 3.3Å; F185-A215 VanDerWaalsContact CD2-O 3.22Å; F185-A215 WeakPolarHBondContact CD2-O 3.41Å; F185-A215 HydrophobicContact CE2-CB 4.19Å; F185-A215 WeakPolarHBondContact CE2-O 3.43Å; L201-A215 HydrophobicContact CD1-CB 4.17Å; L207-A215 HydrophobicContact CD1-CB 4.02Å; G211-A215 PolarHBondContact O-N 2.84Å; L212-A215 PolarHBondContact O-N 3.4Å; A215-C217 VanDerWaalsContact C-N 3.33Å; A215-C217 PolarHBondContact O-N 2.77Å; A215-C217 VanDerWaalsContact O-N 3.07Å |
| 216 | L | 94.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -85.5 | 75.2 | 176.9 | -63.8 | -180 | 0 | 0 | 0 | 110.5 | L199 L212 P218 L227 L244 A247 V249 | L199-L216 HydrophobicContact CD2-CD2 3.65Å; L212-L216 HydrophobicContact CD1-CD1 3.73Å; L212-L216 HydrophobicContact CD1-CG 3.86Å; L212-L216 HydrophobicContact CD2-CD1 4.45Å; L212-L216 HydrophobicContact CG-CD1 3.84Å; L212-L216 HydrophobicContact CG-CG 4.27Å; L212-L216 WeakPolarHBondContact O-CB 3.36Å; L212-L216 WeakPolarHBondContact O-CG 3.48Å; L212-L216 PolarHBondContact O-N 3.01Å; L216-P218 WeakPolarHBondContact O-CD 3.4Å; L216-L227 HydrophobicContact CD1-CD2 4.32Å; L216-L244 HydrophobicContact CD1-CD2 3.56Å; L216-A247 HydrophobicContact CB-CB 3.52Å; L216-A247 HydrophobicContact CD1-CB 4.16Å; L216-A247 WeakPolarHBondContact O-CB 3.44Å; L216-V249 HydrophobicContact CB-CG2 4.18Å; L216-V249 HydrophobicContact CD1-CB 4.37Å; L216-V249 HydrophobicContact CD1-CG2 4.26Å |
| 217 | C | 92.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -51 | 122.5 | 177.3 | -64.3 | 0 | 0 | 0 | 0 | 112.5 | C187 A215 H219 K220 F221 | C187-C217 WeakPolarHBondContact CA-SG 3.36Å; C187-C217 HydrophobicContact CB-CB 3.57Å; C187-C217 WeakPolarHBondContact CB-SG 3.33Å; C187-C217 WeakPolarHBondContact SG-CA 3.4Å; C187-C217 WeakPolarHBondContact SG-CB 3.45Å; C187-C217 CovalentContact SG-SG 2.05Å; C187-C217 PolarHBondContact SG-SG 3.14Å; A215-C217 VanDerWaalsContact C-N 3.33Å; A215-C217 PolarHBondContact O-N 2.77Å; A215-C217 VanDerWaalsContact O-N 3.07Å; C217-H219 PolarHBondContact O-N 2.9Å; C217-K220 HydrophobicContact CB-CB 3.88Å; C217-K220 HydrophobicContact CB-CG 3.41Å; C217-K220 VanDerWaalsContact CB-CG 3.41Å; C217-K220 WeakPolarHBondContact O-CB 3.43Å; C217-K220 PolarHBondContact O-N 3.25Å; C217-K220 VanDerWaalsContact O-N 3.1Å; C217-F221 HydrophobicContact CB-CE2 4.21Å | ||
| 218 | P | 91.2 | Very high | 94.3 | Very high | 61 Ų | 61 | 47.7 Ų | 47.7 | 40% | 0.396 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 132.1 | -176 | -29.4 | 35.3 | 0 | 0 | 0 | 112.7 | L216 K220 | L216-P218 WeakPolarHBondContact O-CD 3.4Å; P218-K220 PolarHBondContact O-N 2.82Å |
| 219 | H | 88.5 | Confident | 94.5 | Very high | 160 Ų | 160 | 46.9 Ų | 46.9 | 74% | 0.741 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 6.8 | 179.3 | -48.7 | -64.4 | 0 | 0 | 0 | 116.2 | C217 | C217-H219 PolarHBondContact O-N 2.9Š|
| 220 | K | 94.1 | Very high | 94.8 | Very high | 52 Ų | 52 | 48.8 Ų | 48.8 | 23% | 0.226 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -85.8 | -11.4 | 179.7 | -54.8 | -58.6 | 178.4 | 161.3 | 0 | 113.8 | C187 V190 A192 F193 C217 P218 P222 | C187-K220 WeakPolarHBondContact O-CE 3.48Å; V190-K220 HydrophobicContact CG1-CG 4.35Å; V190-K220 WeakPolarHBondContact O-CD 3.33Å; V190-K220 WeakPolarHBondContact O-CE 3.45Å; V190-K220 PolarHBondContact O-NZ 2.74Å; A192-K220 CarbonylContact C-O 3.55Å; A192-K220 WeakPolarHBondContact CA-O 3.25Å; F193-K220 PolarHBondContact N-O 2.9Å; C217-K220 HydrophobicContact CB-CB 3.88Å; C217-K220 HydrophobicContact CB-CG 3.41Å; C217-K220 VanDerWaalsContact CB-CG 3.41Å; C217-K220 WeakPolarHBondContact O-CB 3.43Å; C217-K220 PolarHBondContact O-N 3.25Å; C217-K220 VanDerWaalsContact O-N 3.1Å; P218-K220 PolarHBondContact O-N 2.82Å; K220-P222 VanDerWaalsContact C-CD 3.43Å; K220-P222 WeakPolarHBondContact O-CD 3.24Å |
| 221 | F | 95.7 | Very high | 95.2 | Very high | 12 Ų | 12 | 41 Ų | 41 | 5% | 0.053 | 23% | 0.227 | C | C | . | . | trans | -125.3 | 61.4 | -177.2 | -50.8 | -73.2 | 0 | 0 | 0 | 112.5 | F193 L196 L199 C217 A223 L224 | F193-F221 HydrophobicContact CB-CD1 4.37Å; F193-F221 AromaticContact CD2-CD1 3.94Å; F193-F221 HydrophobicContact CD2-CD1 3.94Å; F193-F221 AromaticContact CD2-CE1 3.47Å; F193-F221 HydrophobicContact CD2-CE1 3.47Å; F193-F221 VanDerWaalsContact CD2-CE1 3.47Å; F193-F221 HydrophobicContact CD2-CZ 4.4Å; F193-F221 AromaticContact CE2-CE1 3.87Å; F193-F221 HydrophobicContact CE2-CE1 3.87Å; F193-F221 HydrophobicContact CG-CE1 4.41Å; L196-F221 HydrophobicContact CD2-CD1 3.57Å; L196-F221 HydrophobicContact CD2-CE1 3.88Å; L199-F221 HydrophobicContact CD2-CZ 4.5Å; C217-F221 HydrophobicContact CB-CE2 4.21Å; F221-A223 VanDerWaalsContact C-N 3.31Å; F221-A223 PolarHBondContact O-N 2.87Å; F221-L224 HydrophobicContact CB-CB 4.19Å; F221-L224 PolarHBondContact O-N 3.43Å | ||
| 222 | P | 94.6 | Very high | 95.4 | Very high | 95 Ų | 95 | 40 Ų | 40 | 62% | 0.617 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -25.8 | -169.9 | 27.8 | -37 | 0 | 0 | 0 | 114.6 | K220 | K220-P222 VanDerWaalsContact C-CD 3.43Å; K220-P222 WeakPolarHBondContact O-CD 3.24Å |
| 223 | A | 96.2 | Very high | 95.5 | Very high | 34 Ų | 34 | 41.7 Ų | 41.7 | 28% | 0.281 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 12 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | P194 L196 F221 Q225 | P194-A223 VanDerWaalsContact O-CB 3.27Å; P194-A223 WeakPolarHBondContact O-CB 3.32Å; L196-A223 CarbonylContact O-C 3.32Å; F221-A223 VanDerWaalsContact C-N 3.31Å; F221-A223 PolarHBondContact O-N 2.87Å; A223-Q225 PolarHBondContact O-N 3.3Å |
| 224 | L | 97.9 | Very high | 95.7 | Very high | 9 Ų | 9 | 38.4 Ų | 38.4 | 5% | 0.047 | 22% | 0.217 | C | C | . | . | trans | -66.9 | 125.8 | -171.8 | -168.3 | 70.1 | 0 | 0 | 0 | 111.7 | L196 L199 F221 L227 V249 | L196-L224 HydrophobicContact CD2-CD1 4.49Å; L196-L224 WeakPolarHBondContact O-CA 3.4Å; L196-L224 PolarHBondContact O-N 3.33Å; L199-L224 HydrophobicContact CB-CD1 3.52Å; L199-L224 HydrophobicContact CB-CD2 4.3Å; F221-L224 HydrophobicContact CB-CB 4.19Å; F221-L224 PolarHBondContact O-N 3.43Å; L224-L227 HydrophobicContact CD2-CB 4.4Å; L224-L227 HydrophobicContact CD2-CD1 4.46Å; L224-V249 HydrophobicContact CD2-CG1 3.55Å | ||
| 225 | Q | 97.8 | Very high | 95.9 | Very high | 90 Ų | 90 | 40.8 Ų | 40.8 | 42% | 0.421 | 22% | 0.222 | S | C | . | . | trans | -115.8 | -42.7 | 179.9 | -64.8 | 178.8 | 3 | 0 | 0 | 111.8 | T197 A223 P251 H252 S253 | T197-Q225 WeakPolarHBondContact O-CA 3.49Å; T197-Q225 PolarHBondContact O-N 3.31Å; A223-Q225 PolarHBondContact O-N 3.3Å; Q225-P251 CarbonylContact O-C 3.58Å; Q225-H252 WeakPolarHBondContact O-CA 3.46Å; Q225-H252 PolarHBondContact O-N 3.43Å; Q225-S253 PolarHBondContact O-N 3.33Å | ||
| 226 | N | 98.6 | Very high | 95.8 | Very high | 66 Ų | 66 | 41 Ų | 41 | 35% | 0.353 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 123.4 | -177.1 | -56.1 | -56.3 | 0 | 0 | 0 | 109.3 | T197 S198 L199 S253 | T197-N226 PolarHBondContact O-N 2.79Å; S198-N226 WeakPolarHBondContact CA-O 3.01Å; L199-N226 PolarHBondContact N-O 2.95Å; N226-S253 WeakPolarHBondContact OD1-CB 3.45Å |
| 227 | L | 98.7 | Very high | 95.8 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 118.3 | 175.2 | -179.9 | 59.2 | 0 | 0 | 0 | 109.4 | L199 L216 L224 L229 L244 P251 S253 L254 D255 | L199-L227 HydrophobicContact CB-CD1 4.16Å; L199-L227 HydrophobicContact CD2-CD1 4.21Å; L199-L227 HydrophobicContact CG-CD1 4.19Å; L199-L227 WeakPolarHBondContact O-CA 3.47Å; L216-L227 HydrophobicContact CD1-CD2 4.32Å; L224-L227 HydrophobicContact CD2-CB 4.4Å; L224-L227 HydrophobicContact CD2-CD1 4.46Å; L227-L229 HydrophobicContact CD1-CD2 3.99Å; L227-L229 HydrophobicContact CD1-CG 4.31Å; L227-L229 HydrophobicContact CD2-CD1 4.15Å; L227-L229 HydrophobicContact CD2-CG 4.4Å; L227-L229 HydrophobicContact CG-CD1 4.29Å; L227-L229 HydrophobicContact CG-CD2 4.24Å; L227-L229 HydrophobicContact CG-CG 4.02Å; L227-L244 HydrophobicContact CD2-CD2 3.48Å; L227-L244 VanDerWaalsContact CD2-CD2 3.48Å; L227-P251 HydrophobicContact CB-CB 4.01Å; L227-P251 HydrophobicContact CB-CG 4.3Å; L227-S253 PolarHBondContact N-O 2.87Å; L227-L254 HydrophobicContact CB-CD1 4.09Å; L227-L254 HydrophobicContact CD2-CD1 3.96Å; L227-L254 HydrophobicContact CG-CD1 3.99Å; L227-L254 WeakPolarHBondContact O-CA 3.32Å; L227-D255 PolarHBondContact O-N 3.29Å |
| 228 | A | 98.7 | Very high | 95.8 | Very high | 11 Ų | 11 | 42 Ų | 42 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 126.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | L199 D200 L201 D255 | L199-A228 PolarHBondContact O-N 3Å; D200-A228 HydrophobicContact CB-CB 4.13Å; D200-A228 WeakPolarHBondContact OD1-CB 3.49Å; L201-A228 PolarHBondContact N-O 3.03Å; A228-D255 HydrophobicContact CB-CB 4.32Å |
| 229 | L | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -131.8 | 40.7 | -176.8 | -58.9 | 176.8 | 0 | 0 | 0 | 110.1 | L201 L207 L212 L227 T232 V240 L254 D255 L256 N259 | L201-L229 HydrophobicContact CB-CD2 3.98Å; L201-L229 HydrophobicContact CD1-CD2 4.1Å; L201-L229 HydrophobicContact CG-CD2 4.48Å; L207-L229 HydrophobicContact CD2-CD2 4.45Å; L212-L229 HydrophobicContact CD1-CD1 4.02Å; L212-L229 HydrophobicContact CD1-CD2 3.68Å; L212-L229 HydrophobicContact CD2-CD1 3.74Å; L227-L229 HydrophobicContact CD1-CD2 3.99Å; L227-L229 HydrophobicContact CD1-CG 4.31Å; L227-L229 HydrophobicContact CD2-CD1 4.15Å; L227-L229 HydrophobicContact CD2-CG 4.4Å; L227-L229 HydrophobicContact CG-CD1 4.29Å; L227-L229 HydrophobicContact CG-CD2 4.24Å; L227-L229 HydrophobicContact CG-CG 4.02Å; L229-T232 HydrophobicContact CB-CG2 4.27Å; L229-T232 PolarHBondContact O-OG1 2.94Å; L229-V240 HydrophobicContact CD1-CG1 4.22Å; L229-L254 HydrophobicContact CD1-CD1 4.06Å; L229-L254 HydrophobicContact CG-CD1 4.49Å; L229-D255 CarbonylContact C-O 3.6Å; L229-D255 WeakPolarHBondContact CA-O 3.3Å; L229-D255 PolarHBondContact N-O 2.92Å; L229-L256 HydrophobicContact CB-CD2 3.93Å; L229-L256 HydrophobicContact CD1-CD2 3.88Å; L229-L256 HydrophobicContact CG-CD2 4.39Å; L229-N259 PolarHBondContact O-ND2 3.14Å | ||
| 230 | R | 98.5 | Very high | 96.3 | Very high | 72 Ų | 72 | 31.6 Ų | 31.6 | 27% | 0.272 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 137.4 | -177.7 | -55.5 | 180 | -71.9 | -75.3 | -9.9 | 110.8 | D200 S202 D203 T232 D255 S257 | D200-R230 IonicContact OD1-NH2 3.74Å; D200-R230 IonicContact OD2-CZ 2.81Å; D200-R230 IonicContact OD2-NH1 2.74Å; D200-R230 IonicContact OD2-NH2 3.15Å; D200-R230 PolarHBondContact OD2-NH2 2.94Å; S202-R230 CarbonylContact C-O 3.56Å; S202-R230 WeakPolarHBondContact CA-O 3.19Å; S202-R230 WeakPolarHBondContact CB-O 3.37Å; S202-R230 WeakPolarHBondContact OG-CB 3.27Å; S202-R230 PolarHBondContact OG-N 2.88Å; S202-R230 VanDerWaalsContact OG-N 3.09Å; S202-R230 PolarHBondContact OG-NE 2.92Å; S202-R230 PolarHBondContact OG-NH2 2.93Å; S202-R230 VanDerWaalsContact OG-NH2 3.12Å; D203-R230 PolarHBondContact N-O 2.8Å; R230-T232 VanDerWaalsContact C-N 3.33Å; R230-T232 WeakPolarHBondContact O-CG2 3.44Å; R230-T232 PolarHBondContact O-N 2.82Å; R230-D255 WeakPolarHBondContact CD-OD2 3.16Å; R230-D255 VanDerWaalsContact CG-OD2 3.31Å; R230-D255 WeakPolarHBondContact CG-OD2 3.31Å; R230-D255 IonicContact CZ-OD2 3.88Å; R230-D255 IonicContact NE-OD2 3.16Å; R230-D255 IonicContact NH1-OD2 2.75Å; R230-D255 PolarHBondContact NH1-OD2 3.41Å; R230-S257 WeakPolarHBondContact CA-O 3.47Å; R230-S257 WeakPolarHBondContact CB-O 3.24Å; R230-S257 VanDerWaalsContact CD-OG 3.31Å; R230-S257 WeakPolarHBondContact CD-OG 3.31Å; R230-S257 VanDerWaalsContact CG-OG 3.29Å; R230-S257 WeakPolarHBondContact CG-OG 3.49Å |
