| 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 | 37.1 | Very low | 41.3 | Very low | 253 Ų | 253 | 139.5 Ų | 139.5 | 100% | 1.246 | 82% | 0.821 | S | S | * | * | 0 | 103.8 | 0 | -67 | 169.7 | -178.7 | 0 | 0 | 105.9 | |||||
| 2 | A | 39.3 | Very low | 42 | Very low | 100 Ų | 100 | 139.3 Ų | 139.3 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | trans | -121.9 | 125.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 3 | E | 38.1 | Very low | 43.2 | Very low | 190 Ų | 190 | 138.1 Ų | 138.1 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 135.9 | 174.1 | -62.9 | -143.4 | 119.1 | 0 | 0 | 110.4 | G5 | E3-G5 PolarHBondContact O-N 3.24Š|
| 4 | P | 46 | Very low | 45.3 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 117.2 | 171.1 | 29.7 | -25.4 | 0 | 0 | 0 | 109.4 | ||
| 5 | G | 41.5 | Very low | 48 | Very low | 56 Ų | 56 | 132.8 Ų | 132.8 | 58% | 0.577 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 162.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E3 V7 | E3-G5 PolarHBondContact O-N 3.24Å; G5-V7 PolarHBondContact O-N 3.5Å |
| 6 | P | 43.2 | Very low | 50.7 | Low | 124 Ų | 124 | 126.8 Ų | 126.8 | 81% | 0.805 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 122.4 | -172.9 | 29.2 | -33 | 0 | 0 | 0 | 110 | V8 | P6-V8 PolarHBondContact O-N 3.03Å; P6-V8 VanDerWaalsContact O-N 3.08Å |
| 7 | V | 42.7 | Very low | 53.1 | Low | 138 Ų | 138 | 119.4 Ų | 119.4 | 84% | 0.836 | 68% | 0.682 | S | S | * | * | trans | -63.6 | 108.1 | 170.1 | -167.4 | 0 | 0 | 0 | 0 | 106.9 | G5 A9 | G5-V7 PolarHBondContact O-N 3.5Å; V7-A9 VanDerWaalsContact C-N 3.26Å; V7-A9 PolarHBondContact O-N 2.95Å | ||
| 8 | V | 41.2 | Very low | 55.3 | Low | 128 Ų | 128 | 115.9 Ų | 115.9 | 78% | 0.776 | 66% | 0.657 | S | S | * | * | trans | -66.4 | 93.7 | 168.9 | 179 | 0 | 0 | 0 | 0 | 106.3 | P6 Q10 | P6-V8 PolarHBondContact O-N 3.03Å; P6-V8 VanDerWaalsContact O-N 3.08Å; V8-Q10 PolarHBondContact O-N 3.34Å | ||
| 9 | A | 40.1 | Very low | 57.2 | Low | 82 Ų | 82 | 112.5 Ų | 112.5 | 68% | 0.678 | 64% | 0.638 | S | S | * | * | trans | -58.8 | 106.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | V7 Q11 | V7-A9 VanDerWaalsContact C-N 3.26Å; V7-A9 PolarHBondContact O-N 2.95Å; A9-Q11 PolarHBondContact O-N 3.16Å | ||
| 10 | Q | 41.9 | Very low | 59 | Low | 169 Ų | 169 | 109.9 Ų | 109.9 | 79% | 0.79 | 63% | 0.627 | S | S | * | * | trans | -55.1 | 109.3 | 170 | -152.5 | 123.7 | -9.1 | 0 | 0 | 106.6 | V8 N12 | V8-Q10 PolarHBondContact O-N 3.34Å; Q10-N12 PolarHBondContact O-N 3.08Å | ||
| 11 | Q | 42.8 | Very low | 60.5 | Low | 167 Ų | 167 | 112.4 Ų | 112.4 | 78% | 0.78 | 63% | 0.631 | S | S | * | * | trans | -65.4 | 85 | 170.8 | -70.9 | -168.5 | -9 | 0 | 0 | 108 | A9 L13 | A9-Q11 PolarHBondContact O-N 3.16Å; Q11-L13 HydrophobicContact CB-CD1 4.46Å; Q11-L13 PolarHBondContact O-N 3.26Å | ||
| 12 | N | 49.7 | Very low | 63.1 | Low | 137 Ų | 137 | 101.4 Ų | 101.4 | 73% | 0.733 | 58% | 0.58 | S | S | * | * | trans | -63.8 | 82.9 | 151.5 | -86.4 | -29.1 | 0 | 0 | 0 | 105.8 | Q10 D14 | Q10-N12 PolarHBondContact O-N 3.08Å; N12-D14 VanDerWaalsContact C-N 3.34Å; N12-D14 PolarHBondContact O-N 3.13Å | ||
| 13 | L | 58.3 | Low | 65.4 | Low | 123 Ų | 123 | 98.5 Ų | 98.5 | 64% | 0.644 | 55% | 0.552 | S | S | * | * | trans | -62.2 | 104.1 | 161 | -83.7 | 139 | 0 | 0 | 0 | 105.5 | Q11 R15 | Q11-L13 HydrophobicContact CB-CD1 4.46Å; Q11-L13 PolarHBondContact O-N 3.26Å; L13-R15 PolarHBondContact O-N 3.37Å | ||
| 14 | D | 73 | Confident | 67.7 | Low | 118 Ų | 118 | 92.4 Ų | 92.4 | 63% | 0.631 | 53% | 0.526 | S | S | * | . | trans | -45.7 | 108 | 179.1 | -65.4 | -33.7 | 0 | 0 | 0 | 109.5 | N12 S16 | N12-D14 VanDerWaalsContact C-N 3.34Å; N12-D14 PolarHBondContact O-N 3.13Å; D14-S16 PolarHBondContact O-N 3.43Å | ||
| 15 | R | 85.8 | Confident | 69.4 | Low | 79 Ų | 79 | 93.6 Ų | 93.6 | 30% | 0.298 | 52% | 0.52 | S | S | . | . | trans | -72.1 | 121.2 | 176.5 | -61.4 | -177.5 | -67.6 | -164.5 | -2.6 | 105.8 | L13 T23 D24 W32 W44 | L13-R15 PolarHBondContact O-N 3.37Å; R15-T23 WeakPolarHBondContact O-CA 3.37Å; R15-D24 IonicContact CZ-OD1 3.38Å; R15-D24 IonicContact NE-OD1 3.74Å; R15-D24 IonicContact NH2-OD1 3.24Å; R15-D24 PolarHBondContact NH2-OD1 3.47Å; R15-D24 IonicContact NH2-OD2 3.73Å; R15-D24 PolarHBondContact O-N 2.75Å; R15-W32 HydrophobicContact CB-CD2 4.44Å; R15-W32 HydrophobicContact CB-CE3 4.16Å; R15-W32 HydrophobicContact CB-CH2 4.02Å; R15-W32 HydrophobicContact CB-CZ2 4.32Å; R15-W32 HydrophobicContact CB-CZ3 3.94Å; R15-W32 VanDerWaalsContact O-CH2 3.31Å; R15-W32 WeakPolarHBondContact O-CH2 3.16Å; R15-W44 HydrophobicContact CB-CB 4.27Å; R15-W44 HydrophobicContact CB-CG 4.11Å; R15-W44 HydrophobicContact CG-CD2 4.03Å; R15-W44 HydrophobicContact CG-CG 3.96Å | ||
| 16 | S | 90.6 | Very high | 71.4 | Confident | 37 Ų | 37 | 96.4 Ų | 96.4 | 26% | 0.259 | 52% | 0.522 | S | S | . | . | B | Isolated β-bridge | trans | -116.1 | 133.2 | 171.2 | 60.7 | 0 | 0 | 0 | 0 | 109.6 | D14 W18 A22 S41 | D14-S16 PolarHBondContact O-N 3.43Å; S16-W18 PolarHBondContact O-N 3.22Å; S16-A22 WeakPolarHBondContact CA-O 3.46Å; S16-S41 WeakPolarHBondContact OG-CB 3.37Å |
| 17 | C | 92.1 | Very high | 73.2 | Confident | 0 Ų | 0 | 93.6 Ų | 93.6 | 0% | 0 | 50% | 0.5 | C | S | . | . | trans | -72 | 119.4 | 179.1 | 177.6 | 0 | 0 | 0 | 0 | 109 | V19 C20 F21 A22 W32 | C17-V19 PolarHBondContact O-N 3.1Å; C17-V19 VanDerWaalsContact O-N 3.1Å; C17-C20 VanDerWaalsContact CB-SG 3.6Å; C17-F21 WeakPolarHBondContact O-CA 3.36Å; C17-F21 PolarHBondContact O-N 3.37Å; C17-A22 PolarHBondContact N-O 2.97Å; C17-W32 HydrophobicContact CB-CH2 4.03Å; C17-W32 HydrophobicContact CB-CZ3 3.94Å | ||
| 18 | W | 91.7 | Very high | 75 | Confident | 58 Ų | 58 | 97 Ų | 97 | 22% | 0.22 | 50% | 0.498 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -12.1 | -178.1 | 66.8 | -98.7 | 0 | 0 | 0 | 114.5 | S16 W44 V45 L50 W53 | S16-W18 PolarHBondContact O-N 3.22Å; W18-W44 VanDerWaalsContact CD1-O 3.26Å; W18-W44 PolarHBondContact N-O 3.14Å; W18-V45 HydrophobicContact CZ2-CG2 4.43Å; W18-L50 HydrophobicContact CZ2-CD1 4.12Å; W18-W53 AromaticContact CH2-CD2 3.93Å; W18-W53 HydrophobicContact CH2-CD2 3.93Å; W18-W53 AromaticContact CH2-CE2 3.86Å; W18-W53 HydrophobicContact CH2-CG 4.07Å; W18-W53 HydrophobicContact CH2-CZ2 4.37Å; W18-W53 AromaticContact CH2-NE1 3.92Å |
| 19 | V | 92.2 | Very high | 77.2 | Confident | 50 Ų | 50 | 97.1 Ų | 97.1 | 30% | 0.303 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -49.6 | 178.6 | 178.5 | 0 | 0 | 0 | 0 | 111.8 | C17 V45 C49 | C17-V19 PolarHBondContact O-N 3.1Å; C17-V19 VanDerWaalsContact O-N 3.1Å; V19-V45 HydrophobicContact CB-CG2 4.44Å; V19-V45 HydrophobicContact CG2-CG2 3.69Å; V19-C49 HydrophobicContact CB-CB 3.92Å; V19-C49 HydrophobicContact CG1-CB 4.03Å; V19-C49 HydrophobicContact CG2-CB 4.25Å |
| 20 | C | 92.5 | Very high | 79.4 | Confident | 61 Ų | 61 | 94.2 Ų | 94.2 | 41% | 0.412 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -2.6 | -175.5 | 67 | 0 | 0 | 0 | 0 | 114.2 | C17 A22 | C17-C20 VanDerWaalsContact CB-SG 3.6Å; C20-A22 PolarHBondContact O-N 3.11Å |
| 21 | F | 91.5 | Very high | 81.8 | Confident | 162 Ų | 162 | 92.5 Ų | 92.5 | 71% | 0.711 | 47% | 0.467 | S | S | * | . | trans | 62.2 | 2 | -179.4 | -50.9 | -75.8 | 0 | 0 | 0 | 116.2 | C17 | C17-F21 WeakPolarHBondContact O-CA 3.36Å; C17-F21 PolarHBondContact O-N 3.37Å | ||
| 22 | A | 90.4 | Very high | 84.2 | Confident | 23 Ų | 23 | 86.2 Ų | 86.2 | 19% | 0.19 | 44% | 0.436 | C | S | . | . | trans | -67.6 | 149.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | S16 C17 C20 D26 | S16-A22 WeakPolarHBondContact CA-O 3.46Å; C17-A22 PolarHBondContact N-O 2.97Å; C20-A22 PolarHBondContact O-N 3.11Å; A22-D26 HydrophobicContact CB-CB 4.08Å | ||
| 23 | T | 88.6 | Confident | 86.3 | Confident | 39 Ų | 39 | 81.1 Ų | 81.1 | 24% | 0.239 | 41% | 0.41 | C | S | . | . | B | Isolated β-bridge | trans | -104.9 | 174.3 | 179.8 | 64.4 | 0 | 0 | 0 | 0 | 111.7 | R15 E25 D26 | R15-T23 WeakPolarHBondContact O-CA 3.37Å; T23-E25 PolarHBondContact O-N 2.75Å; T23-D26 PolarHBondContact N-OD2 3.5Å; T23-D26 PolarHBondContact O-N 3.36Å; T23-D26 PolarHBondContact OG1-OD2 2.96Å |
| 24 | D | 85.3 | Confident | 88 | Confident | 61 Ų | 61 | 84 Ų | 84 | 33% | 0.326 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -23.7 | 176.2 | -153.1 | 69.2 | 0 | 0 | 0 | 113 | R15 R28 W32 | R15-D24 IonicContact CZ-OD1 3.38Å; R15-D24 IonicContact NE-OD1 3.74Å; R15-D24 IonicContact NH2-OD1 3.24Å; R15-D24 PolarHBondContact NH2-OD1 3.47Å; R15-D24 IonicContact NH2-OD2 3.73Å; R15-D24 PolarHBondContact O-N 2.75Å; D24-R28 WeakPolarHBondContact O-CG 3.29Å; D24-W32 PolarHBondContact OD1-NE1 3.36Å |
| 25 | E | 82.2 | Confident | 88.9 | Confident | 153 Ų | 153 | 80.1 Ų | 80.1 | 72% | 0.715 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -31.9 | 178.1 | -59.9 | -165.6 | 156.3 | 0 | 0 | 112.9 | T23 | T23-E25 PolarHBondContact O-N 2.75Š|
| 26 | D | 84.7 | Confident | 89.3 | Confident | 116 Ų | 116 | 77.3 Ų | 77.3 | 62% | 0.62 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -33.7 | -177.5 | -60 | -58.2 | 0 | 0 | 0 | 112.1 | A22 T23 | A22-D26 HydrophobicContact CB-CB 4.08Å; T23-D26 PolarHBondContact N-OD2 3.5Å; T23-D26 PolarHBondContact O-N 3.36Å; T23-D26 PolarHBondContact OG1-OD2 2.96Å |
| 27 | D | 80.8 | Confident | 89.4 | Confident | 65 Ų | 65 | 86.2 Ų | 86.2 | 35% | 0.348 | 41% | 0.414 | S | S | . | . | trans | -148 | 93.7 | 175.8 | -173.2 | -6.2 | 0 | 0 | 0 | 112 | T29 A30 | D27-T29 PolarHBondContact O-N 3.49Å; D27-T29 PolarHBondContact OD1-N 3.29Å; D27-T29 PolarHBondContact OD1-OG1 3.42Å; D27-A30 HydrophobicContact CB-CB 4.17Å; D27-A30 PolarHBondContact O-N 3.3Å; D27-A30 PolarHBondContact OD1-N 3.36Å | ||
| 28 | R | 80.6 | Confident | 89.4 | Confident | 209 Ų | 209 | 87.2 Ų | 87.2 | 79% | 0.789 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -14.6 | 178.9 | -65.5 | -179.1 | 179.3 | -178.2 | -0.8 | 114.1 | D24 | D24-R28 WeakPolarHBondContact O-CG 3.29Š|
| 29 | T | 85.6 | Confident | 89.2 | Confident | 131 Ų | 131 | 95.2 Ų | 95.2 | 80% | 0.804 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -7.3 | -178.5 | 60.6 | 0 | 0 | 0 | 0 | 113 | D27 | D27-T29 PolarHBondContact O-N 3.49Å; D27-T29 PolarHBondContact OD1-N 3.29Å; D27-T29 PolarHBondContact OD1-OG1 3.42Å |