| 231 | N | 97.5 | Very high | 96.3 | Very high | 64 Ų | 64 | 29.2 Ų | 29.2 | 34% | 0.342 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 51 | 177.8 | -177.4 | 34 | 0 | 0 | 0 | 112.6 | D203 N204 S257 H258 | D203-N231 PolarHBondContact OD1-ND2 2.88Å; N204-N231 CarbonylContact C-O 3.43Å; N204-N231 PolarHBondContact N-O 2.81Å; N231-S257 PolarHBondContact N-O 3.3Å; N231-H258 WeakPolarHBondContact CA-O 3.37Å; N231-H258 HydrophobicContact CB-CB 4.38Å |
| 232 | T | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -114.9 | 9.1 | -177.6 | 54.2 | 0 | 0 | 0 | 0 | 113.9 | L201 N204 L207 G208 L229 R230 M234 N259 | L201-T232 WeakPolarHBondContact O-CG2 3.34Å; N204-T232 HydrophobicContact CB-CG2 4.46Å; N204-T232 CarbonylContact O-C 3.53Å; N204-T232 VanDerWaalsContact O-CA 3.27Å; N204-T232 WeakPolarHBondContact O-CA 3.42Å; L207-T232 HydrophobicContact CD2-CG2 4.14Å; G208-T232 PolarHBondContact N-O 2.82Å; L229-T232 HydrophobicContact CB-CG2 4.27Å; L229-T232 PolarHBondContact O-OG1 2.94Å; R230-T232 VanDerWaalsContact C-N 3.33Å; R230-T232 WeakPolarHBondContact O-CG2 3.44Å; R230-T232 PolarHBondContact O-N 2.82Å; T232-M234 VanDerWaalsContact C-N 3.29Å; T232-M234 PolarHBondContact O-N 2.87Å; T232-M234 VanDerWaalsContact OG1-CE 3.25Å; T232-M234 WeakPolarHBondContact OG1-CE 3.45Å; T232-M234 VanDerWaalsContact OG1-CG 3.29Å; T232-M234 WeakPolarHBondContact OG1-CG 3.42Å; T232-N259 PolarHBondContact N-OD1 2.87Å; T232-N259 PolarHBondContact OG1-OD1 3.47Å |
| 233 | G | 95.9 | Very high | 96.1 | Very high | 36 Ų | 36 | 25.1 Ų | 25.1 | 37% | 0.371 | 14% | 0.143 | S | C | . | . | trans | 70.6 | 24.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | N259 | G233-N259 PolarHBondContact N-OD1 3.09Å; G233-N259 VanDerWaalsContact N-OD1 3.09Å | ||
| 234 | M | 96.3 | Very high | 96 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | trans | -68.1 | 138.2 | 171.3 | -59.2 | -59.5 | 146.3 | 0 | 0 | 109.4 | L207 G208 E209 L212 T232 V240 N259 L261 | L207-M234 HydrophobicContact CD2-CE 3.91Å; L207-M234 HydrophobicContact CG-CE 4.03Å; G208-M234 WeakPolarHBondContact O-CE 3.39Å; E209-M234 HydrophobicContact CG-SD 3.98Å; L212-M234 HydrophobicContact CB-CE 4.14Å; L212-M234 HydrophobicContact CD2-CE 4.26Å; L212-M234 HydrophobicContact CD2-SD 4.29Å; T232-M234 VanDerWaalsContact C-N 3.29Å; T232-M234 PolarHBondContact O-N 2.87Å; T232-M234 VanDerWaalsContact OG1-CE 3.25Å; T232-M234 WeakPolarHBondContact OG1-CE 3.45Å; T232-M234 VanDerWaalsContact OG1-CG 3.29Å; T232-M234 WeakPolarHBondContact OG1-CG 3.42Å; M234-V240 HydrophobicContact CB-CG2 3.9Å; M234-V240 HydrophobicContact CG-CG2 3.83Å; M234-V240 HydrophobicContact SD-CG2 3.75Å; M234-N259 HydrophobicContact CB-CB 4.33Å; M234-N259 PolarHBondContact N-OD1 3.32Å; M234-N259 VanDerWaalsContact N-OD1 3.08Å; M234-L261 HydrophobicContact CB-CD2 4.21Å; M234-L261 WeakPolarHBondContact O-CD2 3.17Å | ||
| 235 | E | 94.6 | Very high | 95.8 | Very high | 89 Ų | 89 | 27.6 Ų | 27.6 | 42% | 0.416 | 15% | 0.154 | S | C | . | . | trans | -102.7 | -39.2 | -176.8 | -65.6 | -170.6 | -153.4 | 0 | 0 | 112 | E209 L261 R262 | E209-E235 PolarHBondContact OE1-N 2.85Å; E235-L261 CarbonylContact O-C 3.55Å; E235-L261 WeakPolarHBondContact O-CA 3.1Å; E235-R262 PolarHBondContact O-N 3.25Å; E235-R262 IonicContact OE2-CZ 3.51Å; E235-R262 IonicContact OE2-NH1 2.76Å; E235-R262 PolarHBondContact OE2-NH1 3.41Å; E235-R262 IonicContact OE2-NH2 3.98Å | ||
| 236 | T | 94.1 | Very high | 95.4 | Very high | 4 Ų | 4 | 26.3 Ų | 26.3 | 3% | 0.025 | 16% | 0.159 | C | C | . | . | trans | -142.9 | 143.6 | -175.5 | 64.7 | 0 | 0 | 0 | 0 | 112.5 | E209 T238 G239 V240 R262 T264 N266 | E209-T236 PolarHBondContact OE1-N 2.95Å; E209-T236 PolarHBondContact OE1-OG1 2.95Å; E209-T236 VanDerWaalsContact OE1-OG1 3.08Å; T236-T238 PolarHBondContact O-N 3.2Å; T236-T238 PolarHBondContact OG1-OG1 2.96Å; T236-G239 PolarHBondContact O-N 2.89Å; T236-G239 PolarHBondContact OG1-N 3Å; T236-V240 WeakPolarHBondContact O-CG2 3.39Å; T236-V240 PolarHBondContact O-N 2.82Å; T236-V240 VanDerWaalsContact O-N 3.12Å; T236-R262 HydrophobicContact CG2-CB 4.29Å; T236-T264 WeakPolarHBondContact CG2-O 3.4Å; T236-N266 HydrophobicContact CG2-CB 4.19Å | ||
| 237 | P | 94.4 | Very high | 95 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.013 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.9 | -36.5 | 171.6 | -27.2 | 36.2 | 0 | 0 | 0 | 113.1 | V240 C241 W274 L283 P292 L295 | P237-V240 PolarHBondContact O-N 3.15Å; P237-C241 WeakPolarHBondContact O-CB 3.43Å; P237-C241 PolarHBondContact O-N 3.18Å; P237-W274 HydrophobicContact CB-CH2 4.48Å; P237-W274 HydrophobicContact CB-CZ2 3.99Å; P237-W274 WeakPolarHBondContact O-CH2 3.38Å; P237-W274 WeakPolarHBondContact O-CZ2 3.37Å; P237-L283 HydrophobicContact CG-CD2 4.43Å; P237-P292 HydrophobicContact CG-CB 3.89Å; P237-P292 HydrophobicContact CG-CG 3.87Å; P237-L295 HydrophobicContact CB-CD2 4.34Å; P237-L295 HydrophobicContact CG-CD2 4.48Å |
| 238 | T | 92.9 | Very high | 94.6 | Very high | 19 Ų | 19 | 25.2 Ų | 25.2 | 12% | 0.117 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.7 | -37.8 | 178.1 | 49.2 | 0 | 0 | 0 | 0 | 113.2 | T236 C241 A242 A265 N266 K293 | T236-T238 PolarHBondContact O-N 3.2Å; T236-T238 PolarHBondContact OG1-OG1 2.96Å; T238-C241 WeakPolarHBondContact O-CB 3.48Å; T238-C241 PolarHBondContact O-N 2.98Å; T238-A242 PolarHBondContact O-N 3.37Å; T238-A265 HydrophobicContact CG2-CB 4.49Å; T238-N266 PolarHBondContact OG1-N 3.22Å; T238-K293 WeakPolarHBondContact CG2-O 2.94Å |
| 239 | G | 93.7 | Very high | 94.4 | Very high | 4 Ų | 4 | 25.3 Ų | 25.3 | 4% | 0.041 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -70.2 | -40.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E209 T236 A242 A243 | E209-G239 WeakPolarHBondContact OE2-CA 3.45Å; T236-G239 PolarHBondContact O-N 2.89Å; T236-G239 PolarHBondContact OG1-N 3Å; G239-A242 PolarHBondContact O-N 3.15Å; G239-A243 PolarHBondContact O-N 3.37Å |
| 240 | V | 95.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.5 | -47.2 | 170.7 | 177.8 | 0 | 0 | 0 | 0 | 111.1 | L212 L229 M234 T236 P237 A242 A243 L244 L254 L256 | L212-V240 HydrophobicContact CD2-CG1 4.22Å; L229-V240 HydrophobicContact CD1-CG1 4.22Å; M234-V240 HydrophobicContact CB-CG2 3.9Å; M234-V240 HydrophobicContact CG-CG2 3.83Å; M234-V240 HydrophobicContact SD-CG2 3.75Å; T236-V240 WeakPolarHBondContact O-CG2 3.39Å; T236-V240 PolarHBondContact O-N 2.82Å; T236-V240 VanDerWaalsContact O-N 3.12Å; P237-V240 PolarHBondContact O-N 3.15Å; V240-A242 VanDerWaalsContact C-N 3.29Å; V240-A242 PolarHBondContact O-N 3.13Å; V240-A243 WeakPolarHBondContact O-CB 3.45Å; V240-A243 PolarHBondContact O-N 2.89Å; V240-A243 VanDerWaalsContact O-N 3.13Å; V240-L244 HydrophobicContact CG1-CD1 4.08Å; V240-L244 HydrophobicContact CG1-CG 4.19Å; V240-L244 WeakPolarHBondContact O-CG 3.19Å; V240-L244 PolarHBondContact O-N 3.07Å; V240-L254 HydrophobicContact CG1-CD2 4.03Å; V240-L256 HydrophobicContact CB-CD1 4.43Å; V240-L256 HydrophobicContact CG1-CD1 4.46Å; V240-L256 HydrophobicContact CG1-CD2 4.17Å; V240-L256 HydrophobicContact CG2-CD1 4.18Å; V240-L256 HydrophobicContact CG2-CD2 4.29Å |
| 241 | C | 95.1 | Very high | 94 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.014 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -53.3 | -48.3 | 175.6 | -178.6 | 0 | 0 | 0 | 0 | 111.5 | P237 T238 A243 L244 T245 C272 W274 | P237-C241 WeakPolarHBondContact O-CB 3.43Å; P237-C241 PolarHBondContact O-N 3.18Å; T238-C241 WeakPolarHBondContact O-CB 3.48Å; T238-C241 PolarHBondContact O-N 2.98Å; C241-A243 VanDerWaalsContact C-N 3.32Å; C241-A243 PolarHBondContact O-N 2.8Å; C241-L244 PolarHBondContact O-N 2.88Å; C241-T245 PolarHBondContact O-N 2.78Å; C241-T245 PolarHBondContact O-OG1 3.12Å; C241-C272 VanDerWaalsContact CA-SG 3.54Å; C241-C272 HydrophobicContact CB-CB 3.66Å; C241-C272 WeakPolarHBondContact CB-SG 3.46Å; C241-C272 PolarHBondContact O-SG 3.02Å; C241-C272 WeakPolarHBondContact SG-CB 3.48Å; C241-C272 CovalentContact SG-SG 2.02Å; C241-C272 PolarHBondContact SG-SG 3.02Å; C241-W274 HydrophobicContact CB-CD2 3.86Å; C241-W274 HydrophobicContact CB-CE3 3.98Å; C241-W274 HydrophobicContact CB-CH2 3.8Å; C241-W274 HydrophobicContact CB-CZ2 3.66Å; C241-W274 HydrophobicContact CB-CZ3 3.95Å; C241-W274 VanDerWaalsContact SG-CD2 3.54Å |
| 242 | A | 93 | Very high | 94 | Very high | 18 Ų | 18 | 28.3 Ų | 28.3 | 15% | 0.149 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.4 | -40.6 | 180 | 0 | 0 | 0 | 0 | 0 | 111.5 | T238 G239 V240 T245 A246 P270 C272 | T238-A242 PolarHBondContact O-N 3.37Å; G239-A242 PolarHBondContact O-N 3.15Å; V240-A242 VanDerWaalsContact C-N 3.29Å; V240-A242 PolarHBondContact O-N 3.13Å; A242-T245 PolarHBondContact O-N 2.99Å; A242-A246 WeakPolarHBondContact O-CB 3.3Å; A242-A246 PolarHBondContact O-N 3.46Å; A242-P270 HydrophobicContact CB-CG 4.17Å; A242-C272 HydrophobicContact CB-CB 4.31Å; A242-C272 PolarHBondContact N-SG 3.1Å |
| 243 | A | 93.1 | Very high | 94.1 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 2% | 0.017 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64 | -44 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L212 I213 G239 V240 C241 T245 A246 A247 | L212-A243 HydrophobicContact CB-CB 4.45Å; L212-A243 HydrophobicContact CD2-CB 3.97Å; L212-A243 HydrophobicContact CG-CB 4.4Å; I213-A243 HydrophobicContact CD1-CB 4.23Å; I213-A243 HydrophobicContact CG1-CB 3.66Å; G239-A243 PolarHBondContact O-N 3.37Å; V240-A243 WeakPolarHBondContact O-CB 3.45Å; V240-A243 PolarHBondContact O-N 2.89Å; V240-A243 VanDerWaalsContact O-N 3.13Å; C241-A243 VanDerWaalsContact C-N 3.32Å; C241-A243 PolarHBondContact O-N 2.8Å; A243-T245 VanDerWaalsContact C-N 3.32Å; A243-T245 PolarHBondContact O-N 3.08Å; A243-A246 PolarHBondContact O-N 3.09Å; A243-A247 WeakPolarHBondContact O-CB 3.39Å; A243-A247 PolarHBondContact O-N 3.4Å |
| 244 | L | 94.5 | Very high | 94.2 | Very high | 8 Ų | 8 | 28 Ų | 28 | 4% | 0.042 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.5 | -41.9 | 175.7 | -65.9 | 178.3 | 0 | 0 | 0 | 111.8 | L216 L227 V240 C241 A247 G248 V249 P251 L254 W274 | L216-L244 HydrophobicContact CD1-CD2 3.56Å; L227-L244 HydrophobicContact CD2-CD2 3.48Å; L227-L244 VanDerWaalsContact CD2-CD2 3.48Å; V240-L244 HydrophobicContact CG1-CD1 4.08Å; V240-L244 HydrophobicContact CG1-CG 4.19Å; V240-L244 WeakPolarHBondContact O-CG 3.19Å; V240-L244 PolarHBondContact O-N 3.07Å; C241-L244 PolarHBondContact O-N 2.88Å; L244-A247 PolarHBondContact O-N 2.7Å; L244-G248 PolarHBondContact O-N 2.88Å; L244-V249 HydrophobicContact CD2-CB 4.5Å; L244-V249 HydrophobicContact CD2-CG1 4.49Å; L244-V249 PolarHBondContact O-N 2.82Å; L244-P251 HydrophobicContact CD1-CG 4.22Å; L244-L254 HydrophobicContact CD1-CD2 4.07Å; L244-W274 HydrophobicContact CD1-CZ3 4.3Å |
| 245 | T | 91.8 | Very high | 94.3 | Very high | 87 Ų | 87 | 29.1 Ų | 29.1 | 53% | 0.534 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -63.3 | -45.6 | 176.8 | -57.1 | 0 | 0 | 0 | 0 | 111 | C241 A242 A243 A247 G248 C272 | C241-T245 PolarHBondContact O-N 2.78Å; C241-T245 PolarHBondContact O-OG1 3.12Å; A242-T245 PolarHBondContact O-N 2.99Å; A243-T245 VanDerWaalsContact C-N 3.32Å; A243-T245 PolarHBondContact O-N 3.08Å; T245-A247 VanDerWaalsContact C-N 3.3Å; T245-A247 PolarHBondContact O-N 3.41Å; T245-G248 PolarHBondContact O-N 3.35Å; T245-G248 VanDerWaalsContact O-N 3.11Å; T245-C272 PolarHBondContact OG1-SG 2.74Å |
| 246 | A | 90.4 | Very high | 94.5 | Very high | 64 Ų | 64 | 24.9 Ų | 24.9 | 53% | 0.529 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -63 | -35.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I213 A242 A243 G248 | I213-A246 HydrophobicContact CD1-CB 4.27Å; I213-A246 HydrophobicContact CG1-CB 4.43Å; I213-A246 HydrophobicContact CG2-CB 4.42Å; A242-A246 WeakPolarHBondContact O-CB 3.3Å; A242-A246 PolarHBondContact O-N 3.46Å; A243-A246 PolarHBondContact O-N 3.09Å; A246-G248 VanDerWaalsContact C-N 3.3Å |
| 247 | A | 89.8 | Confident | 94.7 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.008 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -78.8 | -10.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L216 A243 L244 T245 V249 | L216-A247 HydrophobicContact CB-CB 3.52Å; L216-A247 HydrophobicContact CD1-CB 4.16Å; L216-A247 WeakPolarHBondContact O-CB 3.44Å; A243-A247 WeakPolarHBondContact O-CB 3.39Å; A243-A247 PolarHBondContact O-N 3.4Å; L244-A247 PolarHBondContact O-N 2.7Å; T245-A247 VanDerWaalsContact C-N 3.3Å; T245-A247 PolarHBondContact O-N 3.41Å; A247-V249 VanDerWaalsContact C-N 3.31Å; A247-V249 HydrophobicContact CB-CG2 4.01Å; A247-V249 PolarHBondContact O-N 2.9Å |
| 248 | G | 90.9 | Very high | 94.9 | Very high | 45 Ų | 45 | 28.6 Ų | 28.6 | 46% | 0.464 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 28.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L244 T245 A246 | L244-G248 PolarHBondContact O-N 2.88Å; T245-G248 PolarHBondContact O-N 3.35Å; T245-G248 VanDerWaalsContact O-N 3.11Å; A246-G248 VanDerWaalsContact C-N 3.3Å |
| 249 | V | 93.3 | Very high | 95.1 | Very high | 12 Ų | 12 | 27.9 Ų | 27.9 | 7% | 0.073 | 17% | 0.17 | C | C | . | . | trans | -105.6 | 133.9 | -176.7 | 178.1 | 0 | 0 | 0 | 0 | 110.4 | L216 L224 L244 A247 | L216-V249 HydrophobicContact CB-CG2 4.18Å; L216-V249 HydrophobicContact CD1-CB 4.37Å; L216-V249 HydrophobicContact CD1-CG2 4.26Å; L224-V249 HydrophobicContact CD2-CG1 3.55Å; L244-V249 HydrophobicContact CD2-CB 4.5Å; L244-V249 HydrophobicContact CD2-CG1 4.49Å; L244-V249 PolarHBondContact O-N 2.82Å; A247-V249 VanDerWaalsContact C-N 3.31Å; A247-V249 HydrophobicContact CB-CG2 4.01Å; A247-V249 PolarHBondContact O-N 2.9Å | ||
| 250 | Q | 92.9 | Very high | 95.2 | Very high | 120 Ų | 120 | 33 Ų | 33 | 56% | 0.561 | 21% | 0.205 | S | C | * | . | trans | -132.2 | 79.4 | -174.2 | -60.9 | -172.1 | 38.4 | 0 | 0 | 111.1 | S275 | Q250-S275 PolarHBondContact OE1-OG 2.05Š| ||
| 251 | P | 96.6 | Very high | 95.3 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 3% | 0.026 | 21% | 0.207 | C | C | . | . | trans | -74.8 | 154.5 | -178.7 | 32.6 | -32.8 | 0 | 0 | 0 | 111.3 | Q225 L227 L244 L278 | Q225-P251 CarbonylContact O-C 3.58Å; L227-P251 HydrophobicContact CB-CB 4.01Å; L227-P251 HydrophobicContact CB-CG 4.3Å; L244-P251 HydrophobicContact CD1-CG 4.22Å; P251-L278 WeakPolarHBondContact O-CA 3.33Å | ||
| 252 | H | 98 | Very high | 95.1 | Very high | 76 Ų | 76 | 40.2 Ų | 40.2 | 35% | 0.352 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -83.5 | -37.7 | 170.3 | -67.6 | 67.5 | 0 | 0 | 0 | 111.4 | Q225 N279 S280 | Q225-H252 WeakPolarHBondContact O-CA 3.46Å; Q225-H252 PolarHBondContact O-N 3.43Å; H252-N279 PolarHBondContact O-N 3.46Å; H252-N279 PolarHBondContact O-OD1 2.96Å; H252-S280 PolarHBondContact O-N 3.23Å; H252-S280 VanDerWaalsContact O-N 3.14Å |
| 253 | S | 98.6 | Very high | 94.8 | Very high | 30 Ų | 30 | 40.5 Ų | 40.5 | 21% | 0.21 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 130.6 | 176.9 | -172 | 0 | 0 | 0 | 0 | 110.6 | Q225 N226 L227 S280 | Q225-S253 PolarHBondContact O-N 3.33Å; N226-S253 WeakPolarHBondContact OD1-CB 3.45Å; L227-S253 PolarHBondContact N-O 2.87Å; S253-S280 WeakPolarHBondContact CA-O 3.45Å; S253-S280 PolarHBondContact OG-OG 3.38Å |
| 254 | L | 98.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 123.4 | 177.4 | -178.1 | 62.7 | 0 | 0 | 0 | 110.2 | L227 L229 V240 L244 L256 W274 L278 S280 L281 N282 | L227-L254 HydrophobicContact CB-CD1 4.09Å; L227-L254 HydrophobicContact CD2-CD1 3.96Å; L227-L254 HydrophobicContact CG-CD1 3.99Å; L227-L254 WeakPolarHBondContact O-CA 3.32Å; L229-L254 HydrophobicContact CD1-CD1 4.06Å; L229-L254 HydrophobicContact CG-CD1 4.49Å; V240-L254 HydrophobicContact CG1-CD2 4.03Å; L244-L254 HydrophobicContact CD1-CD2 4.07Å; L254-L256 HydrophobicContact CD1-CD2 3.88Å; L254-L256 HydrophobicContact CD2-CD1 4.16Å; L254-L256 HydrophobicContact CD2-CD2 4.12Å; L254-L256 HydrophobicContact CD2-CG 4.16Å; L254-L256 HydrophobicContact CG-CD2 3.86Å; L254-L256 HydrophobicContact CG-CG 3.98Å; L254-W274 HydrophobicContact CD2-CH2 4Å; L254-W274 HydrophobicContact CD2-CZ3 3.74Å; L254-L278 HydrophobicContact CB-CD1 3.86Å; L254-S280 PolarHBondContact N-O 2.88Å; L254-L281 HydrophobicContact CB-CD1 3.96Å; L254-L281 HydrophobicContact CD2-CD1 3.89Å; L254-L281 HydrophobicContact CG-CD1 4.01Å; L254-L281 WeakPolarHBondContact O-CA 3.44Å; L254-N282 PolarHBondContact O-N 3.04Å |
| 255 | D | 98.8 | Very high | 92.9 | Very high | 25 Ų | 25 | 46.6 Ų | 46.6 | 13% | 0.134 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 111.2 | 176.9 | -179.7 | 8.3 | 0 | 0 | 0 | 110.5 | L227 A228 L229 R230 S257 N282 | L227-D255 PolarHBondContact O-N 3.29Å; A228-D255 HydrophobicContact CB-CB 4.32Å; L229-D255 CarbonylContact C-O 3.6Å; L229-D255 WeakPolarHBondContact CA-O 3.3Å; L229-D255 PolarHBondContact N-O 2.92Å; R230-D255 WeakPolarHBondContact CD-OD2 3.16Å; R230-D255 VanDerWaalsContact CG-OD2 3.31Å; R230-D255 WeakPolarHBondContact CG-OD2 3.31Å; R230-D255 IonicContact CZ-OD2 3.88Å; R230-D255 IonicContact NE-OD2 3.16Å; R230-D255 IonicContact NH1-OD2 2.75Å; R230-D255 PolarHBondContact NH1-OD2 3.41Å; D255-S257 VanDerWaalsContact OD1-CB 3.26Å; D255-S257 WeakPolarHBondContact OD1-CB 3.21Å; D255-S257 PolarHBondContact OD1-N 3.03Å; D255-S257 PolarHBondContact OD1-OG 2.86Å; D255-N282 HydrophobicContact CB-CB 4.35Å |
| 256 | L | 98.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -112.3 | 15.6 | 176.9 | -52.1 | -177.4 | 0 | 0 | 0 | 111.8 | L229 V240 L254 N259 L261 L281 N282 L283 | L229-L256 HydrophobicContact CB-CD2 3.93Å; L229-L256 HydrophobicContact CD1-CD2 3.88Å; L229-L256 HydrophobicContact CG-CD2 4.39Å; V240-L256 HydrophobicContact CB-CD1 4.43Å; V240-L256 HydrophobicContact CG1-CD1 4.46Å; V240-L256 HydrophobicContact CG1-CD2 4.17Å; V240-L256 HydrophobicContact CG2-CD1 4.18Å; V240-L256 HydrophobicContact CG2-CD2 4.29Å; L254-L256 HydrophobicContact CD1-CD2 3.88Å; L254-L256 HydrophobicContact CD2-CD1 4.16Å; L254-L256 HydrophobicContact CD2-CD2 4.12Å; L254-L256 HydrophobicContact CD2-CG 4.16Å; L254-L256 HydrophobicContact CG-CD2 3.86Å; L254-L256 HydrophobicContact CG-CG 3.98Å; L256-N259 PolarHBondContact O-ND2 2.75Å; L256-L261 HydrophobicContact CB-CD1 4.33Å; L256-L281 HydrophobicContact CD1-CD1 4.32Å; L256-L281 HydrophobicContact CG-CD1 4.43Å; L256-N282 CarbonylContact C-O 3.57Å; L256-N282 WeakPolarHBondContact CA-O 3.48Å; L256-N282 PolarHBondContact N-O 3.21Å; L256-L283 HydrophobicContact CB-CD2 3.98Å; L256-L283 HydrophobicContact CD1-CD2 3.91Å; L256-L283 HydrophobicContact CG-CD2 4.29Å | ||
| 257 | S | 98.4 | Very high | 90.4 | Very high | 4 Ų | 4 | 47.5 Ų | 47.5 | 3% | 0.028 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 157.4 | -179 | 60.4 | 0 | 0 | 0 | 0 | 112 | R230 N231 D255 N259 N282 S284 | R230-S257 WeakPolarHBondContact CA-O 3.47Å; R230-S257 WeakPolarHBondContact CB-O 3.24Å; R230-S257 VanDerWaalsContact CD-OG 3.31Å; R230-S257 WeakPolarHBondContact CD-OG 3.31Å; R230-S257 VanDerWaalsContact CG-OG 3.29Å; R230-S257 WeakPolarHBondContact CG-OG 3.49Å; N231-S257 PolarHBondContact N-O 3.3Å; D255-S257 VanDerWaalsContact OD1-CB 3.26Å; D255-S257 WeakPolarHBondContact OD1-CB 3.21Å; D255-S257 PolarHBondContact OD1-N 3.03Å; D255-S257 PolarHBondContact OD1-OG 2.86Å; S257-N259 PolarHBondContact O-N 3.13Å; S257-N259 VanDerWaalsContact O-N 3.09Å; S257-N259 PolarHBondContact O-ND2 3.33Å; S257-N282 PolarHBondContact N-O 3.34Å; S257-S284 WeakPolarHBondContact CA-O 3.23Å; S257-S284 WeakPolarHBondContact CB-O 3.33Å; S257-S284 WeakPolarHBondContact CB-OG 3.31Å |
| 258 | H | 97.9 | Very high | 89.1 | Confident | 79 Ų | 79 | 52.6 Ų | 52.6 | 37% | 0.366 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 19.4 | -179.2 | -57.8 | -87.5 | 0 | 0 | 0 | 115.6 | N231 S284 F285 | N231-H258 WeakPolarHBondContact CA-O 3.37Å; N231-H258 HydrophobicContact CB-CB 4.38Å; H258-S284 PolarHBondContact N-O 3.08Å; H258-S284 VanDerWaalsContact N-O 3.15Å; H258-F285 WeakPolarHBondContact CA-O 3.3Å; H258-F285 AromaticContact CE1-CD2 3.97Å; H258-F285 AromaticContact CE1-CG 3.63Å; H258-F285 AromaticContact NE2-CD2 3.87Å; H258-F285 AromaticContact NE2-CG 3.97Å |
| 259 | N | 97.8 | Very high | 87.7 | Confident | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -96.7 | 149.1 | 166.2 | -72.3 | -80.1 | 0 | 0 | 0 | 110.5 | L229 T232 G233 M234 L256 S257 L261 A286 | L229-N259 PolarHBondContact O-ND2 3.14Å; T232-N259 PolarHBondContact N-OD1 2.87Å; T232-N259 PolarHBondContact OG1-OD1 3.47Å; G233-N259 PolarHBondContact N-OD1 3.09Å; G233-N259 VanDerWaalsContact N-OD1 3.09Å; M234-N259 HydrophobicContact CB-CB 4.33Å; M234-N259 PolarHBondContact N-OD1 3.32Å; M234-N259 VanDerWaalsContact N-OD1 3.08Å; L256-N259 PolarHBondContact O-ND2 2.75Å; S257-N259 PolarHBondContact O-N 3.13Å; S257-N259 VanDerWaalsContact O-N 3.09Å; S257-N259 PolarHBondContact O-ND2 3.33Å; N259-L261 HydrophobicContact CB-CD2 3.79Å; N259-L261 HydrophobicContact CB-CG 3.96Å; N259-L261 PolarHBondContact O-N 3.24Å; N259-A286 CarbonylContact O-C 3.54Å; N259-A286 VanDerWaalsContact O-C 3.32Å; N259-A286 WeakPolarHBondContact O-CA 3.31Å; N259-A286 WeakPolarHBondContact O-CB 3.3Å |
| 260 | S | 96.2 | Very high | 86.4 | Confident | 111 Ų | 111 | 55.6 Ų | 55.6 | 78% | 0.776 | 33% | 0.326 | S | S | * | . | trans | -78.2 | 73 | 173.5 | -61.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 261 | L | 96.1 | Very high | 85.4 | Confident | 10 Ų | 10 | 62.1 Ų | 62.1 | 5% | 0.052 | 35% | 0.345 | C | S | . | . | trans | -77.5 | 140.5 | -172.7 | -61.5 | 179.8 | 0 | 0 | 0 | 112.3 | M234 E235 L256 N259 L283 A286 L288 | M234-L261 HydrophobicContact CB-CD2 4.21Å; M234-L261 WeakPolarHBondContact O-CD2 3.17Å; E235-L261 CarbonylContact O-C 3.55Å; E235-L261 WeakPolarHBondContact O-CA 3.1Å; L256-L261 HydrophobicContact CB-CD1 4.33Å; N259-L261 HydrophobicContact CB-CD2 3.79Å; N259-L261 HydrophobicContact CB-CG 3.96Å; N259-L261 PolarHBondContact O-N 3.24Å; L261-L283 HydrophobicContact CD1-CD2 3.89Å; L261-A286 HydrophobicContact CB-CB 4.06Å; L261-A286 HydrophobicContact CD1-CB 3.68Å; L261-A286 HydrophobicContact CG-CB 3.85Å; L261-A286 PolarHBondContact N-O 2.85Å; L261-A286 VanDerWaalsContact N-O 3.12Å; L261-L288 HydrophobicContact CB-CD2 3.73Å; L261-L288 HydrophobicContact CB-CG 4.17Å | ||