| 30 | A | 87.4 | Confident | 89 | Confident | 21 Ų | 21 | 95 Ų | 95 | 17% | 0.174 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 136.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D27 W32 H46 | D27-A30 HydrophobicContact CB-CB 4.17Å; D27-A30 PolarHBondContact O-N 3.3Å; D27-A30 PolarHBondContact OD1-N 3.36Å; A30-W32 PolarHBondContact O-N 3.4Å; A30-H46 VanDerWaalsContact CB-CD2 3.49Å; A30-H46 WeakPolarHBondContact CB-CD2 3.29Å |
| 31 | E | 92.2 | Very high | 88.6 | Confident | 133 Ų | 133 | 94.7 Ų | 94.7 | 62% | 0.621 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -80.1 | 117.7 | 171.5 | -171.6 | -178.8 | -175.6 | 0 | 0 | 109.9 | H46 Q47 | E31-H46 CarbonylContact O-C 3.54Å; E31-H46 WeakPolarHBondContact O-CA 3.49Å; E31-Q47 HydrophobicContact CB-CB 4.04Å; E31-Q47 HydrophobicContact CG-CB 4.18Å; E31-Q47 PolarHBondContact O-N 2.9Å |
| 32 | W | 92.6 | Very high | 88.3 | Confident | 34 Ų | 34 | 90.4 Ų | 90.4 | 13% | 0.129 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 132.6 | -178.9 | -69.6 | 87.8 | 0 | 0 | 0 | 112 | R15 C17 D24 A30 W44 H46 | R15-W32 HydrophobicContact CB-CD2 4.44Å; R15-W32 HydrophobicContact CB-CE3 4.16Å; R15-W32 HydrophobicContact CB-CH2 4.02Å; R15-W32 HydrophobicContact CB-CZ2 4.32Å; R15-W32 HydrophobicContact CB-CZ3 3.94Å; R15-W32 VanDerWaalsContact O-CH2 3.31Å; R15-W32 WeakPolarHBondContact O-CH2 3.16Å; C17-W32 HydrophobicContact CB-CH2 4.03Å; C17-W32 HydrophobicContact CB-CZ3 3.94Å; D24-W32 PolarHBondContact OD1-NE1 3.36Å; A30-W32 PolarHBondContact O-N 3.4Å; W32-W44 HydrophobicContact CB-CE3 4.46Å; W32-W44 HydrophobicContact CE3-CB 3.9Å; W32-W44 HydrophobicContact CZ3-CB 3.96Å; W32-H46 AromaticContact CD2-CD2 3.71Å; W32-H46 AromaticContact CE2-CD2 3.57Å; W32-H46 AromaticContact CE2-NE2 3.44Å; W32-H46 AromaticContact CE3-CD2 3.88Å; W32-H46 AromaticContact CH2-CD2 3.88Å; W32-H46 AromaticContact CH2-NE2 3.39Å; W32-H46 WeakPolarHBondContact CH2-NE2 3.5Å; W32-H46 AromaticContact CZ2-CD2 3.69Å; W32-H46 AromaticContact CZ2-NE2 3.1Å; W32-H46 WeakPolarHBondContact CZ2-NE2 3.13Å; W32-H46 AromaticContact CZ3-CD2 3.98Å; W32-H46 AromaticContact CZ3-NE2 3.95Å |
| 33 | V | 93.9 | Very high | 88.3 | Confident | 30 Ų | 30 | 92.6 Ų | 92.6 | 18% | 0.182 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 157.3 | 176.7 | -63.8 | 0 | 0 | 0 | 0 | 112.5 | V45 Q47 L50 | V33-V45 HydrophobicContact CG2-CG1 3.68Å; V33-V45 WeakPolarHBondContact CG2-O 3.46Å; V33-V45 PolarHBondContact N-O 3.03Å; V33-V45 PolarHBondContact O-N 2.96Å; V33-Q47 HydrophobicContact CG1-CB 4.3Å; V33-L50 HydrophobicContact CG2-CD2 3.9Å |
| 34 | R | 93.4 | Very high | 88.5 | Confident | 185 Ų | 185 | 93 Ų | 93 | 70% | 0.698 | 45% | 0.447 | S | S | * | . | trans | -124.4 | 76.9 | 176.7 | 52.8 | 168 | -167.5 | -151.6 | 2 | 110.4 | C36 K43 W44 | R34-C36 PolarHBondContact O-N 3.36Å; R34-K43 WeakPolarHBondContact CA-O 3.37Å; R34-W44 HydrophobicContact CB-CE3 4.32Å; R34-W44 HydrophobicContact CB-CZ3 4.28Å; R34-W44 HydrophobicContact CG-CZ3 4.43Å | ||
| 35 | P | 93.6 | Very high | 89 | Confident | 36 Ų | 36 | 90.1 Ų | 90.1 | 23% | 0.234 | 43% | 0.431 | C | S | . | . | trans | -79.1 | -3.2 | -167.9 | 36 | -41.2 | 0 | 0 | 0 | 113.8 | V45 L50 Y75 | P35-V45 HydrophobicContact CG-CG1 4.1Å; P35-L50 HydrophobicContact CB-CD2 3.72Å; P35-L50 HydrophobicContact CG-CD1 4.42Å; P35-L50 HydrophobicContact CG-CD2 3.62Å; P35-Y75 HydrophobicContact CB-CD1 3.74Å; P35-Y75 HydrophobicContact CB-CE1 3.83Å; P35-Y75 HydrophobicContact CB-CG 4.43Å; P35-Y75 HydrophobicContact CG-CD1 4.22Å; P35-Y75 HydrophobicContact CG-CE1 3.78Å | ||
| 36 | C | 94.3 | Very high | 89.6 | Confident | 19 Ų | 19 | 83.6 Ų | 83.6 | 13% | 0.128 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -144.5 | 179.7 | -169.8 | 73.1 | 0 | 0 | 0 | 0 | 113 | R34 C38 C68 A73 Y75 | R34-C36 PolarHBondContact O-N 3.36Å; C36-C38 VanDerWaalsContact SG-SG 3.61Å; C36-C68 HydrophobicContact CB-CB 3.78Å; C36-A73 HydrophobicContact CB-CB 4.04Å; C36-Y75 HydrophobicContact CB-CE1 4.14Å |
| 37 | R | 92.2 | Very high | 90 | Very high | 224 Ų | 224 | 80.7 Ų | 80.7 | 85% | 0.845 | 38% | 0.384 | S | S | * | . | trans | -96.1 | 13.3 | -175.8 | -57.9 | -178.7 | -174 | -176.7 | 2.1 | 114.1 | ||||
| 38 | C | 91.7 | Very high | 90.7 | Very high | 21 Ų | 21 | 80.1 Ų | 80.1 | 14% | 0.142 | 39% | 0.388 | C | S | . | . | trans | -61.6 | 157 | 177.6 | -68.9 | 0 | 0 | 0 | 0 | 111.9 | C36 K43 | C36-C38 VanDerWaalsContact SG-SG 3.61Å; C38-K43 HydrophobicContact CB-CB 4.03Å; C38-K43 VanDerWaalsContact O-CB 3.29Å; C38-K43 WeakPolarHBondContact O-CB 3.33Å | ||
| 39 | R | 88.6 | Confident | 91.4 | Very high | 226 Ų | 226 | 71.2 Ų | 71.2 | 85% | 0.853 | 36% | 0.357 | S | S | * | . | trans | -109.1 | 157.2 | 179.1 | -62 | -176.1 | -179.1 | -170.1 | 0.5 | 110.5 | T42 | R39-T42 PolarHBondContact O-OG1 2.92Š| ||
| 40 | G | 86.7 | Confident | 91.8 | Very high | 46 Ų | 46 | 65.7 Ų | 65.7 | 47% | 0.474 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | 76 | -150.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | K43 | G40-K43 WeakPolarHBondContact O-CD 3.4Å; G40-K43 WeakPolarHBondContact O-CE 3.31Å; G40-K43 VanDerWaalsContact O-CG 3.31Å; G40-K43 WeakPolarHBondContact O-CG 3.33Å |
| 41 | S | 83.9 | Confident | 92.1 | Very high | 55 Ų | 55 | 69.5 Ų | 69.5 | 39% | 0.385 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -70.3 | -29.4 | 179.5 | 50.6 | 0 | 0 | 0 | 0 | 113 | S16 K43 W44 | S16-S41 WeakPolarHBondContact OG-CB 3.37Å; S41-K43 PolarHBondContact O-N 3.08Å; S41-W44 PolarHBondContact O-N 3.04Å |
| 42 | T | 85.3 | Confident | 92.2 | Very high | 71 Ų | 71 | 72.1 Ų | 72.1 | 44% | 0.436 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -66.4 | -8.5 | -176.3 | 61.1 | 0 | 0 | 0 | 0 | 115 | R39 | R39-T42 PolarHBondContact O-OG1 2.92Š|
| 43 | K | 91.4 | Very high | 92.3 | Very high | 69 Ų | 69 | 72.5 Ų | 72.5 | 30% | 0.3 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -82.7 | -17 | 174.2 | 78.1 | -168 | 173.3 | 179.4 | 0 | 113.5 | R34 C38 G40 S41 | R34-K43 WeakPolarHBondContact CA-O 3.37Å; C38-K43 HydrophobicContact CB-CB 4.03Å; C38-K43 VanDerWaalsContact O-CB 3.29Å; C38-K43 WeakPolarHBondContact O-CB 3.33Å; G40-K43 WeakPolarHBondContact O-CD 3.4Å; G40-K43 WeakPolarHBondContact O-CE 3.31Å; G40-K43 VanDerWaalsContact O-CG 3.31Å; G40-K43 WeakPolarHBondContact O-CG 3.33Å; S41-K43 PolarHBondContact O-N 3.08Å |
| 44 | W | 92.4 | Very high | 92.3 | Very high | 49 Ų | 49 | 71.6 Ų | 71.6 | 19% | 0.186 | 34% | 0.337 | C | S | . | . | trans | -97.2 | 136.4 | -174.4 | -64.1 | 113.9 | 0 | 0 | 0 | 111.2 | R15 W18 W32 R34 S41 | R15-W44 HydrophobicContact CB-CB 4.27Å; R15-W44 HydrophobicContact CB-CG 4.11Å; R15-W44 HydrophobicContact CG-CD2 4.03Å; R15-W44 HydrophobicContact CG-CG 3.96Å; W18-W44 VanDerWaalsContact CD1-O 3.26Å; W18-W44 PolarHBondContact N-O 3.14Å; W32-W44 HydrophobicContact CB-CE3 4.46Å; W32-W44 HydrophobicContact CE3-CB 3.9Å; W32-W44 HydrophobicContact CZ3-CB 3.96Å; R34-W44 HydrophobicContact CB-CE3 4.32Å; R34-W44 HydrophobicContact CB-CZ3 4.28Å; R34-W44 HydrophobicContact CG-CZ3 4.43Å; S41-W44 PolarHBondContact O-N 3.04Å | ||
| 45 | V | 94.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 148.1 | 178.6 | 63.1 | 0 | 0 | 0 | 0 | 109.5 | W18 V19 V33 P35 C49 L50 | W18-V45 HydrophobicContact CZ2-CG2 4.43Å; V19-V45 HydrophobicContact CB-CG2 4.44Å; V19-V45 HydrophobicContact CG2-CG2 3.69Å; V33-V45 HydrophobicContact CG2-CG1 3.68Å; V33-V45 WeakPolarHBondContact CG2-O 3.46Å; V33-V45 PolarHBondContact N-O 3.03Å; V33-V45 PolarHBondContact O-N 2.96Å; P35-V45 HydrophobicContact CG-CG1 4.1Å; V45-C49 HydrophobicContact CG2-CB 4.17Å; V45-L50 HydrophobicContact CG1-CB 3.99Å; V45-L50 HydrophobicContact CG1-CD1 4.3Å; V45-L50 HydrophobicContact CG1-CD2 4.01Å; V45-L50 HydrophobicContact CG1-CG 4.33Å; V45-L50 HydrophobicContact CG2-CB 4.08Å |
| 46 | H | 95.2 | Very high | 92.3 | Very high | 15 Ų | 15 | 72.4 Ų | 72.4 | 7% | 0.069 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 141.6 | 170.1 | -57.5 | 145.3 | 0 | 0 | 0 | 110.7 | A30 E31 W32 A48 C49 L50 | A30-H46 VanDerWaalsContact CB-CD2 3.49Å; A30-H46 WeakPolarHBondContact CB-CD2 3.29Å; E31-H46 CarbonylContact O-C 3.54Å; E31-H46 WeakPolarHBondContact O-CA 3.49Å; W32-H46 AromaticContact CD2-CD2 3.71Å; W32-H46 AromaticContact CE2-CD2 3.57Å; W32-H46 AromaticContact CE2-NE2 3.44Å; W32-H46 AromaticContact CE3-CD2 3.88Å; W32-H46 AromaticContact CH2-CD2 3.88Å; W32-H46 AromaticContact CH2-NE2 3.39Å; W32-H46 WeakPolarHBondContact CH2-NE2 3.5Å; W32-H46 AromaticContact CZ2-CD2 3.69Å; W32-H46 AromaticContact CZ2-NE2 3.1Å; W32-H46 WeakPolarHBondContact CZ2-NE2 3.13Å; W32-H46 AromaticContact CZ3-CD2 3.98Å; W32-H46 AromaticContact CZ3-NE2 3.95Å; H46-A48 VanDerWaalsContact C-N 3.31Å; H46-A48 PolarHBondContact O-N 2.86Å; H46-C49 HydrophobicContact CB-CB 3.99Å; H46-C49 PolarHBondContact O-N 3.46Å; H46-C49 VanDerWaalsContact O-N 3.16Å; H46-L50 PolarHBondContact O-N 3.28Å |
| 47 | Q | 94.3 | Very high | 92.2 | Very high | 56 Ų | 56 | 77.3 Ų | 77.3 | 26% | 0.262 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -54.3 | -47.8 | 177 | -179.8 | 63.3 | 2.3 | 0 | 0 | 111.4 | E31 V33 C49 L50 Q51 | E31-Q47 HydrophobicContact CB-CB 4.04Å; E31-Q47 HydrophobicContact CG-CB 4.18Å; E31-Q47 PolarHBondContact O-N 2.9Å; V33-Q47 HydrophobicContact CG1-CB 4.3Å; Q47-C49 PolarHBondContact O-N 3.26Å; Q47-L50 PolarHBondContact O-N 3.09Å; Q47-Q51 WeakPolarHBondContact O-CB 3.24Å; Q47-Q51 VanDerWaalsContact O-CG 3.29Å; Q47-Q51 WeakPolarHBondContact O-CG 3.41Å; Q47-Q51 PolarHBondContact O-N 3.21Å |
| 48 | A | 94.8 | Very high | 92.1 | Very high | 52 Ų | 52 | 67.4 Ų | 67.4 | 43% | 0.43 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.6 | -37.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | H46 R52 | H46-A48 VanDerWaalsContact C-N 3.31Å; H46-A48 PolarHBondContact O-N 2.86Å; A48-R52 WeakPolarHBondContact O-CG 3.25Å; A48-R52 PolarHBondContact O-N 3.48Å; A48-R52 VanDerWaalsContact O-N 3.14Å |
| 49 | C | 94.5 | Very high | 92 | Very high | 23 Ų | 23 | 77.4 Ų | 77.4 | 16% | 0.155 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.9 | -42.2 | 176.3 | -68.9 | 0 | 0 | 0 | 0 | 111.2 | V19 V45 H46 Q47 W53 | V19-C49 HydrophobicContact CB-CB 3.92Å; V19-C49 HydrophobicContact CG1-CB 4.03Å; V19-C49 HydrophobicContact CG2-CB 4.25Å; V45-C49 HydrophobicContact CG2-CB 4.17Å; H46-C49 HydrophobicContact CB-CB 3.99Å; H46-C49 PolarHBondContact O-N 3.46Å; H46-C49 VanDerWaalsContact O-N 3.16Å; Q47-C49 PolarHBondContact O-N 3.26Å; C49-W53 WeakPolarHBondContact O-CB 3.35Å; C49-W53 PolarHBondContact O-N 3.33Å; C49-W53 VanDerWaalsContact O-N 3.1Å |
| 50 | L | 95 | Very high | 91.7 | Very high | 15 Ų | 15 | 70.5 Ų | 70.5 | 8% | 0.079 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.2 | -41.7 | 177.9 | -174.3 | 64.4 | 0 | 0 | 0 | 111.8 | W18 V33 P35 V45 H46 Q47 W53 V54 Y75 | W18-L50 HydrophobicContact CZ2-CD1 4.12Å; V33-L50 HydrophobicContact CG2-CD2 3.9Å; P35-L50 HydrophobicContact CB-CD2 3.72Å; P35-L50 HydrophobicContact CG-CD1 4.42Å; P35-L50 HydrophobicContact CG-CD2 3.62Å; V45-L50 HydrophobicContact CG1-CB 3.99Å; V45-L50 HydrophobicContact CG1-CD1 4.3Å; V45-L50 HydrophobicContact CG1-CD2 4.01Å; V45-L50 HydrophobicContact CG1-CG 4.33Å; V45-L50 HydrophobicContact CG2-CB 4.08Å; H46-L50 PolarHBondContact O-N 3.28Å; Q47-L50 PolarHBondContact O-N 3.09Å; L50-W53 HydrophobicContact CD1-CE3 4.47Å; L50-W53 PolarHBondContact O-N 3.05Å; L50-V54 HydrophobicContact CG-CG2 4.46Å; L50-V54 WeakPolarHBondContact O-CB 3.41Å; L50-V54 VanDerWaalsContact O-CG2 3.31Å; L50-V54 WeakPolarHBondContact O-CG2 3.32Å; L50-V54 PolarHBondContact O-N 2.83Å; L50-Y75 HydrophobicContact CD1-CD2 4.27Å; L50-Y75 HydrophobicContact CD1-CE2 3.58Å |
| 51 | Q | 94.4 | Very high | 91.7 | Very high | 100 Ų | 100 | 72.3 Ų | 72.3 | 47% | 0.467 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -57.1 | -51.4 | 175.9 | -77 | 172.9 | -25.5 | 0 | 0 | 111.4 | Q47 W53 V54 D55 | Q47-Q51 WeakPolarHBondContact O-CB 3.24Å; Q47-Q51 VanDerWaalsContact O-CG 3.29Å; Q47-Q51 WeakPolarHBondContact O-CG 3.41Å; Q47-Q51 PolarHBondContact O-N 3.21Å; Q51-W53 VanDerWaalsContact C-N 3.31Å; Q51-W53 PolarHBondContact O-N 3.2Å; Q51-V54 WeakPolarHBondContact O-CB 3.49Å; Q51-V54 PolarHBondContact O-N 3.12Å; Q51-V54 VanDerWaalsContact O-N 3.12Å; Q51-D55 VanDerWaalsContact O-CG 3.23Å; Q51-D55 PolarHBondContact O-N 2.75Å |
| 52 | R | 94.1 | Very high | 91.7 | Very high | 189 Ų | 189 | 72.7 Ų | 72.7 | 71% | 0.713 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -59.3 | -41.6 | 177.3 | -70.6 | 177.9 | -175.9 | 172.2 | 2.6 | 112.6 | A48 D55 E56 | A48-R52 WeakPolarHBondContact O-CG 3.25Å; A48-R52 PolarHBondContact O-N 3.48Å; A48-R52 VanDerWaalsContact O-N 3.14Å; R52-D55 PolarHBondContact O-N 2.8Å; R52-E56 PolarHBondContact O-N 3.08Å |
| 53 | W | 93.9 | Very high | 91.6 | Very high | 41 Ų | 41 | 74.8 Ų | 74.8 | 16% | 0.155 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 177.2 | -175.4 | 89.4 | 0 | 0 | 0 | 111.9 | W18 C49 L50 Q51 E56 K57 V66 P69 Y75 | W18-W53 AromaticContact CH2-CD2 3.93Å; W18-W53 HydrophobicContact CH2-CD2 3.93Å; W18-W53 AromaticContact CH2-CE2 3.86Å; W18-W53 HydrophobicContact CH2-CG 4.07Å; W18-W53 HydrophobicContact CH2-CZ2 4.37Å; W18-W53 AromaticContact CH2-NE1 3.92Å; C49-W53 WeakPolarHBondContact O-CB 3.35Å; C49-W53 PolarHBondContact O-N 3.33Å; C49-W53 VanDerWaalsContact O-N 3.1Å; L50-W53 HydrophobicContact CD1-CE3 4.47Å; L50-W53 PolarHBondContact O-N 3.05Å; Q51-W53 VanDerWaalsContact C-N 3.31Å; Q51-W53 PolarHBondContact O-N 3.2Å; W53-E56 PolarHBondContact O-N 2.97Å; W53-K57 HydrophobicContact CD2-CG 4.18Å; W53-K57 HydrophobicContact CE3-CG 4.12Å; W53-K57 HydrophobicContact CH2-CG 3.94Å; W53-K57 HydrophobicContact CZ2-CD 4.31Å; W53-K57 VanDerWaalsContact CZ2-CE 3.42Å; W53-K57 HydrophobicContact CZ2-CG 3.99Å; W53-K57 HydrophobicContact CZ3-CG 4Å; W53-K57 WeakPolarHBondContact O-CG 3.25Å; W53-K57 PolarHBondContact O-N 2.73Å; W53-K57 VanDerWaalsContact O-N 3.12Å; W53-V66 HydrophobicContact CE3-CG1 4.19Å; W53-V66 HydrophobicContact CH2-CG1 3.98Å; W53-V66 HydrophobicContact CZ3-CG1 3.33Å; W53-P69 HydrophobicContact CZ2-CG 4.19Å; W53-Y75 AromaticContact CE3-CE2 3.97Å; W53-Y75 HydrophobicContact CE3-CE2 3.97Å; W53-Y75 HydrophobicContact CH2-CE2 4.36Å; W53-Y75 HydrophobicContact CZ3-CD2 4.26Å; W53-Y75 AromaticContact CZ3-CE2 3.45Å; W53-Y75 HydrophobicContact CZ3-CE2 3.45Å; W53-Y75 VanDerWaalsContact CZ3-CE2 3.45Å |
| 54 | V | 94.6 | Very high | 91.5 | Very high | 12 Ų | 12 | 73.1 Ų | 73.1 | 7% | 0.073 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64 | -44.8 | 174.6 | 167.4 | 0 | 0 | 0 | 0 | 110.9 | L50 Q51 E56 K57 Q58 V66 Y75 I77 | L50-V54 HydrophobicContact CG-CG2 4.46Å; L50-V54 WeakPolarHBondContact O-CB 3.41Å; L50-V54 VanDerWaalsContact O-CG2 3.31Å; L50-V54 WeakPolarHBondContact O-CG2 3.32Å; L50-V54 PolarHBondContact O-N 2.83Å; Q51-V54 WeakPolarHBondContact O-CB 3.49Å; Q51-V54 PolarHBondContact O-N 3.12Å; Q51-V54 VanDerWaalsContact O-N 3.12Å; V54-E56 VanDerWaalsContact C-N 3.31Å; V54-E56 PolarHBondContact O-N 3.19Å; V54-K57 CarbonylContact O-C 3.57Å; V54-K57 PolarHBondContact O-N 2.96Å; V54-Q58 HydrophobicContact CG1-CG 4.15Å; V54-Q58 WeakPolarHBondContact O-CB 3.16Å; V54-Q58 WeakPolarHBondContact O-CG 3.5Å; V54-Q58 PolarHBondContact O-N 3.03Å; V54-V66 HydrophobicContact CG1-CG2 4.2Å; V54-V66 HydrophobicContact CG2-CG1 4.31Å; V54-Y75 HydrophobicContact CG2-CD2 3.98Å; V54-Y75 HydrophobicContact CG2-CE2 4.37Å; V54-I77 HydrophobicContact CG1-CD1 3.67Å |
| 55 | D | 93.5 | Very high | 91.4 | Very high | 101 Ų | 101 | 80.2 Ų | 80.2 | 54% | 0.54 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -57.8 | -44 | 178.1 | -65.8 | -27.1 | 0 | 0 | 0 | 111.4 | Q51 R52 K57 Q58 R59 | Q51-D55 VanDerWaalsContact O-CG 3.23Å; Q51-D55 PolarHBondContact O-N 2.75Å; R52-D55 PolarHBondContact O-N 2.8Å; D55-K57 VanDerWaalsContact C-N 3.33Å; D55-K57 PolarHBondContact O-N 3.17Å; D55-Q58 PolarHBondContact O-N 3.43Å; D55-R59 PolarHBondContact O-N 3.2Å; D55-R59 VanDerWaalsContact O-N 3.08Å |
| 56 | E | 92.8 | Very high | 91.3 | Very high | 137 Ų | 137 | 80.8 Ų | 80.8 | 64% | 0.64 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -62.2 | -39 | 175.7 | -169.5 | -174.7 | 167.7 | 0 | 0 | 112 | R52 W53 V54 R59 | R52-E56 PolarHBondContact O-N 3.08Å; W53-E56 PolarHBondContact O-N 2.97Å; V54-E56 VanDerWaalsContact C-N 3.31Å; V54-E56 PolarHBondContact O-N 3.19Å; E56-R59 WeakPolarHBondContact O-CG 3.47Å |
| 57 | K | 91.4 | Very high | 91.3 | Very high | 121 Ų | 121 | 81.4 Ų | 81.4 | 53% | 0.526 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -71.9 | -34.1 | 176.6 | -68.8 | -57.2 | -178.8 | -167.9 | 0 | 113.2 | W53 V54 D55 V66 | W53-K57 HydrophobicContact CD2-CG 4.18Å; W53-K57 HydrophobicContact CE3-CG 4.12Å; W53-K57 HydrophobicContact CH2-CG 3.94Å; W53-K57 HydrophobicContact CZ2-CD 4.31Å; W53-K57 VanDerWaalsContact CZ2-CE 3.42Å; W53-K57 HydrophobicContact CZ2-CG 3.99Å; W53-K57 HydrophobicContact CZ3-CG 4Å; W53-K57 WeakPolarHBondContact O-CG 3.25Å; W53-K57 PolarHBondContact O-N 2.73Å; W53-K57 VanDerWaalsContact O-N 3.12Å; V54-K57 CarbonylContact O-C 3.57Å; V54-K57 PolarHBondContact O-N 2.96Å; D55-K57 VanDerWaalsContact C-N 3.33Å; D55-K57 PolarHBondContact O-N 3.17Å; K57-V66 HydrophobicContact CB-CG1 4.09Å; K57-V66 HydrophobicContact CB-CG2 4.17Å; K57-V66 HydrophobicContact CG-CG1 4.31Å |
| 58 | Q | 91.9 | Very high | 91.3 | Very high | 17 Ų | 17 | 79 Ų | 79 | 8% | 0.079 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -80.7 | -21.5 | -177.9 | -73.1 | -172.2 | -32.9 | 0 | 0 | 113.3 | V54 D55 G60 N61 S62 A64 V66 | V54-Q58 HydrophobicContact CG1-CG 4.15Å; V54-Q58 WeakPolarHBondContact O-CB 3.16Å; V54-Q58 WeakPolarHBondContact O-CG 3.5Å; V54-Q58 PolarHBondContact O-N 3.03Å; D55-Q58 PolarHBondContact O-N 3.43Å; Q58-G60 PolarHBondContact O-N 2.63Å; Q58-G60 VanDerWaalsContact O-N 3.1Å; Q58-N61 WeakPolarHBondContact CB-O 3.38Å; Q58-N61 WeakPolarHBondContact O-CB 3.46Å; Q58-N61 PolarHBondContact O-N 2.96Å; Q58-S62 PolarHBondContact NE2-O 3.43Å; Q58-A64 HydrophobicContact CG-CB 4.36Å; Q58-A64 PolarHBondContact NE2-O 3.45Å; Q58-V66 HydrophobicContact CG-CG2 3.55Å |
| 59 | R | 88.9 | Confident | 91.1 | Very high | 231 Ų | 231 | 80.4 Ų | 80.4 | 87% | 0.872 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.4 | 39.6 | 178.3 | -62.3 | -175.2 | 175.7 | 176.8 | -2.1 | 113.4 | D55 E56 | D55-R59 PolarHBondContact O-N 3.2Å; D55-R59 VanDerWaalsContact O-N 3.08Å; E56-R59 WeakPolarHBondContact O-CG 3.47Å |
| 60 | G | 82.6 | Confident | 91 | Very high | 80 Ų | 80 | 86.8 Ų | 86.8 | 83% | 0.825 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.1 | -5.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q58 S62 | Q58-G60 PolarHBondContact O-N 2.63Å; Q58-G60 VanDerWaalsContact O-N 3.1Å; G60-S62 PolarHBondContact O-N 3.45Å |
| 61 | N | 86.3 | Confident | 90.9 | Very high | 84 Ų | 84 | 88.5 Ų | 88.5 | 45% | 0.449 | 45% | 0.451 | S | S | . | . | trans | -92.6 | 86.6 | 170.2 | -174.8 | -0.8 | 0 | 0 | 0 | 110.8 | Q58 T63 A64 | Q58-N61 WeakPolarHBondContact CB-O 3.38Å; Q58-N61 WeakPolarHBondContact O-CB 3.46Å; Q58-N61 PolarHBondContact O-N 2.96Å; N61-T63 PolarHBondContact O-N 2.94Å; N61-T63 PolarHBondContact OD1-N 3.4Å; N61-T63 PolarHBondContact OD1-OG1 3.43Å; N61-A64 HydrophobicContact CB-CB 4.28Å; N61-A64 VanDerWaalsContact O-CB 3.31Å; N61-A64 WeakPolarHBondContact O-CB 3.46Å; N61-A64 PolarHBondContact O-N 2.91Å | ||
| 62 | S | 83.3 | Confident | 90.8 | Very high | 64 Ų | 64 | 90 Ų | 90 | 45% | 0.448 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -15.5 | 179.8 | 56.5 | 0 | 0 | 0 | 0 | 114.5 | Q58 G60 F79 | Q58-S62 PolarHBondContact NE2-O 3.43Å; G60-S62 PolarHBondContact O-N 3.45Å; S62-F79 WeakPolarHBondContact O-CZ 3.28Å |
| 63 | T | 82.9 | Confident | 90.8 | Very high | 115 Ų | 115 | 81.9 Ų | 81.9 | 71% | 0.706 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -10.2 | 176.9 | 71.4 | 0 | 0 | 0 | 0 | 113.6 | N61 R65 | N61-T63 PolarHBondContact O-N 2.94Å; N61-T63 PolarHBondContact OD1-N 3.4Å; N61-T63 PolarHBondContact OD1-OG1 3.43Å; T63-R65 PolarHBondContact O-N 3.49Å |
| 64 | A | 89.1 | Confident | 90.8 | Very high | 34 Ų | 34 | 85.1 Ų | 85.1 | 28% | 0.281 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -68.7 | 129.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q58 N61 | Q58-A64 HydrophobicContact CG-CB 4.36Å; Q58-A64 PolarHBondContact NE2-O 3.45Å; N61-A64 HydrophobicContact CB-CB 4.28Å; N61-A64 VanDerWaalsContact O-CB 3.31Å; N61-A64 WeakPolarHBondContact O-CB 3.46Å; N61-A64 PolarHBondContact O-N 2.91Å |