| 262 | R | 92.6 | Very high | 84.6 | Confident | 145 Ų | 145 | 63.6 Ų | 63.6 | 55% | 0.547 | 36% | 0.355 | S | S | . | . | trans | -97.6 | 142.6 | 172.1 | -63.8 | 179.1 | 179.4 | 147.2 | 5.6 | 110.4 | E235 T236 | E235-R262 PolarHBondContact O-N 3.25Å; E235-R262 IonicContact OE2-CZ 3.51Å; E235-R262 IonicContact OE2-NH1 2.76Å; E235-R262 PolarHBondContact OE2-NH1 3.41Å; E235-R262 IonicContact OE2-NH2 3.98Å; T236-R262 HydrophobicContact CG2-CB 4.29Å | ||
| 263 | A | 85 | Confident | 84.1 | Confident | 23 Ų | 23 | 68 Ų | 68 | 19% | 0.19 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -77.7 | -21 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q290 P292 K293 | A263-Q290 HydrophobicContact CB-CB 3.8Å; A263-P292 WeakPolarHBondContact O-CA 3.46Å; A263-K293 PolarHBondContact O-N 3.18Å |
| 264 | T | 80.9 | Confident | 83.9 | Confident | 92 Ų | 92 | 68.4 Ų | 68.4 | 56% | 0.564 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -70.5 | 138.5 | 177.5 | 52.2 | 0 | 0 | 0 | 0 | 110.5 | T236 N266 | T236-T264 WeakPolarHBondContact CG2-O 3.4Å; T264-N266 PolarHBondContact O-N 3.34Å |
| 265 | A | 68.6 | Low | 83.5 | Confident | 46 Ų | 46 | 69.8 Ų | 69.8 | 38% | 0.38 | 38% | 0.384 | S | S | . | . | trans | -59.1 | 137.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | T238 P267 K293 | T238-A265 HydrophobicContact CG2-CB 4.49Å; A265-P267 VanDerWaalsContact O-CD 3.23Å; A265-P267 WeakPolarHBondContact O-CD 3Å; A265-P267 VanDerWaalsContact O-N 3.14Å; A265-K293 HydrophobicContact CB-CB 4.31Å | ||
| 266 | N | 65.9 | Low | 83.2 | Confident | 42 Ų | 42 | 74.7 Ų | 74.7 | 23% | 0.225 | 42% | 0.421 | C | S | . | . | trans | -65.2 | 113.3 | 174.4 | -179.2 | -15.4 | 0 | 0 | 0 | 108.2 | E209 T236 T238 T264 S268 A269 | E209-N266 PolarHBondContact OE2-ND2 3.18Å; T236-N266 HydrophobicContact CG2-CB 4.19Å; T238-N266 PolarHBondContact OG1-N 3.22Å; T264-N266 PolarHBondContact O-N 3.34Å; N266-S268 PolarHBondContact O-N 3.24Å; N266-S268 PolarHBondContact OD1-N 3.18Å; N266-A269 HydrophobicContact CB-CB 3.73Å; N266-A269 PolarHBondContact O-N 2.86Å; N266-A269 PolarHBondContact OD1-N 2.99Å | ||
| 267 | P | 62.2 | Low | 82.9 | Confident | 128 Ų | 128 | 76.2 Ų | 76.2 | 83% | 0.831 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -19.4 | -174.4 | 26.8 | -33.1 | 0 | 0 | 0 | 112.6 | A265 | A265-P267 VanDerWaalsContact O-CD 3.23Å; A265-P267 WeakPolarHBondContact O-CD 3Å; A265-P267 VanDerWaalsContact O-N 3.14Å |
| 268 | S | 63.3 | Low | 82.9 | Confident | 109 Ų | 109 | 76.5 Ų | 76.5 | 76% | 0.762 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -7.2 | 177.2 | -53 | 0 | 0 | 0 | 0 | 113.1 | N266 | N266-S268 PolarHBondContact O-N 3.24Å; N266-S268 PolarHBondContact OD1-N 3.18Å |
| 269 | A | 61.8 | Low | 82.9 | Confident | 23 Ų | 23 | 75.2 Ų | 75.2 | 19% | 0.19 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -78 | 131.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | N266 | N266-A269 HydrophobicContact CB-CB 3.73Å; N266-A269 PolarHBondContact O-N 2.86Å; N266-A269 PolarHBondContact OD1-N 2.99Å |
| 270 | P | 65.6 | Low | 82.9 | Confident | 97 Ų | 97 | 76.2 Ų | 76.2 | 63% | 0.63 | 44% | 0.438 | S | S | * | . | trans | -57.5 | 151.2 | 171 | 24.5 | -31.8 | 0 | 0 | 0 | 109.6 | A242 C272 | A242-P270 HydrophobicContact CB-CG 4.17Å; P270-C272 PolarHBondContact O-N 3.19Å | ||
| 271 | R | 71.3 | Confident | 83 | Confident | 257 Ų | 257 | 71 Ų | 71 | 97% | 0.97 | 40% | 0.401 | S | S | * | . | trans | -54.4 | 108.3 | 173.9 | -81.4 | -175.5 | 175.8 | 158.2 | -0.3 | 108.5 | ||||
| 272 | C | 81.2 | Confident | 83.1 | Confident | 35 Ų | 35 | 72.3 Ų | 72.3 | 24% | 0.236 | 41% | 0.408 | C | S | . | . | trans | -94 | 138.4 | 180 | -174.1 | 0 | 0 | 0 | 0 | 110.6 | C241 A242 T245 P270 | C241-C272 VanDerWaalsContact CA-SG 3.54Å; C241-C272 HydrophobicContact CB-CB 3.66Å; C241-C272 WeakPolarHBondContact CB-SG 3.46Å; C241-C272 PolarHBondContact O-SG 3.02Å; C241-C272 WeakPolarHBondContact SG-CB 3.48Å; C241-C272 CovalentContact SG-SG 2.02Å; C241-C272 PolarHBondContact SG-SG 3.02Å; A242-C272 HydrophobicContact CB-CB 4.31Å; A242-C272 PolarHBondContact N-SG 3.1Å; T245-C272 PolarHBondContact OG1-SG 2.74Å; P270-C272 PolarHBondContact O-N 3.19Å | ||
| 273 | M | 87.9 | Confident | 83.4 | Confident | 167 Ų | 167 | 65.4 Ų | 65.4 | 82% | 0.823 | 38% | 0.382 | S | S | * | . | trans | -105 | 119 | 168 | -63.6 | -166.3 | -59.3 | 0 | 0 | 108.4 | ||||
| 274 | W | 93.4 | Very high | 84.1 | Confident | 40 Ų | 40 | 64.6 Ų | 64.6 | 15% | 0.152 | 38% | 0.375 | C | S | . | . | trans | -60.6 | 144.3 | 172.3 | -68.8 | 99.4 | 0 | 0 | 0 | 110.6 | P237 C241 L244 L254 S276 L278 G294 P296 | P237-W274 HydrophobicContact CB-CH2 4.48Å; P237-W274 HydrophobicContact CB-CZ2 3.99Å; P237-W274 WeakPolarHBondContact O-CH2 3.38Å; P237-W274 WeakPolarHBondContact O-CZ2 3.37Å; C241-W274 HydrophobicContact CB-CD2 3.86Å; C241-W274 HydrophobicContact CB-CE3 3.98Å; C241-W274 HydrophobicContact CB-CH2 3.8Å; C241-W274 HydrophobicContact CB-CZ2 3.66Å; C241-W274 HydrophobicContact CB-CZ3 3.95Å; C241-W274 VanDerWaalsContact SG-CD2 3.54Å; L244-W274 HydrophobicContact CD1-CZ3 4.3Å; L254-W274 HydrophobicContact CD2-CH2 4Å; L254-W274 HydrophobicContact CD2-CZ3 3.74Å; W274-S276 PolarHBondContact O-N 3.02Å; W274-L278 HydrophobicContact CD2-CD2 4.11Å; W274-L278 HydrophobicContact CE3-CD2 3.43Å; W274-L278 VanDerWaalsContact CE3-CD2 3.43Å; W274-L278 HydrophobicContact CZ3-CD2 3.8Å; W274-G294 PolarHBondContact NE1-O 2.87Å; W274-P296 HydrophobicContact CB-CB 3.94Å; W274-P296 HydrophobicContact CB-CG 4.04Å; W274-P296 HydrophobicContact CD2-CG 3.71Å; W274-P296 HydrophobicContact CE3-CG 4.34Å; W274-P296 HydrophobicContact CG-CB 3.88Å; W274-P296 HydrophobicContact CG-CG 3.56Å | ||
| 275 | S | 90.7 | Very high | 84.8 | Confident | 28 Ų | 28 | 62.4 Ų | 62.4 | 20% | 0.196 | 36% | 0.358 | C | S | . | . | trans | -60.3 | 139.1 | 171.5 | 176.4 | 0 | 0 | 0 | 0 | 110 | Q250 A277 L278 | Q250-S275 PolarHBondContact OE1-OG 2.05Å; S275-A277 PolarHBondContact O-N 3.07Å; S275-A277 PolarHBondContact OG-N 3.43Å; S275-L278 WeakPolarHBondContact O-CB 3.03Å; S275-L278 PolarHBondContact O-N 3.44Å | ||
| 276 | S | 91.4 | Very high | 86.2 | Confident | 128 Ų | 128 | 60.4 Ų | 60.4 | 90% | 0.895 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -15.3 | 173.6 | 54.8 | 0 | 0 | 0 | 0 | 113.2 | W274 L278 | W274-S276 PolarHBondContact O-N 3.02Å; S276-L278 VanDerWaalsContact C-N 3.35Å |
| 277 | A | 93.6 | Very high | 87.6 | Confident | 33 Ų | 33 | 59.9 Ų | 59.9 | 27% | 0.273 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -21.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | S275 N279 | S275-A277 PolarHBondContact O-N 3.07Å; S275-A277 PolarHBondContact OG-N 3.43Å; A277-N279 PolarHBondContact O-N 3.41Å |
| 278 | L | 97.5 | Very high | 89.3 | Confident | 9 Ų | 9 | 53.9 Ų | 53.9 | 5% | 0.047 | 31% | 0.307 | C | S | . | . | trans | -66.5 | 120.5 | -179 | -174.7 | 70.4 | 0 | 0 | 0 | 109.9 | P251 L254 W274 S275 S276 P296 L299 | P251-L278 WeakPolarHBondContact O-CA 3.33Å; L254-L278 HydrophobicContact CB-CD1 3.86Å; W274-L278 HydrophobicContact CD2-CD2 4.11Å; W274-L278 HydrophobicContact CE3-CD2 3.43Å; W274-L278 VanDerWaalsContact CE3-CD2 3.43Å; W274-L278 HydrophobicContact CZ3-CD2 3.8Å; S275-L278 WeakPolarHBondContact O-CB 3.03Å; S275-L278 PolarHBondContact O-N 3.44Å; S276-L278 VanDerWaalsContact C-N 3.35Å; L278-P296 HydrophobicContact CD2-CG 3.7Å; L278-L299 HydrophobicContact CD2-CD2 4.41Å; L278-L299 HydrophobicContact CG-CD2 4.14Å | ||
| 279 | N | 97.6 | Very high | 90.8 | Very high | 53 Ų | 53 | 54.4 Ų | 54.4 | 28% | 0.283 | 30% | 0.297 | S | S | . | . | trans | -122.3 | -20.4 | -175.7 | 69.1 | 28.6 | 0 | 0 | 0 | 113.4 | H252 A277 R300 V301 | H252-N279 PolarHBondContact O-N 3.46Å; H252-N279 PolarHBondContact O-OD1 2.96Å; A277-N279 PolarHBondContact O-N 3.41Å; N279-R300 HydrophobicContact CB-CB 4.43Å; N279-R300 HydrophobicContact CB-CG 4.28Å; N279-R300 WeakPolarHBondContact O-CA 3.47Å; N279-R300 WeakPolarHBondContact O-CB 3.43Å; N279-R300 PolarHBondContact O-N 3.23Å; N279-V301 PolarHBondContact O-N 3.5Å | ||
| 280 | S | 98.5 | Very high | 92.3 | Very high | 25 Ų | 25 | 59 Ų | 59 | 18% | 0.175 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 127.4 | -174.9 | 177.1 | 0 | 0 | 0 | 0 | 109.7 | H252 S253 L254 V301 | H252-S280 PolarHBondContact O-N 3.23Å; H252-S280 VanDerWaalsContact O-N 3.14Å; S253-S280 WeakPolarHBondContact CA-O 3.45Å; S253-S280 PolarHBondContact OG-OG 3.38Å; L254-S280 PolarHBondContact N-O 2.88Å; S280-V301 WeakPolarHBondContact CA-O 3.33Å |
| 281 | L | 98.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 121.6 | 177.4 | -176.3 | 62.7 | 0 | 0 | 0 | 110 | L254 L256 L283 L295 L299 V301 L302 D303 | L254-L281 HydrophobicContact CB-CD1 3.96Å; L254-L281 HydrophobicContact CD2-CD1 3.89Å; L254-L281 HydrophobicContact CG-CD1 4.01Å; L254-L281 WeakPolarHBondContact O-CA 3.44Å; L256-L281 HydrophobicContact CD1-CD1 4.32Å; L256-L281 HydrophobicContact CG-CD1 4.43Å; L281-L283 HydrophobicContact CD1-CD2 4Å; L281-L283 HydrophobicContact CD2-CD1 4.03Å; L281-L283 HydrophobicContact CD2-CD2 4.16Å; L281-L283 HydrophobicContact CD2-CG 4.16Å; L281-L283 HydrophobicContact CG-CD1 4.38Å; L281-L283 HydrophobicContact CG-CD2 3.91Å; L281-L283 HydrophobicContact CG-CG 3.96Å; L281-L295 HydrophobicContact CD2-CD2 3.78Å; L281-L299 HydrophobicContact CB-CD1 3.81Å; L281-L299 HydrophobicContact CB-CD2 4.4Å; L281-L299 HydrophobicContact CD2-CD1 4.28Å; L281-V301 PolarHBondContact N-O 2.85Å; L281-L302 HydrophobicContact CB-CD1 4.15Å; L281-L302 HydrophobicContact CD2-CD1 4.2Å; L281-L302 HydrophobicContact CG-CD1 4.28Å; L281-L302 WeakPolarHBondContact O-CA 3.42Å; L281-D303 PolarHBondContact O-N 3.44Å |
| 282 | N | 98.8 | Very high | 94.9 | Very high | 37 Ų | 37 | 43.1 Ų | 43.1 | 20% | 0.198 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 118.4 | 175 | -170.5 | -12.5 | 0 | 0 | 0 | 110.6 | L254 D255 L256 S257 S284 D303 | L254-N282 PolarHBondContact O-N 3.04Å; D255-N282 HydrophobicContact CB-CB 4.35Å; L256-N282 CarbonylContact C-O 3.57Å; L256-N282 WeakPolarHBondContact CA-O 3.48Å; L256-N282 PolarHBondContact N-O 3.21Å; S257-N282 PolarHBondContact N-O 3.34Å; N282-S284 VanDerWaalsContact OD1-CB 3.25Å; N282-S284 WeakPolarHBondContact OD1-CB 3.27Å; N282-S284 PolarHBondContact OD1-N 3.29Å; N282-S284 PolarHBondContact OD1-OG 3.12Å; N282-D303 HydrophobicContact CB-CB 4.4Å |