| 65 | R | 90.4 | Very high | 90.8 | Very high | 198 Ų | 198 | 85.4 Ų | 85.4 | 75% | 0.747 | 45% | 0.452 | S | S | * | . | trans | -70.9 | 137.2 | 176.4 | -62 | -171.1 | -174.6 | -175.7 | 1.5 | 110.2 | T63 E74 | T63-R65 PolarHBondContact O-N 3.49Å; R65-E74 WeakPolarHBondContact CD-OE1 3.3Å; R65-E74 IonicContact NH1-OE1 2.71Å; R65-E74 PolarHBondContact NH1-OE1 2.99Å; R65-E74 VanDerWaalsContact NH1-OE1 3.1Å; R65-E74 IonicContact NH1-OE2 3.82Å; R65-E74 PolarHBondContact NH1-OE2 3.4Å | ||
| 66 | V | 93.6 | Very high | 90.7 | Very high | 11 Ų | 11 | 88.7 Ų | 88.7 | 7% | 0.067 | 47% | 0.469 | C | S | . | . | trans | -122.2 | 133.4 | 177.1 | -174.3 | 0 | 0 | 0 | 0 | 108.7 | W53 V54 K57 Q58 Y75 | W53-V66 HydrophobicContact CE3-CG1 4.19Å; W53-V66 HydrophobicContact CH2-CG1 3.98Å; W53-V66 HydrophobicContact CZ3-CG1 3.33Å; V54-V66 HydrophobicContact CG1-CG2 4.2Å; V54-V66 HydrophobicContact CG2-CG1 4.31Å; K57-V66 HydrophobicContact CB-CG1 4.09Å; K57-V66 HydrophobicContact CB-CG2 4.17Å; K57-V66 HydrophobicContact CG-CG1 4.31Å; Q58-V66 HydrophobicContact CG-CG2 3.55Å; V66-Y75 HydrophobicContact CB-CD2 4.43Å; V66-Y75 HydrophobicContact CG1-CD2 4.08Å; V66-Y75 HydrophobicContact CG1-CE2 4.36Å; V66-Y75 PolarHBondContact O-N 3.46Å | ||
| 67 | A | 94.8 | Very high | 90.6 | Very high | 29 Ų | 29 | 85.2 Ų | 85.2 | 24% | 0.24 | 45% | 0.454 | C | S | . | . | B | Isolated β-bridge | trans | -122.2 | 156 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A73 E74 | A67-A73 CarbonylContact C-O 3.37Å; A67-A73 WeakPolarHBondContact CA-O 3.45Å; A67-E74 HydrophobicContact CB-CG 4.46Å |
| 68 | C | 93.8 | Very high | 90.4 | Very high | 6 Ų | 6 | 86 Ų | 86 | 4% | 0.041 | 47% | 0.469 | C | S | . | . | trans | -59.8 | 129.1 | 173.9 | -177 | 0 | 0 | 0 | 0 | 110.8 | C36 Q70 C71 N72 A73 Y75 | C36-C68 HydrophobicContact CB-CB 3.78Å; C68-Q70 PolarHBondContact O-N 3.25Å; C68-C71 VanDerWaalsContact SG-SG 3.68Å; C68-N72 WeakPolarHBondContact O-CA 3.2Å; C68-N72 PolarHBondContact O-N 3.2Å; C68-A73 PolarHBondContact N-O 2.91Å; C68-Y75 WeakPolarHBondContact CA-OH 3.24Å; C68-Y75 HydrophobicContact CB-CE1 3.69Å | ||
| 69 | P | 91.1 | Very high | 90 | Very high | 80 Ų | 80 | 90.8 Ų | 90.8 | 52% | 0.519 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -17.9 | -178.4 | 27.2 | -34.9 | 0 | 0 | 0 | 113.9 | W53 | W53-P69 HydrophobicContact CZ2-CG 4.19Š|
| 70 | Q | 91.6 | Very high | 89.8 | Confident | 158 Ų | 158 | 85.4 Ų | 85.4 | 74% | 0.738 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -47.6 | -175 | -65.1 | -65 | -47 | 0 | 0 | 112.7 | C68 | C68-Q70 PolarHBondContact O-N 3.25Š|
| 71 | C | 93.4 | Very high | 89.5 | Confident | 51 Ų | 51 | 91.6 Ų | 91.6 | 35% | 0.345 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | 1.7 | -176.6 | 68.6 | 0 | 0 | 0 | 0 | 114.2 | C68 A73 | C68-C71 VanDerWaalsContact SG-SG 3.68Å; C71-A73 PolarHBondContact O-N 3.49Å |
| 72 | N | 92.9 | Very high | 89.2 | Confident | 130 Ų | 130 | 93.4 Ų | 93.4 | 70% | 0.695 | 50% | 0.498 | S | S | * | . | trans | 56.1 | 20.4 | -178.7 | -159.9 | 43.4 | 0 | 0 | 0 | 115.2 | C68 E74 | C68-N72 WeakPolarHBondContact O-CA 3.2Å; C68-N72 PolarHBondContact O-N 3.2Å; N72-E74 PolarHBondContact O-N 3.15Å | ||
| 73 | A | 94.4 | Very high | 89.4 | Confident | 20 Ų | 20 | 92 Ų | 92 | 17% | 0.165 | 49% | 0.494 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 122.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | C36 A67 C68 C71 Y75 | C36-A73 HydrophobicContact CB-CB 4.04Å; A67-A73 CarbonylContact C-O 3.37Å; A67-A73 WeakPolarHBondContact CA-O 3.45Å; C68-A73 PolarHBondContact N-O 2.91Å; C71-A73 PolarHBondContact O-N 3.49Å; A73-Y75 PolarHBondContact O-N 2.85Å |
| 74 | E | 94.3 | Very high | 89.6 | Confident | 108 Ų | 108 | 91.7 Ų | 91.7 | 51% | 0.505 | 49% | 0.494 | S | S | . | . | B | Isolated β-bridge | trans | -61.8 | 132.2 | 172.7 | -68.9 | -171.9 | 170.5 | 0 | 0 | 110.3 | R65 A67 N72 | R65-E74 WeakPolarHBondContact CD-OE1 3.3Å; R65-E74 IonicContact NH1-OE1 2.71Å; R65-E74 PolarHBondContact NH1-OE1 2.99Å; R65-E74 VanDerWaalsContact NH1-OE1 3.1Å; R65-E74 IonicContact NH1-OE2 3.82Å; R65-E74 PolarHBondContact NH1-OE2 3.4Å; A67-E74 HydrophobicContact CB-CG 4.46Å; N72-E74 PolarHBondContact O-N 3.15Å |
| 75 | Y | 93.4 | Very high | 89.7 | Confident | 18 Ų | 18 | 96.3 Ų | 96.3 | 7% | 0.071 | 51% | 0.512 | C | S | . | . | P | Polyproline II helix | trans | -76.3 | 134.1 | 175.6 | -63.1 | -26.1 | 0 | 0 | 0 | 110.6 | P35 C36 L50 W53 V54 V66 C68 A73 I77 | P35-Y75 HydrophobicContact CB-CD1 3.74Å; P35-Y75 HydrophobicContact CB-CE1 3.83Å; P35-Y75 HydrophobicContact CB-CG 4.43Å; P35-Y75 HydrophobicContact CG-CD1 4.22Å; P35-Y75 HydrophobicContact CG-CE1 3.78Å; C36-Y75 HydrophobicContact CB-CE1 4.14Å; L50-Y75 HydrophobicContact CD1-CD2 4.27Å; L50-Y75 HydrophobicContact CD1-CE2 3.58Å; W53-Y75 AromaticContact CE3-CE2 3.97Å; W53-Y75 HydrophobicContact CE3-CE2 3.97Å; W53-Y75 HydrophobicContact CH2-CE2 4.36Å; W53-Y75 HydrophobicContact CZ3-CD2 4.26Å; W53-Y75 AromaticContact CZ3-CE2 3.45Å; W53-Y75 HydrophobicContact CZ3-CE2 3.45Å; W53-Y75 VanDerWaalsContact CZ3-CE2 3.45Å; V54-Y75 HydrophobicContact CG2-CD2 3.98Å; V54-Y75 HydrophobicContact CG2-CE2 4.37Å; V66-Y75 HydrophobicContact CB-CD2 4.43Å; V66-Y75 HydrophobicContact CG1-CD2 4.08Å; V66-Y75 HydrophobicContact CG1-CE2 4.36Å; V66-Y75 PolarHBondContact O-N 3.46Å; C68-Y75 WeakPolarHBondContact CA-OH 3.24Å; C68-Y75 HydrophobicContact CB-CE1 3.69Å; A73-Y75 PolarHBondContact O-N 2.85Å; Y75-I77 PolarHBondContact O-N 3.34Å |
| 76 | L | 90.8 | Very high | 89.7 | Confident | 170 Ų | 170 | 90.1 Ų | 90.1 | 89% | 0.89 | 50% | 0.496 | S | S | * | . | trans | -86 | 99.4 | 175.8 | -63.3 | 173 | 0 | 0 | 0 | 109.2 | ||||
| 77 | I | 90.7 | Very high | 89.3 | Confident | 65 Ų | 65 | 96.5 Ų | 96.5 | 33% | 0.333 | 52% | 0.52 | S | S | . | . | trans | -100.9 | 117.2 | -180 | -55.7 | 166.5 | 0 | 0 | 0 | 108.7 | V54 Y75 F79 | V54-I77 HydrophobicContact CG1-CD1 3.67Å; Y75-I77 PolarHBondContact O-N 3.34Å; I77-F79 HydrophobicContact CB-CE2 4.47Å; I77-F79 HydrophobicContact CG2-CD2 4.39Å; I77-F79 HydrophobicContact CG2-CE1 3.94Å; I77-F79 HydrophobicContact CG2-CE2 3.79Å; I77-F79 HydrophobicContact CG2-CZ 3.54Å | ||
| 78 | V | 87.8 | Confident | 89.1 | Confident | 136 Ų | 136 | 99.6 Ų | 99.6 | 82% | 0.824 | 54% | 0.536 | S | S | * | . | trans | -107.1 | 120.6 | 175.9 | -178.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 79 | F | 84.9 | Confident | 89 | Confident | 118 Ų | 118 | 104.5 Ų | 104.5 | 52% | 0.518 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -89.7 | 141.3 | 176.5 | -61.5 | -81.2 | 0 | 0 | 0 | 110.6 | S62 I77 | S62-F79 WeakPolarHBondContact O-CZ 3.28Å; I77-F79 HydrophobicContact CB-CE2 4.47Å; I77-F79 HydrophobicContact CG2-CD2 4.39Å; I77-F79 HydrophobicContact CG2-CE1 3.94Å; I77-F79 HydrophobicContact CG2-CE2 3.79Å; I77-F79 HydrophobicContact CG2-CZ 3.54Å |
| 80 | P | 83.8 | Confident | 88.9 | Confident | 119 Ų | 119 | 103.4 Ų | 103.4 | 77% | 0.773 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 146 | 172.3 | 27.1 | -33.5 | 0 | 0 | 0 | 110.2 | L82 | P80-L82 PolarHBondContact O-N 2.94Š|
| 81 | K | 77.1 | Confident | 88.7 | Confident | 210 Ų | 210 | 99.8 Ų | 99.8 | 91% | 0.913 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 127.3 | 177.1 | -65.6 | 179.4 | -177.6 | 176.3 | 0 | 109.3 | ||
| 82 | L | 78.8 | Confident | 88.6 | Confident | 121 Ų | 121 | 99.3 Ų | 99.3 | 63% | 0.634 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 136.7 | 172.6 | -66.9 | 152.8 | 0 | 0 | 0 | 108.9 | P80 V86 | P80-L82 PolarHBondContact O-N 2.94Å; L82-V86 HydrophobicContact CB-CB 4.33Å; L82-V86 HydrophobicContact CB-CG1 4.46Å; L82-V86 HydrophobicContact CD2-CB 4.26Å; L82-V86 HydrophobicContact CD2-CG1 3.6Å |
| 83 | G | 88 | Confident | 88.5 | Confident | 35 Ų | 35 | 97.7 Ų | 97.7 | 36% | 0.361 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 159.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I85 V86 Y87 | G83-I85 PolarHBondContact O-N 3.41Å; G83-V86 PolarHBondContact O-N 3.46Å; G83-Y87 PolarHBondContact O-N 2.95Å; G83-Y87 VanDerWaalsContact O-N 3.1Å |
| 84 | P | 86.8 | Confident | 88.3 | Confident | 109 Ų | 109 | 104.1 Ų | 104.1 | 71% | 0.708 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -58.2 | -34.6 | -175.5 | 20 | -30.4 | 0 | 0 | 0 | 113.3 | Y87 V88 | P84-Y87 PolarHBondContact O-N 2.84Å; P84-V88 WeakPolarHBondContact O-CG2 3.4Å; P84-V88 PolarHBondContact O-N 2.92Å; P84-V88 VanDerWaalsContact O-N 3.09Å |
| 85 | I | 91.2 | Very high | 88.2 | Confident | 130 Ų | 130 | 104.1 Ų | 104.1 | 67% | 0.667 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -63.8 | -44.7 | 176.4 | -61.5 | 171 | 0 | 0 | 0 | 111.1 | G83 Y87 V88 L89 | G83-I85 PolarHBondContact O-N 3.41Å; I85-Y87 VanDerWaalsContact C-N 3.31Å; I85-Y87 PolarHBondContact O-N 2.94Å; I85-V88 PolarHBondContact O-N 2.89Å; I85-L89 HydrophobicContact CG2-CD1 4.1Å; I85-L89 WeakPolarHBondContact O-CG 3.3Å; I85-L89 PolarHBondContact O-N 3.43Å |
| 86 | V | 89.8 | Confident | 88.1 | Confident | 69 Ų | 69 | 108.7 Ų | 108.7 | 42% | 0.418 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.9 | -34.1 | -178.4 | -172.4 | 0 | 0 | 0 | 0 | 110.9 | L82 G83 L89 D90 | L82-V86 HydrophobicContact CB-CB 4.33Å; L82-V86 HydrophobicContact CB-CG1 4.46Å; L82-V86 HydrophobicContact CD2-CB 4.26Å; L82-V86 HydrophobicContact CD2-CG1 3.6Å; G83-V86 PolarHBondContact O-N 3.46Å; V86-L89 PolarHBondContact O-N 3.49Å; V86-D90 PolarHBondContact O-N 3.07Å |
| 87 | Y | 86.7 | Confident | 88.2 | Confident | 145 Ų | 145 | 104.3 Ų | 104.3 | 57% | 0.569 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.1 | -44.3 | 172.3 | 179.9 | -98.4 | 0 | 0 | 0 | 112.5 | G83 P84 I85 L89 D90 L91 | G83-Y87 PolarHBondContact O-N 2.95Å; G83-Y87 VanDerWaalsContact O-N 3.1Å; P84-Y87 PolarHBondContact O-N 2.84Å; I85-Y87 VanDerWaalsContact C-N 3.31Å; I85-Y87 PolarHBondContact O-N 2.94Å; Y87-L89 VanDerWaalsContact C-N 3.32Å; Y87-L89 PolarHBondContact O-N 3.3Å; Y87-D90 PolarHBondContact O-N 3.35Å; Y87-L91 PolarHBondContact O-N 3.36Å |