| 283 | L | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -122.5 | 22.7 | 177.7 | -53.3 | 179.5 | 0 | 0 | 0 | 111.1 | P237 L256 L261 L281 A286 L288 P292 L295 L302 D303 L304 N307 | P237-L283 HydrophobicContact CG-CD2 4.43Å; L256-L283 HydrophobicContact CB-CD2 3.98Å; L256-L283 HydrophobicContact CD1-CD2 3.91Å; L256-L283 HydrophobicContact CG-CD2 4.29Å; L261-L283 HydrophobicContact CD1-CD2 3.89Å; L281-L283 HydrophobicContact CD1-CD2 4Å; L281-L283 HydrophobicContact CD2-CD1 4.03Å; L281-L283 HydrophobicContact CD2-CD2 4.16Å; L281-L283 HydrophobicContact CD2-CG 4.16Å; L281-L283 HydrophobicContact CG-CD1 4.38Å; L281-L283 HydrophobicContact CG-CD2 3.91Å; L281-L283 HydrophobicContact CG-CG 3.96Å; L283-A286 VanDerWaalsContact O-CB 3.31Å; L283-A286 WeakPolarHBondContact O-CB 3.45Å; L283-L288 HydrophobicContact CB-CD1 4.07Å; L283-P292 HydrophobicContact CD1-CG 3.96Å; L283-L295 HydrophobicContact CD1-CD2 3.89Å; L283-L302 HydrophobicContact CD1-CD1 4.17Å; L283-L302 HydrophobicContact CG-CD1 4.45Å; L283-D303 CarbonylContact C-O 3.59Å; L283-D303 WeakPolarHBondContact CA-O 3.39Å; L283-D303 PolarHBondContact N-O 3.05Å; L283-L304 HydrophobicContact CB-CD2 3.94Å; L283-L304 HydrophobicContact CD1-CD2 3.97Å; L283-N307 PolarHBondContact O-ND2 3.33Å | ||
| 284 | S | 98.2 | Very high | 95.4 | Very high | 6 Ų | 6 | 42.6 Ų | 42.6 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | 155.9 | 179.4 | 62.4 | 0 | 0 | 0 | 0 | 112.2 | S257 H258 N282 A286 D303 S305 | S257-S284 WeakPolarHBondContact CA-O 3.23Å; S257-S284 WeakPolarHBondContact CB-O 3.33Å; S257-S284 WeakPolarHBondContact CB-OG 3.31Å; H258-S284 PolarHBondContact N-O 3.08Å; H258-S284 VanDerWaalsContact N-O 3.15Å; N282-S284 VanDerWaalsContact OD1-CB 3.25Å; N282-S284 WeakPolarHBondContact OD1-CB 3.27Å; N282-S284 PolarHBondContact OD1-N 3.29Å; N282-S284 PolarHBondContact OD1-OG 3.12Å; S284-A286 PolarHBondContact O-N 3.09Å; S284-D303 PolarHBondContact N-O 3.22Å; S284-S305 WeakPolarHBondContact CA-O 3.02Å; S284-S305 WeakPolarHBondContact CB-O 3.3Å; S284-S305 WeakPolarHBondContact CB-OG 3.46Å |
| 285 | F | 97.4 | Very high | 95.4 | Very high | 47 Ų | 47 | 42 Ų | 42 | 21% | 0.206 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 27.5 | 178.7 | -59.9 | -87.5 | 0 | 0 | 0 | 114.1 | H258 S305 C306 C352 | H258-F285 WeakPolarHBondContact CA-O 3.3Å; H258-F285 AromaticContact CE1-CD2 3.97Å; H258-F285 AromaticContact CE1-CG 3.63Å; H258-F285 AromaticContact NE2-CD2 3.87Å; H258-F285 AromaticContact NE2-CG 3.97Å; F285-S305 PolarHBondContact N-O 3.48Å; F285-C306 WeakPolarHBondContact CA-O 3.35Å; F285-C306 HydrophobicContact CD1-CB 3.67Å; F285-C306 HydrophobicContact CD2-CB 4.11Å; F285-C306 HydrophobicContact CE1-CB 3.4Å; F285-C306 VanDerWaalsContact CE1-CB 3.4Å; F285-C306 HydrophobicContact CE2-CB 3.84Å; F285-C306 HydrophobicContact CG-CB 4Å; F285-C306 HydrophobicContact CZ-CB 3.46Å; F285-C306 VanDerWaalsContact CZ-CB 3.46Å; F285-C306 WeakPolarHBondContact CZ-SG 3.14Å; F285-C306 PolarHBondContact N-O 3.47Å; F285-C352 HydrophobicContact CE1-CB 3.98Å; F285-C352 HydrophobicContact CZ-CB 4.4Å |
| 286 | A | 97.3 | Very high | 95.5 | Very high | 3 Ų | 3 | 41 Ų | 41 | 3% | 0.025 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -96.3 | 0.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | N259 L261 L283 S284 L288 N307 | N259-A286 CarbonylContact O-C 3.54Å; N259-A286 VanDerWaalsContact O-C 3.32Å; N259-A286 WeakPolarHBondContact O-CA 3.31Å; N259-A286 WeakPolarHBondContact O-CB 3.3Å; L261-A286 HydrophobicContact CB-CB 4.06Å; L261-A286 HydrophobicContact CD1-CB 3.68Å; L261-A286 HydrophobicContact CG-CB 3.85Å; L261-A286 PolarHBondContact N-O 2.85Å; L261-A286 VanDerWaalsContact N-O 3.12Å; L283-A286 VanDerWaalsContact O-CB 3.31Å; L283-A286 WeakPolarHBondContact O-CB 3.45Å; S284-A286 PolarHBondContact O-N 3.09Å; A286-L288 HydrophobicContact CB-CD1 4.07Å; A286-L288 HydrophobicContact CB-CG 4.01Å; A286-L288 PolarHBondContact O-N 3.14Å; A286-N307 WeakPolarHBondContact CA-OD1 3.22Å; A286-N307 PolarHBondContact N-OD1 3.11Å; A286-N307 VanDerWaalsContact N-OD1 3.07Å |
| 287 | G | 96 | Very high | 95.6 | Very high | 32 Ų | 32 | 39.1 Ų | 39.1 | 33% | 0.33 | 23% | 0.231 | S | C | . | . | trans | 68.2 | 17.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | E289 N307 | G287-E289 PolarHBondContact O-N 3.43Å; G287-N307 PolarHBondContact N-OD1 3.35Å; G287-N307 VanDerWaalsContact N-OD1 3.13Å | ||
| 288 | L | 96.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | trans | -65.4 | 123.9 | -176.5 | -70.8 | 164.2 | 0 | 0 | 0 | 111.4 | L261 L283 A286 P292 L304 N307 R308 L309 | L261-L288 HydrophobicContact CB-CD2 3.73Å; L261-L288 HydrophobicContact CB-CG 4.17Å; L283-L288 HydrophobicContact CB-CD1 4.07Å; A286-L288 HydrophobicContact CB-CD1 4.07Å; A286-L288 HydrophobicContact CB-CG 4.01Å; A286-L288 PolarHBondContact O-N 3.14Å; L288-P292 HydrophobicContact CD1-CG 4.33Å; L288-P292 HydrophobicContact CD2-CB 4.43Å; L288-P292 HydrophobicContact CD2-CG 4.35Å; L288-L304 HydrophobicContact CD1-CD2 3.97Å; L288-N307 HydrophobicContact CB-CB 4.12Å; L288-N307 WeakPolarHBondContact CB-OD1 3.42Å; L288-N307 PolarHBondContact N-OD1 2.75Å; L288-R308 CarbonylContact O-C 3.52Å; L288-R308 VanDerWaalsContact O-C 3.26Å; L288-R308 WeakPolarHBondContact O-CA 3.37Å; L288-R308 PolarHBondContact O-N 3.16Å; L288-L309 PolarHBondContact O-N 3.35Å | ||
| 289 | E | 95.1 | Very high | 95.7 | Very high | 121 Ų | 121 | 43.6 Ų | 43.6 | 57% | 0.565 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -88.3 | -20.2 | 174.2 | -63.5 | -178 | 176.3 | 0 | 0 | 112.7 | G287 R308 | G287-E289 PolarHBondContact O-N 3.43Å; E289-R308 HydrophobicContact CG-CB 4.07Å |
| 290 | Q | 94.4 | Very high | 95.7 | Very high | 118 Ų | 118 | 48.8 Ų | 48.8 | 55% | 0.551 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -142.1 | 157.8 | 178.4 | -59.2 | 176.8 | 43.4 | 0 | 0 | 109.1 | A263 | A263-Q290 HydrophobicContact CB-CB 3.8Š|
| 291 | V | 95.5 | Very high | 95.7 | Very high | 16 Ų | 16 | 50 Ų | 50 | 10% | 0.097 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 127.2 | 172.1 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | L295 L304 P313 E317 L318 | V291-L295 HydrophobicContact CG1-CD1 3.67Å; V291-L304 HydrophobicContact CG2-CD1 4.35Å; V291-P313 HydrophobicContact CG2-CB 3.7Å; V291-P313 HydrophobicContact CG2-CG 3.68Å; V291-E317 HydrophobicContact CB-CB 4.37Å; V291-E317 WeakPolarHBondContact CG1-O 2.99Å; V291-L318 HydrophobicContact CG1-CD2 4.23Å; V291-L318 HydrophobicContact CG2-CD2 4.24Å |
| 292 | P | 93.9 | Very high | 95.7 | Very high | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.032 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 143.8 | -177.3 | 25.8 | -33.2 | 0 | 0 | 0 | 111.3 | P237 A263 L283 L288 L295 | P237-P292 HydrophobicContact CG-CB 3.89Å; P237-P292 HydrophobicContact CG-CG 3.87Å; A263-P292 WeakPolarHBondContact O-CA 3.46Å; L283-P292 HydrophobicContact CD1-CG 3.96Å; L288-P292 HydrophobicContact CD1-CG 4.33Å; L288-P292 HydrophobicContact CD2-CB 4.43Å; L288-P292 HydrophobicContact CD2-CG 4.35Å; P292-L295 HydrophobicContact CG-CD1 4.4Å; P292-L295 HydrophobicContact CG-CD2 4.03Å; P292-L295 HydrophobicContact CG-CG 4.32Å; P292-L295 WeakPolarHBondContact O-CG 3.42Å |
| 293 | K | 90.4 | Very high | 95.7 | Very high | 148 Ų | 148 | 49.8 Ų | 49.8 | 64% | 0.643 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -73.6 | 153.6 | 174.8 | -65.2 | -174.4 | 179.8 | -178.1 | 0 | 110.9 | T238 A263 A265 | T238-K293 WeakPolarHBondContact CG2-O 2.94Å; A263-K293 PolarHBondContact O-N 3.18Å; A265-K293 HydrophobicContact CB-CB 4.31Å |
| 294 | G | 89.5 | Confident | 95.7 | Very high | 44 Ų | 44 | 49.8 Ų | 49.8 | 45% | 0.454 | 27% | 0.265 | S | S | . | . | S | Bend | trans | 76.4 | 30 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | W274 | W274-G294 PolarHBondContact NE1-O 2.87Š|
| 295 | L | 93.8 | Very high | 95.6 | Very high | 27 Ų | 27 | 50.1 Ų | 50.1 | 14% | 0.141 | 27% | 0.267 | C | S | . | . | trans | -66.3 | 157.4 | 167.5 | -67.7 | 178.2 | 0 | 0 | 0 | 111.5 | P237 L281 L283 V291 P292 L302 | P237-L295 HydrophobicContact CB-CD2 4.34Å; P237-L295 HydrophobicContact CG-CD2 4.48Å; L281-L295 HydrophobicContact CD2-CD2 3.78Å; L283-L295 HydrophobicContact CD1-CD2 3.89Å; V291-L295 HydrophobicContact CG1-CD1 3.67Å; P292-L295 HydrophobicContact CG-CD1 4.4Å; P292-L295 HydrophobicContact CG-CD2 4.03Å; P292-L295 HydrophobicContact CG-CG 4.32Å; P292-L295 WeakPolarHBondContact O-CG 3.42Å; L295-L302 HydrophobicContact CD1-CD2 4.41Å | ||
| 296 | P | 93.8 | Very high | 95.6 | Very high | 8 Ų | 8 | 48.8 Ų | 48.8 | 5% | 0.052 | 26% | 0.263 | C | S | . | . | trans | -58.3 | 143.6 | 173.4 | -15.8 | 26.2 | 0 | 0 | 0 | 110.8 | W274 L278 K298 L299 P319 | W274-P296 HydrophobicContact CB-CB 3.94Å; W274-P296 HydrophobicContact CB-CG 4.04Å; W274-P296 HydrophobicContact CD2-CG 3.71Å; W274-P296 HydrophobicContact CE3-CG 4.34Å; W274-P296 HydrophobicContact CG-CB 3.88Å; W274-P296 HydrophobicContact CG-CG 3.56Å; L278-P296 HydrophobicContact CD2-CG 3.7Å; P296-K298 VanDerWaalsContact C-N 3.25Å; P296-K298 PolarHBondContact O-N 3.12Å; P296-L299 HydrophobicContact CB-CD2 4.31Å; P296-L299 HydrophobicContact CB-CG 4.27Å; P296-L299 HydrophobicContact CG-CD1 4.27Å; P296-L299 HydrophobicContact CG-CD2 4.12Å; P296-L299 HydrophobicContact CG-CG 4.27Å; P296-P319 WeakPolarHBondContact O-CB 3.48Å | ||
| 297 | A | 92.8 | Very high | 95.6 | Very high | 88 Ų | 88 | 49 Ų | 49 | 73% | 0.727 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -63.4 | -29.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q320 | A297-Q320 PolarHBondContact O-N 3.45Š|
| 298 | K | 95.4 | Very high | 95.6 | Very high | 132 Ų | 132 | 54.9 Ų | 54.9 | 57% | 0.574 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 137.7 | -179.6 | -175.8 | 175.3 | -179.9 | 175 | 0 | 110.6 | P296 Q320 | P296-K298 VanDerWaalsContact C-N 3.25Å; P296-K298 PolarHBondContact O-N 3.12Å; K298-Q320 CarbonylContact C-O 3.55Å; K298-Q320 VanDerWaalsContact CA-O 3.3Å; K298-Q320 WeakPolarHBondContact CA-O 3.35Å; K298-Q320 HydrophobicContact CB-CB 4.48Å; K298-Q320 HydrophobicContact CG-CB 4.36Å |
| 299 | L | 97.4 | Very high | 95.5 | Very high | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 157.7 | 173.1 | -73 | 170.8 | 0 | 0 | 0 | 109.5 | L278 L281 P296 L302 P319 Q320 V321 | L278-L299 HydrophobicContact CD2-CD2 4.41Å; L278-L299 HydrophobicContact CG-CD2 4.14Å; L281-L299 HydrophobicContact CB-CD1 3.81Å; L281-L299 HydrophobicContact CB-CD2 4.4Å; L281-L299 HydrophobicContact CD2-CD1 4.28Å; P296-L299 HydrophobicContact CB-CD2 4.31Å; P296-L299 HydrophobicContact CB-CG 4.27Å; P296-L299 HydrophobicContact CG-CD1 4.27Å; P296-L299 HydrophobicContact CG-CD2 4.12Å; P296-L299 HydrophobicContact CG-CG 4.27Å; L299-L302 HydrophobicContact CD1-CB 4.24Å; L299-L302 HydrophobicContact CD1-CD1 4.17Å; L299-P319 HydrophobicContact CD1-CG 4.22Å; L299-Q320 PolarHBondContact N-O 3.33Å; L299-V321 HydrophobicContact CB-CG2 4.31Å; L299-V321 WeakPolarHBondContact O-CA 3.04Å |
| 300 | R | 97.9 | Very high | 95.4 | Very high | 162 Ų | 162 | 55 Ų | 55 | 61% | 0.611 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.1 | -42.2 | 164.6 | -70.1 | -171.1 | 172.5 | -168.6 | -1.9 | 110.6 | N279 D322 N323 | N279-R300 HydrophobicContact CB-CB 4.43Å; N279-R300 HydrophobicContact CB-CG 4.28Å; N279-R300 WeakPolarHBondContact O-CA 3.47Å; N279-R300 WeakPolarHBondContact O-CB 3.43Å; N279-R300 PolarHBondContact O-N 3.23Å; R300-D322 WeakPolarHBondContact O-CB 3.45Å; R300-D322 PolarHBondContact O-N 3.31Å; R300-N323 PolarHBondContact O-N 2.94Å |
| 301 | V | 98.4 | Very high | 95.4 | Very high | 51 Ų | 51 | 54.2 Ų | 54.2 | 31% | 0.309 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 128.7 | -177.1 | -174.4 | 0 | 0 | 0 | 0 | 109.7 | N279 S280 L281 N323 | N279-V301 PolarHBondContact O-N 3.5Å; S280-V301 WeakPolarHBondContact CA-O 3.33Å; L281-V301 PolarHBondContact N-O 2.85Å; V301-N323 WeakPolarHBondContact CA-O 3.13Å; V301-N323 HydrophobicContact CG2-CB 4.39Å |
| 302 | L | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 117.6 | 169 | 178.5 | 59 | 0 | 0 | 0 | 109 | L281 L283 L295 L299 L304 L318 P319 V321 N323 L324 T325 | L281-L302 HydrophobicContact CB-CD1 4.15Å; L281-L302 HydrophobicContact CD2-CD1 4.2Å; L281-L302 HydrophobicContact CG-CD1 4.28Å; L281-L302 WeakPolarHBondContact O-CA 3.42Å; L283-L302 HydrophobicContact CD1-CD1 4.17Å; L283-L302 HydrophobicContact CG-CD1 4.45Å; L295-L302 HydrophobicContact CD1-CD2 4.41Å; L299-L302 HydrophobicContact CD1-CB 4.24Å; L299-L302 HydrophobicContact CD1-CD1 4.17Å; L302-L304 HydrophobicContact CD1-CG 4.32Å; L302-L304 HydrophobicContact CD2-CD1 3.83Å; L302-L304 HydrophobicContact CD2-CG 4.37Å; L302-L304 HydrophobicContact CG-CD1 4.1Å; L302-L304 HydrophobicContact CG-CG 4.11Å; L302-L318 HydrophobicContact CD2-CD2 4.22Å; L302-P319 HydrophobicContact CD2-CG 3.79Å; L302-V321 HydrophobicContact CB-CG2 3.81Å; L302-N323 PolarHBondContact N-O 3.04Å; L302-L324 HydrophobicContact CB-CD1 4.13Å; L302-L324 HydrophobicContact CD2-CD1 4.06Å; L302-L324 HydrophobicContact CG-CD1 4.05Å; L302-L324 WeakPolarHBondContact O-CA 3.2Å; L302-T325 PolarHBondContact O-N 3Å |
| 303 | D | 98.5 | Very high | 95.3 | Very high | 33 Ų | 33 | 63.3 Ų | 63.3 | 18% | 0.176 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 115.6 | 173.7 | -167.3 | -14.4 | 0 | 0 | 0 | 110.2 | L281 N282 L283 S284 S305 | L281-D303 PolarHBondContact O-N 3.44Å; N282-D303 HydrophobicContact CB-CB 4.4Å; L283-D303 CarbonylContact C-O 3.59Å; L283-D303 WeakPolarHBondContact CA-O 3.39Å; L283-D303 PolarHBondContact N-O 3.05Å; S284-D303 PolarHBondContact N-O 3.22Å; D303-S305 WeakPolarHBondContact OD1-CB 3.02Å; D303-S305 PolarHBondContact OD1-N 2.02Å; D303-S305 PolarHBondContact OD1-OG 2.78Å |
| 304 | L | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | trans | -119.9 | 17.2 | 176 | -80.7 | 168.7 | 0 | 0 | 0 | 111.3 | L283 L288 V291 L302 N307 L318 L324 T325 L326 N329 | L283-L304 HydrophobicContact CB-CD2 3.94Å; L283-L304 HydrophobicContact CD1-CD2 3.97Å; L288-L304 HydrophobicContact CD1-CD2 3.97Å; V291-L304 HydrophobicContact CG2-CD1 4.35Å; L302-L304 HydrophobicContact CD1-CG 4.32Å; L302-L304 HydrophobicContact CD2-CD1 3.83Å; L302-L304 HydrophobicContact CD2-CG 4.37Å; L302-L304 HydrophobicContact CG-CD1 4.1Å; L302-L304 HydrophobicContact CG-CG 4.11Å; L304-N307 PolarHBondContact O-ND2 3.01Å; L304-L318 HydrophobicContact CD1-CD2 3.89Å; L304-L324 HydrophobicContact CD1-CD1 4.26Å; L304-T325 CarbonylContact C-O 3.54Å; L304-T325 WeakPolarHBondContact CA-O 3.35Å; L304-T325 PolarHBondContact N-O 3.19Å; L304-L326 HydrophobicContact CB-CD2 3.67Å; L304-L326 HydrophobicContact CD1-CD2 4.24Å; L304-N329 PolarHBondContact O-ND2 3.49Å | ||
| 305 | S | 97.3 | Very high | 95.5 | Very high | 13 Ų | 13 | 66.8 Ų | 66.8 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 157.8 | -179.9 | 63.5 | 0 | 0 | 0 | 0 | 112.9 | S284 F285 D303 N307 T325 D327 | S284-S305 WeakPolarHBondContact CA-O 3.02Å; S284-S305 WeakPolarHBondContact CB-O 3.3Å; S284-S305 WeakPolarHBondContact CB-OG 3.46Å; F285-S305 PolarHBondContact N-O 3.48Å; D303-S305 WeakPolarHBondContact OD1-CB 3.02Å; D303-S305 PolarHBondContact OD1-N 2.02Å; D303-S305 PolarHBondContact OD1-OG 2.78Å; S305-N307 PolarHBondContact O-N 3.39Å; S305-N307 VanDerWaalsContact O-N 3.15Å; S305-N307 PolarHBondContact O-ND2 3.46Å; S305-T325 PolarHBondContact N-O 2.99Å; S305-D327 CarbonylContact C-O 3.58Å; S305-D327 WeakPolarHBondContact CA-O 3.43Å; S305-D327 VanDerWaalsContact CB-O 3.23Å; S305-D327 WeakPolarHBondContact CB-O 3.38Å |
| 306 | C | 96.8 | Very high | 95.3 | Very high | 19 Ų | 19 | 71.6 Ų | 71.6 | 13% | 0.128 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53 | 40.8 | 173 | -65.1 | 0 | 0 | 0 | 0 | 114.4 | F285 D327 C352 | F285-C306 WeakPolarHBondContact CA-O 3.35Å; F285-C306 HydrophobicContact CD1-CB 3.67Å; F285-C306 HydrophobicContact CD2-CB 4.11Å; F285-C306 HydrophobicContact CE1-CB 3.4Å; F285-C306 VanDerWaalsContact CE1-CB 3.4Å; F285-C306 HydrophobicContact CE2-CB 3.84Å; F285-C306 HydrophobicContact CG-CB 4Å; F285-C306 HydrophobicContact CZ-CB 3.46Å; F285-C306 VanDerWaalsContact CZ-CB 3.46Å; F285-C306 WeakPolarHBondContact CZ-SG 3.14Å; F285-C306 PolarHBondContact N-O 3.47Å; C306-D327 PolarHBondContact N-O 3.08Å; C306-C352 WeakPolarHBondContact CA-SG 3.5Å; C306-C352 HydrophobicContact CB-CB 3.88Å; C306-C352 WeakPolarHBondContact CB-SG 3.25Å; C306-C352 WeakPolarHBondContact SG-CA 3.29Å; C306-C352 WeakPolarHBondContact SG-CB 3.4Å; C306-C352 CovalentContact SG-SG 2.04Å; C306-C352 PolarHBondContact SG-SG 2.96Å |
| 307 | N | 97.1 | Very high | 95.3 | Very high | 9 Ų | 9 | 73.8 Ų | 73.8 | 5% | 0.048 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -105 | -170.4 | 171.9 | -80.9 | -61.6 | 0 | 0 | 0 | 110.6 | L283 A286 G287 L288 L304 S305 L309 N329 P330 | L283-N307 PolarHBondContact O-ND2 3.33Å; A286-N307 WeakPolarHBondContact CA-OD1 3.22Å; A286-N307 PolarHBondContact N-OD1 3.11Å; A286-N307 VanDerWaalsContact N-OD1 3.07Å; G287-N307 PolarHBondContact N-OD1 3.35Å; G287-N307 VanDerWaalsContact N-OD1 3.13Å; L288-N307 HydrophobicContact CB-CB 4.12Å; L288-N307 WeakPolarHBondContact CB-OD1 3.42Å; L288-N307 PolarHBondContact N-OD1 2.75Å; L304-N307 PolarHBondContact O-ND2 3.01Å; S305-N307 PolarHBondContact O-N 3.39Å; S305-N307 VanDerWaalsContact O-N 3.15Å; S305-N307 PolarHBondContact O-ND2 3.46Å; N307-L309 HydrophobicContact CB-CG 4.23Å; N307-N329 VanDerWaalsContact CA-OD1 3.31Å; N307-N329 WeakPolarHBondContact CA-OD1 3.33Å; N307-N329 WeakPolarHBondContact CB-OD1 3.45Å; N307-N329 PolarHBondContact N-OD1 3.33Å; N307-N329 PolarHBondContact O-OD1 3.33Å; N307-P330 WeakPolarHBondContact O-CD 3.4Å |
| 308 | R | 96.2 | Very high | 95.4 | Very high | 155 Ų | 155 | 71.3 Ų | 71.3 | 59% | 0.585 | 33% | 0.328 | S | S | * | . | trans | -109.5 | 31 | -178.2 | -60.1 | -178.5 | -178.4 | -155.3 | 0.6 | 111.7 | L288 E289 N310 | L288-R308 CarbonylContact O-C 3.52Å; L288-R308 VanDerWaalsContact O-C 3.26Å; L288-R308 WeakPolarHBondContact O-CA 3.37Å; L288-R308 PolarHBondContact O-N 3.16Å; E289-R308 HydrophobicContact CG-CB 4.07Å; R308-N310 PolarHBondContact O-N 2.63Å | ||
| 309 | L | 95.6 | Very high | 95.3 | Very high | 4 Ų | 4 | 65.9 Ų | 65.9 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | trans | -67.2 | 117.6 | -179.4 | -56.6 | 177.3 | 0 | 0 | 0 | 109.8 | L288 N307 P313 L326 N329 P330 F331 | L288-L309 PolarHBondContact O-N 3.35Å; N307-L309 HydrophobicContact CB-CG 4.23Å; L309-P313 HydrophobicContact CD1-CG 4.16Å; L309-L326 HydrophobicContact CD1-CD2 4.14Å; L309-N329 HydrophobicContact CB-CB 4.17Å; L309-N329 VanDerWaalsContact CB-OD1 3.3Å; L309-N329 WeakPolarHBondContact CB-OD1 3.48Å; L309-N329 WeakPolarHBondContact CG-OD1 3.39Å; L309-N329 PolarHBondContact N-OD1 2.97Å; L309-P330 WeakPolarHBondContact O-CD 3.13Å; L309-F331 HydrophobicContact CB-CD1 3.77Å; L309-F331 HydrophobicContact CB-CE1 3.94Å; L309-F331 HydrophobicContact CD1-CE1 4.25Å; L309-F331 VanDerWaalsContact O-CD1 3.32Å; L309-F331 WeakPolarHBondContact O-CD1 3.47Å; L309-F331 PolarHBondContact O-N 3.47Å; L309-F331 VanDerWaalsContact O-N 3.15Å | ||
| 310 | N | 92.7 | Very high | 95.2 | Very high | 121 Ų | 121 | 72.6 Ų | 72.6 | 65% | 0.647 | 34% | 0.337 | S | S | * | . | trans | -91.5 | -5.5 | -178.7 | -68.3 | -39.4 | 0 | 0 | 0 | 113.8 | R308 | R308-N310 PolarHBondContact O-N 2.63Š| ||
| 311 | R | 93.6 | Very high | 95.1 | Very high | 101 Ų | 101 | 66.7 Ų | 66.7 | 38% | 0.381 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -141.5 | 158.2 | 172.4 | 64.2 | 174 | 176 | 82.9 | -4.2 | 110.3 | E317 F331 | R311-E317 IonicContact CZ-OE1 3.31Å; R311-E317 VanDerWaalsContact CZ-OE1 3.31Å; R311-E317 IonicContact CZ-OE2 3.48Å; R311-E317 IonicContact NH1-OE1 2.89Å; R311-E317 PolarHBondContact NH1-OE1 3.03Å; R311-E317 VanDerWaalsContact NH1-OE1 3.16Å; R311-E317 IonicContact NH1-OE2 3.8Å; R311-E317 PolarHBondContact NH1-OE2 3.26Å; R311-E317 IonicContact NH2-OE1 2.63Å; R311-E317 PolarHBondContact NH2-OE1 3.13Å; R311-E317 IonicContact NH2-OE2 3.35Å; R311-E317 PolarHBondContact NH2-OE2 2.97Å; R311-F331 WeakPolarHBondContact O-CD1 3.44Å |
| 312 | R | 93.6 | Very high | 95 | Very high | 196 Ų | 196 | 70 Ų | 70 | 74% | 0.74 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 131.2 | 171.1 | -165.5 | 169.9 | -176 | 170 | 1.2 | 109.6 | F331 | R312-F331 HydrophobicContact CB-CD2 4.01Å; R312-F331 HydrophobicContact CB-CE2 4.03Å; R312-F331 HydrophobicContact CG-CD2 4.48Å; R312-F331 HydrophobicContact CG-CE2 4.01Å |
| 313 | P | 94.8 | Very high | 95 | Very high | 15 Ų | 15 | 74.4 Ų | 74.4 | 10% | 0.097 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 141.4 | 172.9 | -28.5 | 36.6 | 0 | 0 | 0 | 112 | V291 L309 L318 L326 | V291-P313 HydrophobicContact CG2-CB 3.7Å; V291-P313 HydrophobicContact CG2-CG 3.68Å; L309-P313 HydrophobicContact CD1-CG 4.16Å; P313-L318 HydrophobicContact CB-CD1 3.77Å; P313-L318 HydrophobicContact CB-CD2 4.06Å; P313-L318 HydrophobicContact CB-CG 3.81Å; P313-L326 HydrophobicContact CG-CD2 4.17Å |
| 314 | R | 93.1 | Very high | 94.9 | Very high | 145 Ų | 145 | 75.7 Ų | 75.7 | 55% | 0.547 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -82.5 | 156.2 | 175.5 | -62.2 | 175.5 | 176.9 | -176.9 | 0.4 | 110.7 | D316 E317 L318 | R314-D316 WeakPolarHBondContact CB-OD1 3.49Å; R314-D316 PolarHBondContact O-N 2.91Å; R314-E317 HydrophobicContact CB-CG 4.18Å; R314-E317 PolarHBondContact N-OE2 3.43Å; R314-E317 WeakPolarHBondContact O-CB 3.35Å; R314-E317 PolarHBondContact O-N 3.44Å; R314-L318 PolarHBondContact O-N 3.31Å |
| 315 | P | 90.8 | Very high | 94.9 | Very high | 120 Ų | 120 | 77.6 Ų | 77.6 | 78% | 0.779 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -32.1 | 178.1 | -26.2 | 35.5 | 0 | 0 | 0 | 114.3 | E317 | P315-E317 VanDerWaalsContact C-N 3.32Š|
| 316 | D | 90.3 | Very high | 94.9 | Very high | 129 Ų | 129 | 78.1 Ų | 78.1 | 69% | 0.69 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -15.1 | 178.4 | 59.1 | -55.6 | 0 | 0 | 0 | 114 | R314 | R314-D316 WeakPolarHBondContact CB-OD1 3.49Å; R314-D316 PolarHBondContact O-N 2.91Å |