| 88 | V | 90.1 | Very high | 88.3 | Confident | 93 Ų | 93 | 108.8 Ų | 108.8 | 56% | 0.564 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.5 | -39.8 | 176 | 172.8 | 0 | 0 | 0 | 0 | 111 | P84 I85 L91 A92 | P84-V88 WeakPolarHBondContact O-CG2 3.4Å; P84-V88 PolarHBondContact O-N 2.92Å; P84-V88 VanDerWaalsContact O-N 3.09Å; I85-V88 PolarHBondContact O-N 2.89Å; V88-L91 PolarHBondContact O-N 3.09Å; V88-A92 WeakPolarHBondContact O-CB 3.48Å; V88-A92 PolarHBondContact O-N 3.01Å |
| 89 | L | 91.2 | Very high | 88.6 | Confident | 109 Ų | 109 | 104.8 Ų | 104.8 | 57% | 0.571 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.9 | -44.4 | 175.6 | -70.9 | 170.3 | 0 | 0 | 0 | 112.2 | I85 V86 Y87 L91 A92 D93 | I85-L89 HydrophobicContact CG2-CD1 4.1Å; I85-L89 WeakPolarHBondContact O-CG 3.3Å; I85-L89 PolarHBondContact O-N 3.43Å; V86-L89 PolarHBondContact O-N 3.49Å; Y87-L89 VanDerWaalsContact C-N 3.32Å; Y87-L89 PolarHBondContact O-N 3.3Å; L89-L91 VanDerWaalsContact C-N 3.33Å; L89-L91 PolarHBondContact O-N 3.32Å; L89-A92 PolarHBondContact O-N 3.45Å; L89-D93 WeakPolarHBondContact O-CB 3.34Å; L89-D93 PolarHBondContact O-N 2.87Å |
| 90 | D | 88.8 | Confident | 89 | Confident | 57 Ų | 57 | 100.8 Ų | 100.8 | 31% | 0.305 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.1 | -40.2 | 175.3 | 179.9 | 48.7 | 0 | 0 | 0 | 111.6 | V86 Y87 D93 R94 | V86-D90 PolarHBondContact O-N 3.07Å; Y87-D90 PolarHBondContact O-N 3.35Å; D90-D93 PolarHBondContact O-N 3.3Å; D90-R94 VanDerWaalsContact CG-NE 3.32Å; D90-R94 WeakPolarHBondContact O-CB 3.39Å; D90-R94 WeakPolarHBondContact O-CG 3.37Å; D90-R94 PolarHBondContact O-N 3.49Å; D90-R94 IonicContact OD1-CZ 2.68Å; D90-R94 IonicContact OD1-NE 3.1Å; D90-R94 PolarHBondContact OD1-NE 3.25Å; D90-R94 IonicContact OD1-NH2 3.8Å; D90-R94 PolarHBondContact OD1-NH2 2.86Å; D90-R94 IonicContact OD2-CZ 3.45Å; D90-R94 VanDerWaalsContact OD2-CZ 3.24Å; D90-R94 IonicContact OD2-NE 3.82Å; D90-R94 PolarHBondContact OD2-NE 2.9Å; D90-R94 IonicContact OD2-NH2 2.66Å; D90-R94 PolarHBondContact OD2-NH2 2.83Å |
| 91 | L | 87.3 | Confident | 89.5 | Confident | 83 Ų | 83 | 99.1 Ų | 99.1 | 44% | 0.435 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.8 | -44.7 | 175.1 | -178.5 | 61.3 | 0 | 0 | 0 | 111.7 | Y87 V88 L89 R94 L95 | Y87-L91 PolarHBondContact O-N 3.36Å; V88-L91 PolarHBondContact O-N 3.09Å; L89-L91 VanDerWaalsContact C-N 3.33Å; L89-L91 PolarHBondContact O-N 3.32Å; L91-R94 PolarHBondContact O-N 2.91Å; L91-L95 HydrophobicContact CG-CD1 4.31Å; L91-L95 WeakPolarHBondContact O-CG 3.12Å; L91-L95 PolarHBondContact O-N 3.36Å |
| 92 | A | 91.2 | Very high | 90.3 | Very high | 41 Ų | 41 | 96.4 Ų | 96.4 | 34% | 0.339 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.4 | -45.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | V88 L89 R94 L95 I96 | V88-A92 WeakPolarHBondContact O-CB 3.48Å; V88-A92 PolarHBondContact O-N 3.01Å; L89-A92 PolarHBondContact O-N 3.45Å; A92-R94 VanDerWaalsContact C-N 3.34Å; A92-R94 PolarHBondContact O-N 3.1Å; A92-L95 PolarHBondContact O-N 3.36Å; A92-I96 WeakPolarHBondContact O-CB 3.35Å; A92-I96 WeakPolarHBondContact O-CD1 3.45Å; A92-I96 WeakPolarHBondContact O-CG1 3.32Å; A92-I96 PolarHBondContact O-N 3.49Å |
| 93 | D | 91.3 | Very high | 91.1 | Very high | 95 Ų | 95 | 93.2 Ų | 93.2 | 51% | 0.508 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62 | -40.1 | 179.4 | -171.4 | 62.2 | 0 | 0 | 0 | 112.3 | L89 D90 I96 S97 | L89-D93 WeakPolarHBondContact O-CB 3.34Å; L89-D93 PolarHBondContact O-N 2.87Å; D90-D93 PolarHBondContact O-N 3.3Å; D93-I96 PolarHBondContact O-N 2.98Å; D93-S97 VanDerWaalsContact O-CB 3.22Å; D93-S97 WeakPolarHBondContact O-CB 3.48Å; D93-S97 PolarHBondContact O-N 2.71Å; D93-S97 PolarHBondContact O-OG 3.45Å |
| 94 | R | 89.5 | Confident | 91.4 | Very high | 156 Ų | 156 | 94.3 Ų | 94.3 | 59% | 0.589 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.6 | -42 | 173.7 | -71.3 | 172.3 | -168.6 | -135.9 | 12.3 | 112.6 | D90 L91 A92 K98 | D90-R94 VanDerWaalsContact CG-NE 3.32Å; D90-R94 WeakPolarHBondContact O-CB 3.39Å; D90-R94 WeakPolarHBondContact O-CG 3.37Å; D90-R94 PolarHBondContact O-N 3.49Å; D90-R94 IonicContact OD1-CZ 2.68Å; D90-R94 IonicContact OD1-NE 3.1Å; D90-R94 PolarHBondContact OD1-NE 3.25Å; D90-R94 IonicContact OD1-NH2 3.8Å; D90-R94 PolarHBondContact OD1-NH2 2.86Å; D90-R94 IonicContact OD2-CZ 3.45Å; D90-R94 VanDerWaalsContact OD2-CZ 3.24Å; D90-R94 IonicContact OD2-NE 3.82Å; D90-R94 PolarHBondContact OD2-NE 2.9Å; D90-R94 IonicContact OD2-NH2 2.66Å; D90-R94 PolarHBondContact OD2-NH2 2.83Å; L91-R94 PolarHBondContact O-N 2.91Å; A92-R94 VanDerWaalsContact C-N 3.34Å; A92-R94 PolarHBondContact O-N 3.1Å; R94-K98 WeakPolarHBondContact O-CB 3.49Å; R94-K98 PolarHBondContact O-N 2.91Å |
| 95 | L | 92.4 | Very high | 91.9 | Very high | 108 Ų | 108 | 91.3 Ų | 91.3 | 57% | 0.565 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.4 | -44.5 | 176.4 | -73.1 | 174.7 | 0 | 0 | 0 | 111.1 | L91 A92 K98 A99 | L91-L95 HydrophobicContact CG-CD1 4.31Å; L91-L95 WeakPolarHBondContact O-CG 3.12Å; L91-L95 PolarHBondContact O-N 3.36Å; A92-L95 PolarHBondContact O-N 3.36Å; L95-K98 PolarHBondContact O-N 2.96Å; L95-A99 WeakPolarHBondContact O-CB 3.23Å; L95-A99 PolarHBondContact O-N 2.68Å |
| 96 | I | 93.1 | Very high | 92.1 | Very high | 113 Ų | 113 | 87.3 Ų | 87.3 | 58% | 0.579 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63 | -47.3 | 177.5 | -69.3 | 164.1 | 0 | 0 | 0 | 110.2 | A92 D93 K98 A99 G100 | A92-I96 WeakPolarHBondContact O-CB 3.35Å; A92-I96 WeakPolarHBondContact O-CD1 3.45Å; A92-I96 WeakPolarHBondContact O-CG1 3.32Å; A92-I96 PolarHBondContact O-N 3.49Å; D93-I96 PolarHBondContact O-N 2.98Å; I96-K98 PolarHBondContact O-N 2.69Å; I96-A99 PolarHBondContact O-N 2.66Å; I96-G100 WeakPolarHBondContact O-CA 3.35Å; I96-G100 PolarHBondContact O-N 3.41Å |
| 97 | S | 91.4 | Very high | 92.4 | Very high | 78 Ų | 78 | 89.7 Ų | 89.7 | 55% | 0.545 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.4 | -36.5 | 178.8 | -67.9 | 0 | 0 | 0 | 0 | 112.2 | D93 P101 | D93-S97 VanDerWaalsContact O-CB 3.22Å; D93-S97 WeakPolarHBondContact O-CB 3.48Å; D93-S97 PolarHBondContact O-N 2.71Å; D93-S97 PolarHBondContact O-OG 3.45Å; S97-P101 WeakPolarHBondContact O-CD 3.35Å |
| 98 | K | 93.3 | Very high | 92.9 | Very high | 159 Ų | 159 | 88 Ų | 88 | 69% | 0.691 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -78.5 | -39 | 177.7 | -169.5 | 170.6 | -177.7 | 176.4 | 0 | 112.9 | R94 L95 I96 F102 | R94-K98 WeakPolarHBondContact O-CB 3.49Å; R94-K98 PolarHBondContact O-N 2.91Å; L95-K98 PolarHBondContact O-N 2.96Å; I96-K98 PolarHBondContact O-N 2.69Å; K98-F102 WeakPolarHBondContact O-CD2 3.41Å; K98-F102 VanDerWaalsContact O-CE2 3.31Å; K98-F102 WeakPolarHBondContact O-CE2 3.32Å |
| 99 | A | 93.9 | Very high | 93.2 | Very high | 53 Ų | 53 | 87.9 Ų | 87.9 | 44% | 0.438 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -82.4 | -26.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L95 I96 F102 A103 | L95-A99 WeakPolarHBondContact O-CB 3.23Å; L95-A99 PolarHBondContact O-N 2.68Å; I96-A99 PolarHBondContact O-N 2.66Å; A99-F102 PolarHBondContact O-N 2.89Å; A99-F102 VanDerWaalsContact O-N 3.12Å; A99-A103 PolarHBondContact O-N 2.83Å |
| 100 | G | 93 | Very high | 93.4 | Very high | 33 Ų | 33 | 84.6 Ų | 84.6 | 34% | 0.34 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -52.5 | -52.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | I96 F102 A103 A104 | I96-G100 WeakPolarHBondContact O-CA 3.35Å; I96-G100 PolarHBondContact O-N 3.41Å; G100-F102 VanDerWaalsContact C-N 3.32Å; G100-F102 PolarHBondContact O-N 2.92Å; G100-A103 PolarHBondContact O-N 3.47Å; G100-A104 WeakPolarHBondContact O-CB 2.88Å; G100-A104 PolarHBondContact O-N 3.17Å |
| 101 | P | 94.3 | Very high | 93.8 | Very high | 85 Ų | 85 | 85 Ų | 85 | 55% | 0.552 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.6 | -37.9 | 177.9 | -25.2 | 34.8 | 0 | 0 | 0 | 113.6 | S97 A105 | S97-P101 WeakPolarHBondContact O-CD 3.35Å; P101-A105 WeakPolarHBondContact O-CB 3.45Å; P101-A105 PolarHBondContact O-N 3.4Å |
| 102 | F | 94.9 | Very high | 94.2 | Very high | 152 Ų | 152 | 86 Ų | 86 | 67% | 0.667 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -71.6 | -42.3 | 178.6 | -61 | -75.5 | 0 | 0 | 0 | 111.9 | K98 A99 G100 A104 A105 G106 | K98-F102 WeakPolarHBondContact O-CD2 3.41Å; K98-F102 VanDerWaalsContact O-CE2 3.31Å; K98-F102 WeakPolarHBondContact O-CE2 3.32Å; A99-F102 PolarHBondContact O-N 2.89Å; A99-F102 VanDerWaalsContact O-N 3.12Å; G100-F102 VanDerWaalsContact C-N 3.32Å; G100-F102 PolarHBondContact O-N 2.92Å; F102-A104 VanDerWaalsContact C-N 3.35Å; F102-A105 PolarHBondContact O-N 3.2Å; F102-G106 PolarHBondContact O-N 3.38Å |
| 103 | A | 95.2 | Very high | 94.4 | Very high | 55 Ų | 55 | 88.2 Ų | 88.2 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | A99 G100 A105 G106 I107 | A99-A103 PolarHBondContact O-N 2.83Å; G100-A103 PolarHBondContact O-N 3.47Å; A103-A105 PolarHBondContact O-N 2.94Å; A103-G106 PolarHBondContact O-N 2.91Å; A103-I107 WeakPolarHBondContact O-CB 3.38Å; A103-I107 VanDerWaalsContact O-CG1 3.25Å; A103-I107 WeakPolarHBondContact O-CG1 3.22Å; A103-I107 PolarHBondContact O-N 3.42Å |
| 104 | A | 95.1 | Very high | 94.7 | Very high | 58 Ų | 58 | 92.2 Ų | 92.2 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.4 | -45.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G100 F102 G106 I107 M108 | G100-A104 WeakPolarHBondContact O-CB 2.88Å; G100-A104 PolarHBondContact O-N 3.17Å; F102-A104 VanDerWaalsContact C-N 3.35Å; A104-G106 PolarHBondContact O-N 3.24Å; A104-I107 PolarHBondContact O-N 2.98Å; A104-M108 WeakPolarHBondContact O-CB 3.14Å; A104-M108 PolarHBondContact O-N 3.25Å |
| 105 | A | 95.9 | Very high | 94.9 | Very high | 45 Ų | 45 | 88.8 Ų | 88.8 | 37% | 0.372 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.9 | -43 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | P101 F102 A103 M108 V109 | P101-A105 WeakPolarHBondContact O-CB 3.45Å; P101-A105 PolarHBondContact O-N 3.4Å; F102-A105 PolarHBondContact O-N 3.2Å; A103-A105 PolarHBondContact O-N 2.94Å; A105-M108 PolarHBondContact O-N 3.46Å; A105-V109 WeakPolarHBondContact O-CG2 3.37Å; A105-V109 PolarHBondContact O-N 2.91Å |
| 106 | G | 96.3 | Very high | 95.1 | Very high | 46 Ų | 46 | 84.6 Ų | 84.6 | 47% | 0.474 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62 | -45.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F102 A103 A104 M108 V109 G110 | F102-G106 PolarHBondContact O-N 3.38Å; A103-G106 PolarHBondContact O-N 2.91Å; A104-G106 PolarHBondContact O-N 3.24Å; G106-M108 VanDerWaalsContact C-N 3.35Å; G106-M108 PolarHBondContact O-N 2.95Å; G106-V109 PolarHBondContact O-N 3.4Å; G106-G110 PolarHBondContact O-N 3.5Å |
| 107 | I | 96.7 | Very high | 95.2 | Very high | 119 Ų | 119 | 80.5 Ų | 80.5 | 61% | 0.61 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -61.4 | -44.9 | 176.1 | -69 | 164.9 | 0 | 0 | 0 | 110.3 | A103 A104 G110 S111 | A103-I107 WeakPolarHBondContact O-CB 3.38Å; A103-I107 VanDerWaalsContact O-CG1 3.25Å; A103-I107 WeakPolarHBondContact O-CG1 3.22Å; A103-I107 PolarHBondContact O-N 3.42Å; A104-I107 PolarHBondContact O-N 2.98Å; I107-G110 PolarHBondContact O-N 2.98Å; I107-S111 WeakPolarHBondContact O-CB 3.39Å; I107-S111 PolarHBondContact O-N 3.05Å; I107-S111 PolarHBondContact O-OG 3.41Å |
| 108 | M | 96.8 | Very high | 95.4 | Very high | 110 Ų | 110 | 79.8 Ų | 79.8 | 54% | 0.542 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.2 | -50.4 | 178.6 | -178.4 | -177 | 62.2 | 0 | 0 | 112 | A104 A105 G106 G110 S111 I112 | A104-M108 WeakPolarHBondContact O-CB 3.14Å; A104-M108 PolarHBondContact O-N 3.25Å; A105-M108 PolarHBondContact O-N 3.46Å; G106-M108 VanDerWaalsContact C-N 3.35Å; G106-M108 PolarHBondContact O-N 2.95Å; M108-G110 PolarHBondContact O-N 3.32Å; M108-S111 PolarHBondContact O-N 3.42Å; M108-I112 HydrophobicContact CG-CD1 4.01Å; M108-I112 VanDerWaalsContact O-CG1 3.32Å; M108-I112 WeakPolarHBondContact O-CG1 3.21Å; M108-I112 PolarHBondContact O-N 2.84Å |
| 109 | V | 96.2 | Very high | 95.6 | Very high | 91 Ų | 91 | 74.3 Ų | 74.3 | 55% | 0.552 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -63.2 | -43.4 | 178.7 | 172.8 | 0 | 0 | 0 | 0 | 111 | A105 G106 S111 I112 Y113 | A105-V109 WeakPolarHBondContact O-CG2 3.37Å; A105-V109 PolarHBondContact O-N 2.91Å; G106-V109 PolarHBondContact O-N 3.4Å; V109-S111 VanDerWaalsContact C-N 3.29Å; V109-S111 PolarHBondContact O-N 2.99Å; V109-I112 PolarHBondContact O-N 3.15Å; V109-Y113 WeakPolarHBondContact O-CB 3.29Å; V109-Y113 PolarHBondContact O-N 3.46Å |
| 110 | G | 95.5 | Very high | 95.6 | Very high | 39 Ų | 39 | 71.8 Ų | 71.8 | 40% | 0.402 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59.6 | -40 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G106 I107 M108 Y113 W114 | G106-G110 PolarHBondContact O-N 3.5Å; I107-G110 PolarHBondContact O-N 2.98Å; M108-G110 PolarHBondContact O-N 3.32Å; G110-Y113 PolarHBondContact O-N 3.3Å; G110-W114 WeakPolarHBondContact O-CB 3.34Å; G110-W114 PolarHBondContact O-N 3.49Å |
| 111 | S | 96.7 | Very high | 95.7 | Very high | 66 Ų | 66 | 71.1 Ų | 71.1 | 46% | 0.462 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -68.3 | -43.9 | 178.6 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | I107 M108 V109 Y113 T115 | I107-S111 WeakPolarHBondContact O-CB 3.39Å; I107-S111 PolarHBondContact O-N 3.05Å; I107-S111 PolarHBondContact O-OG 3.41Å; M108-S111 PolarHBondContact O-N 3.42Å; V109-S111 VanDerWaalsContact C-N 3.29Å; V109-S111 PolarHBondContact O-N 2.99Å; S111-Y113 VanDerWaalsContact C-N 3.33Å; S111-T115 WeakPolarHBondContact O-CB 3.39Å; S111-T115 VanDerWaalsContact O-CG2 3.28Å; S111-T115 WeakPolarHBondContact O-CG2 3.33Å; S111-T115 PolarHBondContact O-N 3.07Å; S111-T115 PolarHBondContact O-OG1 3.35Å |
| 112 | I | 94.9 | Very high | 95.7 | Very high | 105 Ų | 105 | 70.4 Ų | 70.4 | 54% | 0.538 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 175.2 | -66.7 | 166.2 | 0 | 0 | 0 | 110.6 | M108 V109 T115 A116 | M108-I112 HydrophobicContact CG-CD1 4.01Å; M108-I112 VanDerWaalsContact O-CG1 3.32Å; M108-I112 WeakPolarHBondContact O-CG1 3.21Å; M108-I112 PolarHBondContact O-N 2.84Å; V109-I112 PolarHBondContact O-N 3.15Å; I112-T115 WeakPolarHBondContact CA-OG1 3.38Å; I112-T115 PolarHBondContact O-OG1 2.96Å; I112-A116 WeakPolarHBondContact O-CB 3.41Å; I112-A116 PolarHBondContact O-N 3.14Å |
| 113 | Y | 96.1 | Very high | 95.8 | Very high | 87 Ų | 87 | 63.6 Ų | 63.6 | 34% | 0.341 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.2 | -50.1 | 178.3 | 175.8 | -97.9 | 0 | 0 | 0 | 111.8 | V109 G110 S111 T115 A116 V117 L146 P150 | V109-Y113 WeakPolarHBondContact O-CB 3.29Å; V109-Y113 PolarHBondContact O-N 3.46Å; G110-Y113 PolarHBondContact O-N 3.3Å; S111-Y113 VanDerWaalsContact C-N 3.33Å; Y113-T115 VanDerWaalsContact C-N 3.32Å; Y113-T115 PolarHBondContact O-N 3.5Å; Y113-A116 WeakPolarHBondContact O-CB 3.41Å; Y113-A116 PolarHBondContact O-N 2.92Å; Y113-A116 VanDerWaalsContact O-N 3.11Å; Y113-V117 HydrophobicContact CD1-CG2 4.12Å; Y113-V117 HydrophobicContact CD2-CG2 4.47Å; Y113-V117 HydrophobicContact CE1-CG2 3.64Å; Y113-V117 HydrophobicContact CE2-CG2 4.04Å; Y113-V117 WeakPolarHBondContact O-CG2 3.5Å; Y113-V117 PolarHBondContact O-N 2.81Å; Y113-L146 HydrophobicContact CE1-CD1 4.37Å; Y113-L146 WeakPolarHBondContact OH-CD1 3.31Å; Y113-L146 WeakPolarHBondContact OH-CG 3.43Å; Y113-L146 PolarHBondContact OH-O 3.42Å; Y113-P150 HydrophobicContact CD2-CB 4.45Å; Y113-P150 HydrophobicContact CD2-CG 4.42Å; Y113-P150 HydrophobicContact CE2-CB 4.3Å; Y113-P150 HydrophobicContact CE2-CG 3.8Å |
| 114 | W | 96.8 | Very high | 95.7 | Very high | 179 Ų | 179 | 62.3 Ų | 62.3 | 68% | 0.678 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63 | -39.1 | -179.2 | -167.9 | -97.2 | 0 | 0 | 0 | 112.5 | G110 V117 T118 | G110-W114 WeakPolarHBondContact O-CB 3.34Å; G110-W114 PolarHBondContact O-N 3.49Å; W114-V117 PolarHBondContact O-N 3.46Å; W114-T118 WeakPolarHBondContact O-CG2 3.49Å; W114-T118 PolarHBondContact O-N 3.38Å; W114-T118 PolarHBondContact O-OG1 3.4Å |
| 115 | T | 95.6 | Very high | 95.7 | Very high | 84 Ų | 84 | 62 Ų | 62 | 52% | 0.515 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.8 | -38.3 | 173.9 | 50.3 | 0 | 0 | 0 | 0 | 112 | S111 I112 Y113 T118 Y119 | S111-T115 WeakPolarHBondContact O-CB 3.39Å; S111-T115 VanDerWaalsContact O-CG2 3.28Å; S111-T115 WeakPolarHBondContact O-CG2 3.33Å; S111-T115 PolarHBondContact O-N 3.07Å; S111-T115 PolarHBondContact O-OG1 3.35Å; I112-T115 WeakPolarHBondContact CA-OG1 3.38Å; I112-T115 PolarHBondContact O-OG1 2.96Å; Y113-T115 VanDerWaalsContact C-N 3.32Å; Y113-T115 PolarHBondContact O-N 3.5Å; T115-T118 WeakPolarHBondContact CA-OG1 3.34Å; T115-T118 PolarHBondContact O-OG1 2.98Å; T115-Y119 VanDerWaalsContact O-CB 3.25Å; T115-Y119 WeakPolarHBondContact O-CB 3.18Å; T115-Y119 PolarHBondContact O-N 3.31Å |
| 116 | A | 95.7 | Very high | 95.5 | Very high | 20 Ų | 20 | 63 Ų | 63 | 17% | 0.165 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66 | -41.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I112 Y113 G120 P150 P153 | I112-A116 WeakPolarHBondContact O-CB 3.41Å; I112-A116 PolarHBondContact O-N 3.14Å; Y113-A116 WeakPolarHBondContact O-CB 3.41Å; Y113-A116 PolarHBondContact O-N 2.92Å; Y113-A116 VanDerWaalsContact O-N 3.11Å; A116-G120 PolarHBondContact O-N 3.5Å; A116-P150 HydrophobicContact CB-CB 3.7Å; A116-P153 HydrophobicContact CB-CG 3.93Å |
| 117 | V | 96 | Very high | 95.4 | Very high | 27 Ų | 27 | 62.2 Ų | 62.2 | 16% | 0.164 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61 | -51 | 175.4 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | Y113 W114 Y119 G120 A121 L149 P150 | Y113-V117 HydrophobicContact CD1-CG2 4.12Å; Y113-V117 HydrophobicContact CD2-CG2 4.47Å; Y113-V117 HydrophobicContact CE1-CG2 3.64Å; Y113-V117 HydrophobicContact CE2-CG2 4.04Å; Y113-V117 WeakPolarHBondContact O-CG2 3.5Å; Y113-V117 PolarHBondContact O-N 2.81Å; W114-V117 PolarHBondContact O-N 3.46Å; V117-Y119 PolarHBondContact O-N 2.93Å; V117-G120 PolarHBondContact O-N 2.75Å; V117-A121 PolarHBondContact O-N 3.2Å; V117-L149 HydrophobicContact CG1-CB 4.4Å; V117-L149 HydrophobicContact CG1-CD1 4.09Å; V117-P150 HydrophobicContact CG2-CB 4.17Å; V117-P150 HydrophobicContact CG2-CG 4.06Å |
| 118 | T | 95.1 | Very high | 95.2 | Very high | 62 Ų | 62 | 57.6 Ų | 57.6 | 38% | 0.38 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.2 | -41.9 | -179.4 | 49.8 | 0 | 0 | 0 | 0 | 111.5 | W114 T115 A121 V122 | W114-T118 WeakPolarHBondContact O-CG2 3.49Å; W114-T118 PolarHBondContact O-N 3.38Å; W114-T118 PolarHBondContact O-OG1 3.4Å; T115-T118 WeakPolarHBondContact CA-OG1 3.34Å; T115-T118 PolarHBondContact O-OG1 2.98Å; T118-A121 PolarHBondContact O-N 3.25Å; T118-V122 WeakPolarHBondContact O-CG2 3.45Å; T118-V122 PolarHBondContact O-N 2.99Å |
| 119 | Y | 96 | Very high | 95 | Very high | 45 Ų | 45 | 53.2 Ų | 53.2 | 18% | 0.176 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63 | -41.6 | 174.4 | 179.5 | -87.6 | 0 | 0 | 0 | 112.6 | T115 V117 V122 T123 P153 L156 L217 P220 | T115-Y119 VanDerWaalsContact O-CB 3.25Å; T115-Y119 WeakPolarHBondContact O-CB 3.18Å; T115-Y119 PolarHBondContact O-N 3.31Å; V117-Y119 PolarHBondContact O-N 2.93Å; Y119-V122 PolarHBondContact O-N 3.19Å; Y119-T123 WeakPolarHBondContact CE1-OG1 3.37Å; Y119-T123 WeakPolarHBondContact O-CB 3.23Å; Y119-T123 PolarHBondContact O-N 2.95Å; Y119-T123 PolarHBondContact O-OG1 3.32Å; Y119-P153 HydrophobicContact CD1-CB 3.57Å; Y119-P153 HydrophobicContact CD1-CG 3.86Å; Y119-P153 HydrophobicContact CE1-CB 3.92Å; Y119-L156 HydrophobicContact CE1-CD1 3.92Å; Y119-L217 HydrophobicContact CD1-CD2 3.97Å; Y119-L217 HydrophobicContact CD2-CD2 3.95Å; Y119-L217 HydrophobicContact CE1-CD2 3.66Å; Y119-L217 HydrophobicContact CE2-CB 3.85Å; Y119-L217 HydrophobicContact CE2-CD2 3.63Å; Y119-L217 HydrophobicContact CE2-CG 4.28Å; Y119-L217 WeakPolarHBondContact CE2-O 3.45Å; Y119-L217 HydrophobicContact CG-CD2 4.11Å; Y119-L217 VanDerWaalsContact CZ-CD2 3.5Å; Y119-L217 WeakPolarHBondContact OH-CA 3.25Å; Y119-L217 PolarHBondContact OH-O 3.07Å; Y119-P220 WeakPolarHBondContact OH-CD 3.11Å; Y119-P220 WeakPolarHBondContact OH-CG 3.49Å |
| 120 | G | 95.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.9 | -47.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | A116 V117 T123 V124 L149 | A116-G120 PolarHBondContact O-N 3.5Å; V117-G120 PolarHBondContact O-N 2.75Å; G120-T123 WeakPolarHBondContact O-CB 3.32Å; G120-T123 PolarHBondContact O-N 2.84Å; G120-V124 WeakPolarHBondContact O-CG2 3.21Å; G120-V124 PolarHBondContact O-N 3.46Å; G120-L149 WeakPolarHBondContact CA-O 3.49Å |