| 317 | E | 92 | Very high | 94.8 | Very high | 54 Ų | 54 | 82.1 Ų | 82.1 | 25% | 0.252 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -20.4 | 177.2 | -66.6 | 169.4 | 174.5 | 0 | 0 | 112.4 | V291 R311 R314 P315 | V291-E317 HydrophobicContact CB-CB 4.37Å; V291-E317 WeakPolarHBondContact CG1-O 2.99Å; R311-E317 IonicContact CZ-OE1 3.31Å; R311-E317 VanDerWaalsContact CZ-OE1 3.31Å; R311-E317 IonicContact CZ-OE2 3.48Å; R311-E317 IonicContact NH1-OE1 2.89Å; R311-E317 PolarHBondContact NH1-OE1 3.03Å; R311-E317 VanDerWaalsContact NH1-OE1 3.16Å; R311-E317 IonicContact NH1-OE2 3.8Å; R311-E317 PolarHBondContact NH1-OE2 3.26Å; R311-E317 IonicContact NH2-OE1 2.63Å; R311-E317 PolarHBondContact NH2-OE1 3.13Å; R311-E317 IonicContact NH2-OE2 3.35Å; R311-E317 PolarHBondContact NH2-OE2 2.97Å; R314-E317 HydrophobicContact CB-CG 4.18Å; R314-E317 PolarHBondContact N-OE2 3.43Å; R314-E317 WeakPolarHBondContact O-CB 3.35Å; R314-E317 PolarHBondContact O-N 3.44Å; P315-E317 VanDerWaalsContact C-N 3.32Å |
| 318 | L | 94.9 | Very high | 94.7 | Very high | 36 Ų | 36 | 83.2 Ų | 83.2 | 19% | 0.188 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -101.1 | 149.2 | -177.1 | -70 | 172.9 | 0 | 0 | 0 | 111 | V291 L302 L304 P313 R314 L324 | V291-L318 HydrophobicContact CG1-CD2 4.23Å; V291-L318 HydrophobicContact CG2-CD2 4.24Å; L302-L318 HydrophobicContact CD2-CD2 4.22Å; L304-L318 HydrophobicContact CD1-CD2 3.89Å; P313-L318 HydrophobicContact CB-CD1 3.77Å; P313-L318 HydrophobicContact CB-CD2 4.06Å; P313-L318 HydrophobicContact CB-CG 3.81Å; R314-L318 PolarHBondContact O-N 3.31Å; L318-L324 HydrophobicContact CD1-CD2 3.63Å; L318-L324 HydrophobicContact CD2-CD2 4.5Å |
| 319 | P | 93.8 | Very high | 94.6 | Very high | 17 Ų | 17 | 75.9 Ų | 75.9 | 11% | 0.11 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 167.3 | 168.2 | 35.7 | -37.7 | 0 | 0 | 0 | 111.3 | P296 L299 L302 V321 | P296-P319 WeakPolarHBondContact O-CB 3.48Å; L299-P319 HydrophobicContact CD1-CG 4.22Å; L302-P319 HydrophobicContact CD2-CG 3.79Å; P319-V321 PolarHBondContact O-N 2.89Å |
| 320 | Q | 95.7 | Very high | 94.5 | Very high | 144 Ų | 144 | 77.4 Ų | 77.4 | 67% | 0.673 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65 | 117.8 | 165.8 | -67.3 | -174.9 | -0.9 | 0 | 0 | 108.6 | A297 K298 L299 | A297-Q320 PolarHBondContact O-N 3.45Å; K298-Q320 CarbonylContact C-O 3.55Å; K298-Q320 VanDerWaalsContact CA-O 3.3Å; K298-Q320 WeakPolarHBondContact CA-O 3.35Å; K298-Q320 HydrophobicContact CB-CB 4.48Å; K298-Q320 HydrophobicContact CG-CB 4.36Å; L299-Q320 PolarHBondContact N-O 3.33Å |
| 321 | V | 96.6 | Very high | 94.5 | Very high | 38 Ų | 38 | 73.7 Ų | 73.7 | 23% | 0.23 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 136.8 | -173.7 | 66 | 0 | 0 | 0 | 0 | 112 | L299 L302 P319 N323 L324 | L299-V321 HydrophobicContact CB-CG2 4.31Å; L299-V321 WeakPolarHBondContact O-CA 3.04Å; L302-V321 HydrophobicContact CB-CG2 3.81Å; P319-V321 PolarHBondContact O-N 2.89Å; V321-N323 VanDerWaalsContact CG2-O 3.24Å; V321-N323 WeakPolarHBondContact CG2-O 3.47Å; V321-L324 HydrophobicContact CG1-CB 3.87Å; V321-L324 HydrophobicContact CG1-CD2 4.43Å |
| 322 | D | 96.3 | Very high | 94.3 | Very high | 122 Ų | 122 | 72.9 Ų | 72.9 | 65% | 0.652 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | -42.2 | 178.5 | -56.1 | -29.4 | 0 | 0 | 0 | 111.4 | R300 | R300-D322 WeakPolarHBondContact O-CB 3.45Å; R300-D322 PolarHBondContact O-N 3.31Å |
| 323 | N | 97.6 | Very high | 93.6 | Very high | 92 Ų | 92 | 67.4 Ų | 67.4 | 49% | 0.492 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 117.2 | 178.9 | -170.8 | 3.5 | 0 | 0 | 0 | 111.3 | R300 V301 L302 V321 | R300-N323 PolarHBondContact O-N 2.94Å; V301-N323 WeakPolarHBondContact CA-O 3.13Å; V301-N323 HydrophobicContact CG2-CB 4.39Å; L302-N323 PolarHBondContact N-O 3.04Å; V321-N323 VanDerWaalsContact CG2-O 3.24Å; V321-N323 WeakPolarHBondContact CG2-O 3.47Å |
| 324 | L | 97.5 | Very high | 91.9 | Very high | 59 Ų | 59 | 72.9 Ų | 72.9 | 31% | 0.309 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 119.6 | -177.9 | 175.4 | 61.8 | 0 | 0 | 0 | 110.6 | L302 L304 L318 V321 L326 | L302-L324 HydrophobicContact CB-CD1 4.13Å; L302-L324 HydrophobicContact CD2-CD1 4.06Å; L302-L324 HydrophobicContact CG-CD1 4.05Å; L302-L324 WeakPolarHBondContact O-CA 3.2Å; L304-L324 HydrophobicContact CD1-CD1 4.26Å; L318-L324 HydrophobicContact CD1-CD2 3.63Å; L318-L324 HydrophobicContact CD2-CD2 4.5Å; V321-L324 HydrophobicContact CG1-CB 3.87Å; V321-L324 HydrophobicContact CG1-CD2 4.43Å; L324-L326 HydrophobicContact CD1-CD2 4.39Å; L324-L326 HydrophobicContact CD1-CG 4.25Å; L324-L326 HydrophobicContact CD2-CD1 3.86Å; L324-L326 HydrophobicContact CD2-CG 4.3Å; L324-L326 HydrophobicContact CG-CD1 4.1Å; L324-L326 HydrophobicContact CG-CG 4.02Å |
| 325 | T | 97.6 | Very high | 90.2 | Very high | 40 Ų | 40 | 69.6 Ų | 69.6 | 25% | 0.245 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 126.4 | 175.9 | -47.1 | 0 | 0 | 0 | 0 | 110.2 | L302 L304 S305 | L302-T325 PolarHBondContact O-N 3Å; L304-T325 CarbonylContact C-O 3.54Å; L304-T325 WeakPolarHBondContact CA-O 3.35Å; L304-T325 PolarHBondContact N-O 3.19Å; S305-T325 PolarHBondContact N-O 2.99Å |
| 326 | L | 96.6 | Very high | 88.3 | Confident | 25 Ų | 25 | 68.1 Ų | 68.1 | 13% | 0.131 | 40% | 0.399 | C | S | . | . | trans | -128.6 | 4.8 | -179.2 | -71.3 | 168.2 | 0 | 0 | 0 | 113.6 | L304 L309 P313 L324 N329 F331 L332 | L304-L326 HydrophobicContact CB-CD2 3.67Å; L304-L326 HydrophobicContact CD1-CD2 4.24Å; L309-L326 HydrophobicContact CD1-CD2 4.14Å; P313-L326 HydrophobicContact CG-CD2 4.17Å; L324-L326 HydrophobicContact CD1-CD2 4.39Å; L324-L326 HydrophobicContact CD1-CG 4.25Å; L324-L326 HydrophobicContact CD2-CD1 3.86Å; L324-L326 HydrophobicContact CD2-CG 4.3Å; L324-L326 HydrophobicContact CG-CD1 4.1Å; L324-L326 HydrophobicContact CG-CG 4.02Å; L326-N329 PolarHBondContact O-ND2 3.3Å; L326-F331 HydrophobicContact CB-CZ 4.03Å; L326-F331 HydrophobicContact CD1-CZ 4.09Å; L326-F331 HydrophobicContact CD2-CZ 4.48Å; L326-F331 HydrophobicContact CG-CZ 4.44Å; L326-L332 HydrophobicContact CB-CD1 4.48Å; L326-L332 WeakPolarHBondContact O-CD1 3.49Å | ||
| 327 | D | 95.3 | Very high | 86.1 | Confident | 103 Ų | 103 | 66.4 Ų | 66.4 | 55% | 0.551 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 147.4 | -172.4 | -65.5 | -28.2 | 0 | 0 | 0 | 112.6 | S305 C306 N329 | S305-D327 CarbonylContact C-O 3.58Å; S305-D327 WeakPolarHBondContact CA-O 3.43Å; S305-D327 VanDerWaalsContact CB-O 3.23Å; S305-D327 WeakPolarHBondContact CB-O 3.38Å; C306-D327 PolarHBondContact N-O 3.08Å; D327-N329 VanDerWaalsContact C-N 3.3Å; D327-N329 PolarHBondContact O-N 3.12Å |
| 328 | G | 93.3 | Very high | 83.5 | Confident | 31 Ų | 31 | 71.1 Ų | 71.1 | 32% | 0.32 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116 | C352 | G328-C352 VanDerWaalsContact CA-SG 3.57Š|
| 329 | N | 95.3 | Very high | 81 | Confident | 1 Ų | 1 | 75.4 Ų | 75.4 | 1% | 0.005 | 46% | 0.459 | C | S | . | . | trans | -79.4 | 146 | 170.4 | -79.2 | -79.5 | 0 | 0 | 0 | 112.4 | L304 N307 L309 L326 D327 F331 L332 | L304-N329 PolarHBondContact O-ND2 3.49Å; N307-N329 VanDerWaalsContact CA-OD1 3.31Å; N307-N329 WeakPolarHBondContact CA-OD1 3.33Å; N307-N329 WeakPolarHBondContact CB-OD1 3.45Å; N307-N329 PolarHBondContact N-OD1 3.33Å; N307-N329 PolarHBondContact O-OD1 3.33Å; L309-N329 HydrophobicContact CB-CB 4.17Å; L309-N329 VanDerWaalsContact CB-OD1 3.3Å; L309-N329 WeakPolarHBondContact CB-OD1 3.48Å; L309-N329 WeakPolarHBondContact CG-OD1 3.39Å; L309-N329 PolarHBondContact N-OD1 2.97Å; L326-N329 PolarHBondContact O-ND2 3.3Å; D327-N329 VanDerWaalsContact C-N 3.3Å; D327-N329 PolarHBondContact O-N 3.12Å; N329-F331 VanDerWaalsContact C-N 3.29Å; N329-F331 HydrophobicContact CB-CD1 3.6Å; N329-F331 HydrophobicContact CB-CE1 3.41Å; N329-F331 VanDerWaalsContact CB-CE1 3.41Å; N329-F331 HydrophobicContact CB-CZ 4.35Å; N329-F331 PolarHBondContact O-N 2.93Å; N329-L332 WeakPolarHBondContact O-CB 3.45Å; N329-L332 PolarHBondContact O-N 3.41Å; N329-L332 VanDerWaalsContact O-N 3.08Å | ||
| 330 | P | 94.2 | Very high | 78.1 | Confident | 37 Ų | 37 | 83.4 Ų | 83.4 | 24% | 0.24 | 50% | 0.495 | C | S | . | . | G | 310 helix | trans | -54.1 | -35.6 | -178.8 | -28.9 | 33.3 | 0 | 0 | 0 | 115.6 | N307 L309 L332 V333 | N307-P330 WeakPolarHBondContact O-CD 3.4Å; L309-P330 WeakPolarHBondContact O-CD 3.13Å; P330-L332 PolarHBondContact O-N 3.03Å; P330-L332 VanDerWaalsContact O-N 3.15Å; P330-V333 PolarHBondContact O-N 2.97Å |
| 331 | F | 92.1 | Very high | 75.5 | Confident | 43 Ų | 43 | 86.1 Ų | 86.1 | 19% | 0.189 | 51% | 0.507 | C | S | . | . | G | 310 helix | trans | -65 | -16.3 | -179.4 | 76.8 | -96.6 | 0 | 0 | 0 | 114.3 | L309 R311 R312 L326 N329 | L309-F331 HydrophobicContact CB-CD1 3.77Å; L309-F331 HydrophobicContact CB-CE1 3.94Å; L309-F331 HydrophobicContact CD1-CE1 4.25Å; L309-F331 VanDerWaalsContact O-CD1 3.32Å; L309-F331 WeakPolarHBondContact O-CD1 3.47Å; L309-F331 PolarHBondContact O-N 3.47Å; L309-F331 VanDerWaalsContact O-N 3.15Å; R311-F331 WeakPolarHBondContact O-CD1 3.44Å; R312-F331 HydrophobicContact CB-CD2 4.01Å; R312-F331 HydrophobicContact CB-CE2 4.03Å; R312-F331 HydrophobicContact CG-CD2 4.48Å; R312-F331 HydrophobicContact CG-CE2 4.01Å; L326-F331 HydrophobicContact CB-CZ 4.03Å; L326-F331 HydrophobicContact CD1-CZ 4.09Å; L326-F331 HydrophobicContact CD2-CZ 4.48Å; L326-F331 HydrophobicContact CG-CZ 4.44Å; N329-F331 VanDerWaalsContact C-N 3.29Å; N329-F331 HydrophobicContact CB-CD1 3.6Å; N329-F331 HydrophobicContact CB-CE1 3.41Å; N329-F331 VanDerWaalsContact CB-CE1 3.41Å; N329-F331 HydrophobicContact CB-CZ 4.35Å; N329-F331 PolarHBondContact O-N 2.93Å |
| 332 | L | 88.6 | Confident | 72.9 | Confident | 84 Ų | 84 | 87.9 Ų | 87.9 | 44% | 0.44 | 53% | 0.534 | S | S | . | . | G | 310 helix | trans | -87.2 | -12.9 | 176.1 | -67.4 | 173.3 | 0 | 0 | 0 | 112.6 | L326 N329 P330 P334 | L326-L332 HydrophobicContact CB-CD1 4.48Å; L326-L332 WeakPolarHBondContact O-CD1 3.49Å; N329-L332 WeakPolarHBondContact O-CB 3.45Å; N329-L332 PolarHBondContact O-N 3.41Å; N329-L332 VanDerWaalsContact O-N 3.08Å; P330-L332 PolarHBondContact O-N 3.03Å; P330-L332 VanDerWaalsContact O-N 3.15Å; L332-P334 VanDerWaalsContact O-CD 3.32Å; L332-P334 WeakPolarHBondContact O-CD 3.03Å |
| 333 | V | 80.1 | Confident | 69.7 | Low | 81 Ų | 81 | 87.7 Ų | 87.7 | 49% | 0.491 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -86 | 113.4 | 177.4 | -175.1 | 0 | 0 | 0 | 0 | 108.5 | P330 G335 T336 | P330-V333 PolarHBondContact O-N 2.97Å; V333-G335 PolarHBondContact O-N 2.78Å; V333-T336 HydrophobicContact CB-CG2 4.41Å; V333-T336 HydrophobicContact CG1-CG2 4.34Å |
| 334 | P | 57.9 | Low | 67.1 | Low | 129 Ų | 129 | 91.7 Ų | 91.7 | 84% | 0.838 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | 123.3 | 176.3 | -14.6 | 29.4 | 0 | 0 | 0 | 109.7 | L332 | L332-P334 VanDerWaalsContact O-CD 3.32Å; L332-P334 WeakPolarHBondContact O-CD 3.03Å |
| 335 | G | 57 | Low | 64.4 | Low | 76 Ų | 76 | 96.7 Ų | 96.7 | 78% | 0.784 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 116.1 | 2.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | V333 A337 | V333-G335 PolarHBondContact O-N 2.78Å; G335-A337 VanDerWaalsContact C-N 3.32Å; G335-A337 PolarHBondContact O-N 2.76Å |
| 336 | T | 52.3 | Low | 61.4 | Low | 90 Ų | 90 | 99.5 Ų | 99.5 | 55% | 0.552 | 61% | 0.608 | S | S | * | * | trans | -87.5 | 7.8 | 179.8 | 51.8 | 0 | 0 | 0 | 0 | 114.9 | V333 L338 | V333-T336 HydrophobicContact CB-CG2 4.41Å; V333-T336 HydrophobicContact CG1-CG2 4.34Å; T336-L338 PolarHBondContact O-N 3.44Å; T336-L338 VanDerWaalsContact O-N 3.09Å | ||