| 121 | A | 94.9 | Very high | 94.6 | Very high | 18 Ų | 18 | 62 Ų | 62 | 15% | 0.149 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.3 | -47.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | V117 T118 T123 V124 M125 M137 L149 | V117-A121 PolarHBondContact O-N 3.2Å; T118-A121 PolarHBondContact O-N 3.25Å; A121-T123 VanDerWaalsContact C-N 3.26Å; A121-T123 PolarHBondContact O-N 3.32Å; A121-V124 PolarHBondContact O-N 3.11Å; A121-M125 WeakPolarHBondContact O-CG 3.36Å; A121-M125 PolarHBondContact O-N 3.25Å; A121-M137 HydrophobicContact CB-CE 3.76Å; A121-M137 HydrophobicContact CB-SD 4.28Å; A121-L149 HydrophobicContact CB-CD1 4.27Å |
| 122 | V | 94.9 | Very high | 94.3 | Very high | 70 Ų | 70 | 64 Ų | 64 | 42% | 0.424 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.2 | -40.6 | 176.1 | 170.7 | 0 | 0 | 0 | 0 | 111 | T118 Y119 M125 Q126 | T118-V122 WeakPolarHBondContact O-CG2 3.45Å; T118-V122 PolarHBondContact O-N 2.99Å; Y119-V122 PolarHBondContact O-N 3.19Å; V122-M125 PolarHBondContact O-N 3.23Å; V122-Q126 HydrophobicContact CG1-CG 4.31Å; V122-Q126 WeakPolarHBondContact O-CB 3.14Å; V122-Q126 VanDerWaalsContact O-CG 3.23Å; V122-Q126 WeakPolarHBondContact O-CG 3.35Å; V122-Q126 PolarHBondContact O-N 2.84Å |
| 123 | T | 95.1 | Very high | 94.2 | Very high | 10 Ų | 10 | 59 Ų | 59 | 6% | 0.061 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 177.8 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | Y119 G120 A121 Q126 V127 I152 P220 | Y119-T123 WeakPolarHBondContact CE1-OG1 3.37Å; Y119-T123 WeakPolarHBondContact O-CB 3.23Å; Y119-T123 PolarHBondContact O-N 2.95Å; Y119-T123 PolarHBondContact O-OG1 3.32Å; G120-T123 WeakPolarHBondContact O-CB 3.32Å; G120-T123 PolarHBondContact O-N 2.84Å; A121-T123 VanDerWaalsContact C-N 3.26Å; A121-T123 PolarHBondContact O-N 3.32Å; T123-Q126 PolarHBondContact O-N 3.24Å; T123-V127 HydrophobicContact CG2-CG2 4.18Å; T123-V127 WeakPolarHBondContact O-CB 3.18Å; T123-V127 VanDerWaalsContact O-CG2 3.24Å; T123-V127 WeakPolarHBondContact O-CG2 3.42Å; T123-V127 PolarHBondContact O-N 2.74Å; T123-I152 HydrophobicContact CG2-CG2 3.79Å; T123-P220 HydrophobicContact CG2-CB 3.79Å; T123-P220 HydrophobicContact CG2-CG 3.69Å |
| 124 | V | 95.1 | Very high | 94.1 | Very high | 27 Ų | 27 | 59 Ų | 59 | 16% | 0.164 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.6 | -48 | 175.8 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | G120 A121 Q126 V127 V128 M137 L149 I152 | G120-V124 WeakPolarHBondContact O-CG2 3.21Å; G120-V124 PolarHBondContact O-N 3.46Å; A121-V124 PolarHBondContact O-N 3.11Å; V124-Q126 VanDerWaalsContact C-N 3.27Å; V124-Q126 PolarHBondContact O-N 3.49Å; V124-V127 PolarHBondContact O-N 2.98Å; V124-V128 HydrophobicContact CG1-CG2 4.15Å; V124-V128 WeakPolarHBondContact O-CB 3.23Å; V124-V128 WeakPolarHBondContact O-CG2 3.13Å; V124-V128 PolarHBondContact O-N 3.35Å; V124-M137 HydrophobicContact CG1-CG 4.5Å; V124-L149 HydrophobicContact CG2-CD2 4.13Å; V124-I152 HydrophobicContact CG2-CD1 3.7Å |
| 125 | M | 93.4 | Very high | 94 | Very high | 51 Ų | 51 | 53.2 Ų | 53.2 | 25% | 0.251 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.5 | -35 | 177.2 | -71.3 | -170.7 | 133.9 | 0 | 0 | 113 | A121 V122 G129 H130 L134 | A121-M125 WeakPolarHBondContact O-CG 3.36Å; A121-M125 PolarHBondContact O-N 3.25Å; V122-M125 PolarHBondContact O-N 3.23Å; M125-G129 CarbonylContact O-C 3.59Å; M125-G129 WeakPolarHBondContact O-CA 3.37Å; M125-G129 PolarHBondContact O-N 3.3Å; M125-H130 WeakPolarHBondContact CE-ND1 3.3Å; M125-L134 HydrophobicContact CE-CB 4.36Å; M125-L134 HydrophobicContact CE-CD1 4.12Å |
| 126 | Q | 93.3 | Very high | 93.9 | Very high | 68 Ų | 68 | 53 Ų | 53 | 32% | 0.318 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -72.1 | -44.1 | 177.5 | -76 | 174.3 | -5.1 | 0 | 0 | 112.7 | V122 T123 V124 T221 | V122-Q126 HydrophobicContact CG1-CG 4.31Å; V122-Q126 WeakPolarHBondContact O-CB 3.14Å; V122-Q126 VanDerWaalsContact O-CG 3.23Å; V122-Q126 WeakPolarHBondContact O-CG 3.35Å; V122-Q126 PolarHBondContact O-N 2.84Å; T123-Q126 PolarHBondContact O-N 3.24Å; V124-Q126 VanDerWaalsContact C-N 3.27Å; V124-Q126 PolarHBondContact O-N 3.49Å; Q126-T221 VanDerWaalsContact OE1-CG2 3.27Å |
| 127 | V | 93.9 | Very high | 93.7 | Very high | 28 Ų | 28 | 54 Ų | 54 | 17% | 0.17 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -77.5 | -45.7 | -173.6 | 173.2 | 0 | 0 | 0 | 0 | 111.8 | T123 V124 P220 N237 L238 T241 | T123-V127 HydrophobicContact CG2-CG2 4.18Å; T123-V127 WeakPolarHBondContact O-CB 3.18Å; T123-V127 VanDerWaalsContact O-CG2 3.24Å; T123-V127 WeakPolarHBondContact O-CG2 3.42Å; T123-V127 PolarHBondContact O-N 2.74Å; V124-V127 PolarHBondContact O-N 2.98Å; V127-P220 HydrophobicContact CG2-CB 4.46Å; V127-N237 CarbonylContact O-C 3.09Å; V127-L238 HydrophobicContact CG1-CG 4.33Å; V127-L238 PolarHBondContact O-N 3.45Å; V127-T241 HydrophobicContact CB-CG2 4.23Å; V127-T241 HydrophobicContact CG1-CG2 3.95Å; V127-T241 HydrophobicContact CG2-CG2 3.92Å; V127-T241 PolarHBondContact O-OG1 2.85Å |
| 128 | V | 92.9 | Very high | 93.6 | Very high | 22 Ų | 22 | 60.2 Ų | 60.2 | 13% | 0.133 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -84.1 | -35.2 | -177.7 | -174 | 0 | 0 | 0 | 0 | 110.5 | V124 E132 N237 L238 | V124-V128 HydrophobicContact CG1-CG2 4.15Å; V124-V128 WeakPolarHBondContact O-CB 3.23Å; V124-V128 WeakPolarHBondContact O-CG2 3.13Å; V124-V128 PolarHBondContact O-N 3.35Å; V128-E132 HydrophobicContact CG1-CB 3.7Å; V128-N237 WeakPolarHBondContact O-CB 3.42Å; V128-N237 PolarHBondContact O-ND2 2.96Å; V128-L238 HydrophobicContact CG2-CD1 4.21Å |
| 129 | G | 90.7 | Very high | 93.5 | Very high | 18 Ų | 18 | 66.3 Ų | 66.3 | 19% | 0.186 | 33% | 0.326 | C | S | . | . | trans | 110.9 | 156.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | M125 G133 | M125-G129 CarbonylContact O-C 3.59Å; M125-G129 WeakPolarHBondContact O-CA 3.37Å; M125-G129 PolarHBondContact O-N 3.3Å; G129-G133 WeakPolarHBondContact O-CA 3.44Å; G129-G133 PolarHBondContact O-N 3.32Å | ||
| 130 | H | 91.6 | Very high | 93.3 | Very high | 130 Ų | 130 | 65.4 Ų | 65.4 | 60% | 0.602 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -64.8 | -46.8 | -168.1 | -175.3 | 69.4 | 0 | 0 | 0 | 113.7 | M125 L134 | M125-H130 WeakPolarHBondContact CE-ND1 3.3Å; H130-L134 WeakPolarHBondContact O-CB 3.43Å; H130-L134 PolarHBondContact O-N 2.88Å; H130-L134 VanDerWaalsContact O-N 3.14Å |
| 131 | K | 92.1 | Very high | 93.2 | Very high | 185 Ų | 185 | 70 Ų | 70 | 80% | 0.804 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -72.9 | -50.3 | -177.9 | -65.1 | -174.9 | 177.7 | -178.9 | 0 | 112.2 | G133 L134 D135 | K131-G133 VanDerWaalsContact C-N 3.35Å; K131-L134 PolarHBondContact O-N 3.44Å; K131-D135 PolarHBondContact O-N 3.49Å |
| 132 | E | 92.1 | Very high | 93 | Very high | 108 Ų | 108 | 73.8 Ų | 73.8 | 51% | 0.505 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.2 | -38.7 | 178.6 | -69 | 175.5 | -170.9 | 0 | 0 | 111.6 | V128 D135 V136 | V128-E132 HydrophobicContact CG1-CB 3.7Å; E132-D135 PolarHBondContact O-N 3.22Å; E132-V136 WeakPolarHBondContact O-CB 3.45Å; E132-V136 VanDerWaalsContact O-CG2 3.25Å; E132-V136 WeakPolarHBondContact O-CG2 3.24Å; E132-V136 PolarHBondContact O-N 3.41Å |
| 133 | G | 92.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65 | -39.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G129 K131 V136 M137 | G129-G133 WeakPolarHBondContact O-CA 3.44Å; G129-G133 PolarHBondContact O-N 3.32Å; K131-G133 VanDerWaalsContact C-N 3.35Å; G133-V136 PolarHBondContact O-N 3.5Å; G133-M137 WeakPolarHBondContact O-CB 3.47Å; G133-M137 VanDerWaalsContact O-CG 3.25Å; G133-M137 WeakPolarHBondContact O-CG 3.46Å; G133-M137 PolarHBondContact O-N 3.26Å |
| 134 | L | 93.7 | Very high | 92.6 | Very high | 88 Ų | 88 | 82.2 Ų | 82.2 | 46% | 0.461 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.5 | -44.8 | 175 | -170.6 | 70 | 0 | 0 | 0 | 111.4 | M125 H130 K131 V136 M137 E138 | M125-L134 HydrophobicContact CE-CB 4.36Å; M125-L134 HydrophobicContact CE-CD1 4.12Å; H130-L134 WeakPolarHBondContact O-CB 3.43Å; H130-L134 PolarHBondContact O-N 2.88Å; H130-L134 VanDerWaalsContact O-N 3.14Å; K131-L134 PolarHBondContact O-N 3.44Å; L134-V136 VanDerWaalsContact C-N 3.35Å; L134-V136 PolarHBondContact O-N 2.88Å; L134-M137 PolarHBondContact O-N 3.04Å; L134-M137 VanDerWaalsContact O-N 3.15Å; L134-E138 WeakPolarHBondContact O-CB 3.37Å; L134-E138 PolarHBondContact O-N 2.98Å |
| 135 | D | 94.3 | Very high | 92.4 | Very high | 57 Ų | 57 | 82.9 Ų | 82.9 | 31% | 0.305 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 176.8 | -178.2 | 68.1 | 0 | 0 | 0 | 112.1 | K131 E132 E138 R139 | K131-D135 PolarHBondContact O-N 3.49Å; E132-D135 PolarHBondContact O-N 3.22Å; D135-E138 PolarHBondContact O-N 3.02Å; D135-R139 VanDerWaalsContact CG-CZ 3.4Å; D135-R139 VanDerWaalsContact CG-NE 3.25Å; D135-R139 WeakPolarHBondContact O-CB 3.44Å; D135-R139 VanDerWaalsContact O-CG 3.24Å; D135-R139 WeakPolarHBondContact O-CG 3.34Å; D135-R139 PolarHBondContact O-N 3.2Å; D135-R139 IonicContact OD1-CZ 3.1Å; D135-R139 IonicContact OD1-NE 2.83Å; D135-R139 PolarHBondContact OD1-NE 3.25Å; D135-R139 IonicContact OD1-NH2 2.75Å; D135-R139 PolarHBondContact OD1-NH2 3.47Å; D135-R139 IonicContact OD2-CZ 2.94Å; D135-R139 IonicContact OD2-NE 3.12Å; D135-R139 PolarHBondContact OD2-NE 2.94Å; D135-R139 VanDerWaalsContact OD2-NE 3.12Å; D135-R139 IonicContact OD2-NH1 3.5Å; D135-R139 IonicContact OD2-NH2 2.96Å; D135-R139 PolarHBondContact OD2-NH2 3.36Å |
| 136 | V | 92.4 | Very high | 92.3 | Very high | 79 Ų | 79 | 84.9 Ų | 84.9 | 48% | 0.479 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64 | -40.6 | 173.3 | 168.9 | 0 | 0 | 0 | 0 | 111.5 | E132 G133 L134 A140 | E132-V136 WeakPolarHBondContact O-CB 3.45Å; E132-V136 VanDerWaalsContact O-CG2 3.25Å; E132-V136 WeakPolarHBondContact O-CG2 3.24Å; E132-V136 PolarHBondContact O-N 3.41Å; G133-V136 PolarHBondContact O-N 3.5Å; L134-V136 VanDerWaalsContact C-N 3.35Å; L134-V136 PolarHBondContact O-N 2.88Å; V136-A140 VanDerWaalsContact O-CB 3.32Å; V136-A140 WeakPolarHBondContact O-CB 3.33Å; V136-A140 PolarHBondContact O-N 2.86Å |