| 337 | A | 43.4 | Very low | 58.6 | Low | 92 Ų | 92 | 102.4 Ų | 102.4 | 76% | 0.76 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -79.1 | 89.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | G335 | G335-A337 VanDerWaalsContact C-N 3.32Å; G335-A337 PolarHBondContact O-N 2.76Å |
| 338 | L | 37.3 | Very low | 56 | Low | 153 Ų | 153 | 102.8 Ų | 102.8 | 80% | 0.801 | 65% | 0.65 | S | S | * | * | S | Bend | trans | 123 | 141.2 | 164.7 | -68.6 | 159.4 | 0 | 0 | 0 | 113.7 | T336 Q340 | T336-L338 PolarHBondContact O-N 3.44Å; T336-L338 VanDerWaalsContact O-N 3.09Å; L338-Q340 PolarHBondContact O-N 3.38Å |
| 339 | P | 41.8 | Very low | 53.5 | Low | 126 Ų | 126 | 105.2 Ų | 105.2 | 82% | 0.818 | 66% | 0.658 | S | S | * | * | trans | -77.9 | 112.6 | 177.4 | 31.3 | -29 | 0 | 0 | 0 | 109.1 | ||||
| 340 | Q | 33.8 | Very low | 51.6 | Low | 185 Ų | 185 | 109.1 Ų | 109.1 | 86% | 0.864 | 68% | 0.684 | S | S | * | * | trans | -126.8 | 121.5 | 160.5 | -77.4 | -168.8 | -16.1 | 0 | 0 | 109.5 | L338 | L338-Q340 PolarHBondContact O-N 3.38Š| ||
| 341 | E | 41.4 | Very low | 50.1 | Low | 201 Ų | 201 | 110.3 Ų | 110.3 | 94% | 0.939 | 70% | 0.697 | S | S | * | * | trans | -51.9 | 138.8 | 165.6 | -73.5 | 177.1 | 133.8 | 0 | 0 | 110.5 | ||||
| 342 | G | 41.2 | Very low | 48.9 | Very low | 76 Ų | 76 | 109.5 Ų | 109.5 | 78% | 0.784 | 70% | 0.696 | S | S | * | * | trans | 87.3 | 90.6 | 158.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 343 | S | 30.2 | Very low | 47.2 | Very low | 117 Ų | 117 | 107.2 Ų | 107.2 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | trans | -161.4 | 105.2 | 131.8 | -164.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 344 | M | 41.6 | Very low | 45.6 | Very low | 177 Ų | 177 | 112.8 Ų | 112.8 | 87% | 0.872 | 70% | 0.701 | S | S | * | * | trans | -63.1 | 154.1 | 156.5 | -79.4 | 178.8 | 160.8 | 0 | 0 | 109.3 | ||||
| 345 | N | 41.3 | Very low | 45 | Very low | 164 Ų | 164 | 109.3 Ų | 109.3 | 88% | 0.877 | 68% | 0.68 | S | S | * | * | trans | 83.8 | 78.9 | 174.5 | -56.8 | -16.3 | 0 | 0 | 0 | 116.9 | ||||
| 346 | S | 35.4 | Very low | 44.2 | Very low | 98 Ų | 98 | 109.6 Ų | 109.6 | 69% | 0.685 | 67% | 0.667 | S | S | * | * | trans | -131.8 | 113.9 | 142.1 | -168.5 | 0 | 0 | 0 | 0 | 108.3 | V348 | S346-V348 PolarHBondContact O-N 3.3Å; S346-V348 WeakPolarHBondContact OG-CG2 3.23Å | ||
| 347 | G | 37.2 | Very low | 43.6 | Very low | 87 Ų | 87 | 112.3 Ų | 112.3 | 90% | 0.897 | 68% | 0.677 | S | S | * | * | trans | -70.3 | 28.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | V349 | G347-V349 PolarHBondContact O-N 2.85Š| ||
| 348 | V | 39.8 | Very low | 43.1 | Very low | 110 Ų | 110 | 113 Ų | 113 | 67% | 0.667 | 68% | 0.676 | S | S | * | * | trans | -85.1 | 100.2 | 173.2 | -179.3 | 0 | 0 | 0 | 0 | 106.8 | S346 P350 | S346-V348 PolarHBondContact O-N 3.3Å; S346-V348 WeakPolarHBondContact OG-CG2 3.23Å; V348-P350 VanDerWaalsContact O-CD 3.29Å; V348-P350 WeakPolarHBondContact O-CD 3.42Å; V348-P350 VanDerWaalsContact O-N 3.16Å | ||
| 349 | V | 41 | Very low | 43.2 | Very low | 83 Ų | 83 | 110.3 Ų | 110.3 | 50% | 0.503 | 67% | 0.666 | S | S | . | * | trans | -55.9 | 118.6 | 167.3 | 179.2 | 0 | 0 | 0 | 0 | 107 | G347 A351 A353 R354 | G347-V349 PolarHBondContact O-N 2.85Å; V349-A351 PolarHBondContact O-N 3.31Å; V349-A353 HydrophobicContact CG1-CB 3.68Å; V349-R354 HydrophobicContact CG1-CG 4.2Å | ||
| 350 | P | 56 | Low | 42.9 | Very low | 83 Ų | 83 | 108 Ų | 108 | 54% | 0.539 | 67% | 0.665 | S | S | . | * | trans | -55.3 | 142.3 | 177.4 | -22.3 | 31.3 | 0 | 0 | 0 | 109.4 | V348 C352 A353 | V348-P350 VanDerWaalsContact O-CD 3.29Å; V348-P350 WeakPolarHBondContact O-CD 3.42Å; V348-P350 VanDerWaalsContact O-N 3.16Å; P350-C352 PolarHBondContact O-N 3.12Å; P350-A353 HydrophobicContact CB-CB 4.41Å; P350-A353 HydrophobicContact CG-CB 4.43Å; P350-A353 WeakPolarHBondContact O-CB 3.38Å; P350-A353 PolarHBondContact O-N 2.92Å | ||
| 351 | A | 62.3 | Low | 42.8 | Very low | 62 Ų | 62 | 105.3 Ų | 105.3 | 51% | 0.512 | 66% | 0.661 | S | S | . | * | G | 310 helix | trans | -48.2 | -32.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V349 | V349-A351 PolarHBondContact O-N 3.31Š|
| 352 | C | 67.3 | Low | 42.5 | Very low | 26 Ų | 26 | 102.1 Ų | 102.1 | 18% | 0.176 | 66% | 0.661 | C | S | . | * | G | 310 helix | trans | -79.4 | -18.4 | 179.9 | -54 | 0 | 0 | 0 | 0 | 115.4 | F285 C306 G328 P350 R354 S355 | F285-C352 HydrophobicContact CE1-CB 3.98Å; F285-C352 HydrophobicContact CZ-CB 4.4Å; C306-C352 WeakPolarHBondContact CA-SG 3.5Å; C306-C352 HydrophobicContact CB-CB 3.88Å; C306-C352 WeakPolarHBondContact CB-SG 3.25Å; C306-C352 WeakPolarHBondContact SG-CA 3.29Å; C306-C352 WeakPolarHBondContact SG-CB 3.4Å; C306-C352 CovalentContact SG-SG 2.04Å; C306-C352 PolarHBondContact SG-SG 2.96Å; G328-C352 VanDerWaalsContact CA-SG 3.57Å; P350-C352 PolarHBondContact O-N 3.12Å; C352-R354 VanDerWaalsContact C-N 3.28Å; C352-R354 PolarHBondContact O-N 3.05Å; C352-S355 PolarHBondContact O-N 3.25Å |
| 353 | A | 52.6 | Low | 42 | Very low | 36 Ų | 36 | 101.1 Ų | 101.1 | 30% | 0.298 | 65% | 0.651 | S | S | . | * | G | 310 helix | trans | -76.5 | -15.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V349 P350 T356 | V349-A353 HydrophobicContact CG1-CB 3.68Å; P350-A353 HydrophobicContact CB-CB 4.41Å; P350-A353 HydrophobicContact CG-CB 4.43Å; P350-A353 WeakPolarHBondContact O-CB 3.38Å; P350-A353 PolarHBondContact O-N 2.92Å; A353-T356 PolarHBondContact O-OG1 3.42Å |
| 354 | R | 46.2 | Very low | 42.1 | Very low | 197 Ų | 197 | 101.9 Ų | 101.9 | 74% | 0.743 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -25.5 | 171.8 | -70.8 | -176.4 | 174.6 | 175.6 | -1.5 | 112.8 | V349 C352 | V349-R354 HydrophobicContact CG1-CG 4.2Å; C352-R354 VanDerWaalsContact C-N 3.28Å; C352-R354 PolarHBondContact O-N 3.05Å |
| 355 | S | 45.6 | Very low | 41.5 | Very low | 56 Ų | 56 | 101 Ų | 101 | 39% | 0.392 | 65% | 0.649 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.4 | -16.9 | -176.5 | -63.4 | 0 | 0 | 0 | 0 | 114.3 | C352 L357 S358 | C352-S355 PolarHBondContact O-N 3.25Å; S355-L357 PolarHBondContact O-N 2.93Å; S355-S358 PolarHBondContact O-OG 3.45Å |
| 356 | T | 41.4 | Very low | 40.9 | Very low | 83 Ų | 83 | 98.9 Ų | 98.9 | 51% | 0.509 | 64% | 0.641 | S | S | . | * | G | 310 helix | trans | -73.9 | -12.7 | 174.8 | 48.6 | 0 | 0 | 0 | 0 | 113.4 | A353 | A353-T356 PolarHBondContact O-OG1 3.42Š|
| 357 | L | 38.3 | Very low | 40.6 | Very low | 147 Ų | 147 | 100.9 Ų | 100.9 | 77% | 0.77 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -86.5 | -3.6 | -178 | -79.3 | 162.7 | 0 | 0 | 0 | 114.4 | S355 V359 | S355-L357 PolarHBondContact O-N 2.93Å; L357-V359 VanDerWaalsContact C-N 3.33Å |
| 358 | S | 33.6 | Very low | 40.2 | Very low | 106 Ų | 106 | 104.9 Ų | 104.9 | 74% | 0.741 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -89.4 | 1.7 | 171.3 | 60.7 | 0 | 0 | 0 | 0 | 113.6 | S355 | S355-S358 PolarHBondContact O-OG 3.45Š|
| 359 | V | 40 | Very low | 39.8 | Very low | 96 Ų | 96 | 108 Ų | 108 | 58% | 0.582 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -89.8 | 101.9 | 165.7 | -177.4 | 0 | 0 | 0 | 0 | 106.4 | L357 V361 | L357-V359 VanDerWaalsContact C-N 3.33Å; V359-V361 PolarHBondContact O-N 3.5Å |
| 360 | G | 35.8 | Very low | 39.2 | Very low | 78 Ų | 78 | 107.9 Ų | 107.9 | 80% | 0.804 | 67% | 0.667 | S | S | * | * | trans | -54.1 | 109.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 361 | V | 30.1 | Very low | 37.9 | Very low | 128 Ų | 128 | 108.8 Ų | 108.8 | 78% | 0.776 | 68% | 0.681 | S | S | * | * | trans | -109.5 | 84.5 | 162 | -174.6 | 0 | 0 | 0 | 0 | 106.3 | V359 G363 | V359-V361 PolarHBondContact O-N 3.5Å; V361-G363 PolarHBondContact O-N 3.31Å | ||
| 362 | S | 35.2 | Very low | 36.4 | Very low | 135 Ų | 135 | 116.8 Ų | 116.8 | 94% | 0.944 | 70% | 0.698 | S | S | * | * | trans | -78.1 | 102.6 | 148.6 | -167.9 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 363 | G | 30.3 | Very low | 34.5 | Very low | 54 Ų | 54 | 118.9 Ų | 118.9 | 56% | 0.557 | 72% | 0.723 | S | S | * | * | trans | -159 | 111.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | V361 | V361-G363 PolarHBondContact O-N 3.31Š| ||
| 364 | T | 33.9 | Very low | 33.4 | Very low | 133 Ų | 133 | 126.7 Ų | 126.7 | 82% | 0.816 | 75% | 0.751 | S | S | * | * | trans | -53.1 | 134.3 | -175.7 | 36.2 | 0 | 0 | 0 | 0 | 113.7 | V366 | T364-V366 PolarHBondContact O-N 3.07Å; T364-V366 VanDerWaalsContact O-N 3.12Å | ||
| 365 | L | 27.4 | Very low | 32.8 | Very low | 160 Ų | 160 | 126 Ų | 126 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | -64.7 | 101.8 | 166.9 | -100.1 | 146.5 | 0 | 0 | 0 | 109.6 | L367 | L365-L367 PolarHBondContact O-N 3.18Š| ||
| 366 | V | 29.8 | Very low | 32.1 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | trans | -87.2 | 102 | 161.4 | 177.3 | 0 | 0 | 0 | 0 | 107.7 | T364 L368 | T364-V366 PolarHBondContact O-N 3.07Å; T364-V366 VanDerWaalsContact O-N 3.12Å; V366-L368 PolarHBondContact O-N 3.44Å | ||
| 367 | L | 29.6 | Very low | 31.7 | Very low | 140 Ų | 140 | 131.9 Ų | 131.9 | 73% | 0.733 | 82% | 0.823 | S | S | * | * | trans | -69.7 | 102.2 | 169.4 | -79.6 | 162.6 | 0 | 0 | 0 | 109.4 | L365 Q369 | L365-L367 PolarHBondContact O-N 3.18Å; L367-Q369 PolarHBondContact O-N 3.04Å | ||
| 368 | L | 28.7 | Very low | 31.3 | Very low | 170 Ų | 170 | 131.1 Ų | 131.1 | 89% | 0.89 | 83% | 0.825 | S | S | * | * | trans | -75.6 | 94.9 | 161.2 | -82.5 | 161.1 | 0 | 0 | 0 | 108.7 | V366 | V366-L368 PolarHBondContact O-N 3.44Š| ||
| 369 | Q | 31.3 | Very low | 31.2 | Very low | 176 Ų | 176 | 132.5 Ų | 132.5 | 82% | 0.822 | 83% | 0.83 | S | S | * | * | trans | -82.3 | 116.6 | 161.5 | -81.3 | -175.5 | -14.8 | 0 | 0 | 109.2 | L367 | L367-Q369 PolarHBondContact O-N 3.04Š| ||
| 370 | G | 27 | Very low | 30.6 | Very low | 81 Ų | 81 | 134.8 Ų | 134.8 | 84% | 0.835 | 85% | 0.846 | S | S | * | * | trans | -67.3 | 126.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 371 | A | 29.3 | Very low | 30.3 | Very low | 101 Ų | 101 | 138.6 Ų | 138.6 | 84% | 0.835 | 85% | 0.849 | S | S | * | * | trans | -93.5 | 112.2 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 372 | R | 30.6 | Very low | 30.3 | Very low | 231 Ų | 231 | 139.4 Ų | 139.4 | 87% | 0.872 | 85% | 0.854 | S | S | * | * | trans | -56.8 | 132.9 | 166.4 | -80.3 | 173.4 | 165.5 | 168.8 | -5 | 109.7 | ||||
| 373 | G | 27.3 | Very low | 29.9 | Very low | 69 Ų | 69 | 139.7 Ų | 139.7 | 71% | 0.711 | 85% | 0.847 | S | S | * | * | trans | -67.9 | 132.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 374 | F | 30.5 | Very low | 29.9 | Very low | 200 Ų | 200 | 146.8 Ų | 146.8 | 88% | 0.877 | 87% | 0.871 | S | S | * | * | trans | -153.6 | 97.6 | 153.4 | -87.1 | -71.4 | 0 | 0 | 0 | 107.7 | ||||
| 375 | A | 32.9 | Very low | 29.5 | Very low | 182 Ų | 182 | 148.1 Ų | 148.1 | 100% | 1.504 | 88% | 0.876 | S | S | * | * | trans | 179.1 | 0 | 143.1 | 0 | 0 | 0 | 0 | 0 | 107.7 |
Retrieved 375 of 375 residues in 263.7 ms
(Link to these results)