| 137 | M | 92.6 | Very high | 92.3 | Very high | 41 Ų | 41 | 87.1 Ų | 87.1 | 20% | 0.202 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -69.5 | -37.2 | 177.7 | -73.6 | 175.8 | 64.9 | 0 | 0 | 112.2 | A121 V124 G133 L134 L145 L149 | A121-M137 HydrophobicContact CB-CE 3.76Å; A121-M137 HydrophobicContact CB-SD 4.28Å; V124-M137 HydrophobicContact CG1-CG 4.5Å; G133-M137 WeakPolarHBondContact O-CB 3.47Å; G133-M137 VanDerWaalsContact O-CG 3.25Å; G133-M137 WeakPolarHBondContact O-CG 3.46Å; G133-M137 PolarHBondContact O-N 3.26Å; L134-M137 PolarHBondContact O-N 3.04Å; L134-M137 VanDerWaalsContact O-N 3.15Å; M137-L145 HydrophobicContact CB-CD2 4.32Å; M137-L145 HydrophobicContact CG-CD2 4.21Å; M137-L145 WeakPolarHBondContact O-CD1 3.21Å; M137-L149 HydrophobicContact CE-CD1 4.26Å |
| 138 | E | 93.1 | Very high | 92.3 | Very high | 158 Ų | 158 | 86.4 Ų | 86.4 | 74% | 0.738 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -71.4 | -34.9 | 179.2 | -172.5 | 174.4 | -175.9 | 0 | 0 | 112.5 | L134 D135 | L134-E138 WeakPolarHBondContact O-CB 3.37Å; L134-E138 PolarHBondContact O-N 2.98Å; D135-E138 PolarHBondContact O-N 3.02Å |
| 139 | R | 93 | Very high | 92.4 | Very high | 190 Ų | 190 | 86.1 Ų | 86.1 | 72% | 0.717 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -82 | -16.8 | 179.1 | -66.6 | 176.9 | -169.1 | -171.3 | 7.9 | 114.2 | D135 | D135-R139 VanDerWaalsContact CG-CZ 3.4Å; D135-R139 VanDerWaalsContact CG-NE 3.25Å; D135-R139 WeakPolarHBondContact O-CB 3.44Å; D135-R139 VanDerWaalsContact O-CG 3.24Å; D135-R139 WeakPolarHBondContact O-CG 3.34Å; D135-R139 PolarHBondContact O-N 3.2Å; D135-R139 IonicContact OD1-CZ 3.1Å; D135-R139 IonicContact OD1-NE 2.83Å; D135-R139 PolarHBondContact OD1-NE 3.25Å; D135-R139 IonicContact OD1-NH2 2.75Å; D135-R139 PolarHBondContact OD1-NH2 3.47Å; D135-R139 IonicContact OD2-CZ 2.94Å; D135-R139 IonicContact OD2-NE 3.12Å; D135-R139 PolarHBondContact OD2-NE 2.94Å; D135-R139 VanDerWaalsContact OD2-NE 3.12Å; D135-R139 IonicContact OD2-NH1 3.5Å; D135-R139 IonicContact OD2-NH2 2.96Å; D135-R139 PolarHBondContact OD2-NH2 3.36Å |
| 140 | A | 91.8 | Very high | 92.6 | Very high | 26 Ų | 26 | 86.1 Ų | 86.1 | 22% | 0.215 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -75.6 | 149.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V136 F144 L145 | V136-A140 VanDerWaalsContact O-CB 3.32Å; V136-A140 WeakPolarHBondContact O-CB 3.33Å; V136-A140 PolarHBondContact O-N 2.86Å; A140-F144 HydrophobicContact CB-CD1 4.44Å; A140-L145 HydrophobicContact CB-CD1 4.36Å; A140-L145 HydrophobicContact CB-CD2 3.9Å; A140-L145 HydrophobicContact CB-CG 3.96Å |
| 141 | D | 93.2 | Very high | 92.7 | Very high | 95 Ų | 95 | 82.8 Ų | 82.8 | 51% | 0.508 | 42% | 0.419 | S | S | . | . | trans | -60.8 | 136.3 | 174.6 | -173.5 | -77.9 | 0 | 0 | 0 | 110.7 | L143 F144 L145 | D141-L143 PolarHBondContact O-N 2.87Å; D141-L143 VanDerWaalsContact O-N 3.17Å; D141-L143 VanDerWaalsContact OD1-CB 3.25Å; D141-L143 WeakPolarHBondContact OD1-CB 3.45Å; D141-L143 PolarHBondContact OD1-N 2.92Å; D141-F144 HydrophobicContact CB-CB 4.27Å; D141-F144 WeakPolarHBondContact O-CA 3.36Å; D141-F144 WeakPolarHBondContact O-CB 3.49Å; D141-F144 PolarHBondContact O-N 3.13Å; D141-L145 PolarHBondContact O-N 3.29Å; D141-L145 VanDerWaalsContact O-N 3.08Å | ||
| 142 | P | 92.6 | Very high | 92.8 | Very high | 98 Ų | 98 | 76 Ų | 76 | 64% | 0.636 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -54.1 | -35.6 | 179.9 | -27.1 | 34.4 | 0 | 0 | 0 | 114.2 | L145 L146 | P142-L145 PolarHBondContact O-N 2.87Å; P142-L146 WeakPolarHBondContact O-CB 3.5Å; P142-L146 PolarHBondContact O-N 2.85Å |
| 143 | L | 90 | Very high | 92.9 | Very high | 114 Ų | 114 | 71.3 Ų | 71.3 | 60% | 0.597 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -69.6 | -36.8 | 177.7 | -62.5 | 173.7 | 0 | 0 | 0 | 111.4 | D141 L145 L146 I147 | D141-L143 PolarHBondContact O-N 2.87Å; D141-L143 VanDerWaalsContact O-N 3.17Å; D141-L143 VanDerWaalsContact OD1-CB 3.25Å; D141-L143 WeakPolarHBondContact OD1-CB 3.45Å; D141-L143 PolarHBondContact OD1-N 2.92Å; L143-L145 VanDerWaalsContact C-N 3.35Å; L143-L146 PolarHBondContact O-N 3.27Å; L143-I147 WeakPolarHBondContact O-CG1 3.44Å; L143-I147 PolarHBondContact O-N 2.9Å |
| 144 | F | 89.9 | Confident | 92.9 | Very high | 144 Ų | 144 | 74.9 Ų | 74.9 | 63% | 0.632 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -66.8 | -37 | 175.7 | -174.6 | -96.4 | 0 | 0 | 0 | 111.6 | A140 D141 G148 | A140-F144 HydrophobicContact CB-CD1 4.44Å; D141-F144 HydrophobicContact CB-CB 4.27Å; D141-F144 WeakPolarHBondContact O-CA 3.36Å; D141-F144 WeakPolarHBondContact O-CB 3.49Å; D141-F144 PolarHBondContact O-N 3.13Å; F144-G148 WeakPolarHBondContact O-CA 3.43Å; F144-G148 PolarHBondContact O-N 3.35Å |
| 145 | L | 91.1 | Very high | 92.9 | Very high | 41 Ų | 41 | 76.2 Ų | 76.2 | 22% | 0.215 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -68.6 | -43.4 | 174.3 | -65.9 | 170.7 | 0 | 0 | 0 | 112 | M137 A140 D141 P142 L143 I147 L149 | M137-L145 HydrophobicContact CB-CD2 4.32Å; M137-L145 HydrophobicContact CG-CD2 4.21Å; M137-L145 WeakPolarHBondContact O-CD1 3.21Å; A140-L145 HydrophobicContact CB-CD1 4.36Å; A140-L145 HydrophobicContact CB-CD2 3.9Å; A140-L145 HydrophobicContact CB-CG 3.96Å; D141-L145 PolarHBondContact O-N 3.29Å; D141-L145 VanDerWaalsContact O-N 3.08Å; P142-L145 PolarHBondContact O-N 2.87Å; L143-L145 VanDerWaalsContact C-N 3.35Å; L145-I147 PolarHBondContact O-N 3.32Å; L145-L149 HydrophobicContact CB-CD1 4.32Å; L145-L149 HydrophobicContact CD2-CD1 4.37Å; L145-L149 HydrophobicContact CD2-CG 4.47Å; L145-L149 WeakPolarHBondContact O-CB 3.37Å; L145-L149 VanDerWaalsContact O-CG 3.23Å; L145-L149 WeakPolarHBondContact O-CG 3.37Å; L145-L149 PolarHBondContact O-N 2.97Å |
| 146 | L | 91.9 | Very high | 92.8 | Very high | 92 Ų | 92 | 75.3 Ų | 75.3 | 48% | 0.482 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.8 | -45.7 | -179.8 | -168.4 | 72.1 | 0 | 0 | 0 | 111 | Y113 P142 L143 P150 | Y113-L146 HydrophobicContact CE1-CD1 4.37Å; Y113-L146 WeakPolarHBondContact OH-CD1 3.31Å; Y113-L146 WeakPolarHBondContact OH-CG 3.43Å; Y113-L146 PolarHBondContact OH-O 3.42Å; P142-L146 WeakPolarHBondContact O-CB 3.5Å; P142-L146 PolarHBondContact O-N 2.85Å; L143-L146 PolarHBondContact O-N 3.27Å; L146-P150 WeakPolarHBondContact O-CD 3.2Å; L146-P150 VanDerWaalsContact O-CG 3.23Å; L146-P150 WeakPolarHBondContact O-CG 3.49Å |
| 147 | I | 93.6 | Very high | 92.7 | Very high | 115 Ų | 115 | 73.7 Ų | 73.7 | 59% | 0.59 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -87.4 | -39.3 | -178.4 | -60.5 | 169.7 | 0 | 0 | 0 | 111.7 | L143 L145 P150 T151 | L143-I147 WeakPolarHBondContact O-CG1 3.44Å; L143-I147 PolarHBondContact O-N 2.9Å; L145-I147 PolarHBondContact O-N 3.32Å; I147-P150 WeakPolarHBondContact O-CD 3.3Å; I147-P150 WeakPolarHBondContact O-CG 3.29Å; I147-T151 WeakPolarHBondContact O-CG2 3.45Å |
| 148 | G | 93.5 | Very high | 92.5 | Very high | 14 Ų | 14 | 75.8 Ų | 75.8 | 14% | 0.144 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -71.7 | -47 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | F144 T151 | F144-G148 WeakPolarHBondContact O-CA 3.43Å; F144-G148 PolarHBondContact O-N 3.35Å; G148-T151 PolarHBondContact O-N 3.36Å; G148-T151 VanDerWaalsContact O-N 3.11Å; G148-T151 PolarHBondContact O-OG1 3.39Å |
| 149 | L | 94.5 | Very high | 92.2 | Very high | 16 Ų | 16 | 70.3 Ų | 70.3 | 8% | 0.084 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -56.8 | -48.5 | -178.3 | -63.6 | 175.5 | 0 | 0 | 0 | 113.8 | V117 G120 A121 V124 M137 L145 T151 I152 P153 | V117-L149 HydrophobicContact CG1-CB 4.4Å; V117-L149 HydrophobicContact CG1-CD1 4.09Å; G120-L149 WeakPolarHBondContact CA-O 3.49Å; A121-L149 HydrophobicContact CB-CD1 4.27Å; V124-L149 HydrophobicContact CG2-CD2 4.13Å; M137-L149 HydrophobicContact CE-CD1 4.26Å; L145-L149 HydrophobicContact CB-CD1 4.32Å; L145-L149 HydrophobicContact CD2-CD1 4.37Å; L145-L149 HydrophobicContact CD2-CG 4.47Å; L145-L149 WeakPolarHBondContact O-CB 3.37Å; L145-L149 VanDerWaalsContact O-CG 3.23Å; L145-L149 WeakPolarHBondContact O-CG 3.37Å; L145-L149 PolarHBondContact O-N 2.97Å; L149-T151 VanDerWaalsContact C-N 3.25Å; L149-T151 PolarHBondContact O-N 3.27Å; L149-I152 HydrophobicContact CD2-CD1 4.37Å; L149-I152 WeakPolarHBondContact O-CB 3.36Å; L149-I152 PolarHBondContact O-N 3.35Å; L149-P153 VanDerWaalsContact O-CD 3.3Å; L149-P153 WeakPolarHBondContact O-CD 3.22Å |
| 150 | P | 95.1 | Very high | 91.9 | Very high | 17 Ų | 17 | 64.2 Ų | 64.2 | 11% | 0.11 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -71.3 | -17.9 | 179.3 | 27.9 | -34.1 | 0 | 0 | 0 | 113.3 | Y113 A116 V117 L146 I147 I152 P153 V154 | Y113-P150 HydrophobicContact CD2-CB 4.45Å; Y113-P150 HydrophobicContact CD2-CG 4.42Å; Y113-P150 HydrophobicContact CE2-CB 4.3Å; Y113-P150 HydrophobicContact CE2-CG 3.8Å; A116-P150 HydrophobicContact CB-CB 3.7Å; V117-P150 HydrophobicContact CG2-CB 4.17Å; V117-P150 HydrophobicContact CG2-CG 4.06Å; L146-P150 WeakPolarHBondContact O-CD 3.2Å; L146-P150 VanDerWaalsContact O-CG 3.23Å; L146-P150 WeakPolarHBondContact O-CG 3.49Å; I147-P150 WeakPolarHBondContact O-CD 3.3Å; I147-P150 WeakPolarHBondContact O-CG 3.29Å; P150-I152 VanDerWaalsContact C-N 3.3Å; P150-I152 PolarHBondContact O-N 3.22Å; P150-P153 WeakPolarHBondContact O-CD 3.44Å; P150-P153 WeakPolarHBondContact O-CG 3.3Å; P150-V154 WeakPolarHBondContact O-CG2 3.45Å |
| 151 | T | 93.8 | Very high | 91.4 | Very high | 60 Ų | 60 | 68.5 Ų | 68.5 | 37% | 0.368 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -71.1 | -26.1 | 174 | 66.9 | 0 | 0 | 0 | 0 | 112.6 | I147 G148 L149 V154 M155 | I147-T151 WeakPolarHBondContact O-CG2 3.45Å; G148-T151 PolarHBondContact O-N 3.36Å; G148-T151 VanDerWaalsContact O-N 3.11Å; G148-T151 PolarHBondContact O-OG1 3.39Å; L149-T151 VanDerWaalsContact C-N 3.25Å; L149-T151 PolarHBondContact O-N 3.27Å; T151-V154 WeakPolarHBondContact O-CB 3.44Å; T151-V154 PolarHBondContact O-N 2.9Å; T151-M155 WeakPolarHBondContact O-CB 3.34Å; T151-M155 VanDerWaalsContact O-CG 3.28Å; T151-M155 WeakPolarHBondContact O-CG 3.39Å; T151-M155 PolarHBondContact O-N 3.42Å |
| 152 | I | 95 | Very high | 90.8 | Very high | 44 Ų | 44 | 69.5 Ų | 69.5 | 23% | 0.226 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -57.2 | -57.2 | 179.4 | -61.4 | 171.4 | 0 | 0 | 0 | 112 | T123 V124 L149 P150 V154 M155 L156 | T123-I152 HydrophobicContact CG2-CG2 3.79Å; V124-I152 HydrophobicContact CG2-CD1 3.7Å; L149-I152 HydrophobicContact CD2-CD1 4.37Å; L149-I152 WeakPolarHBondContact O-CB 3.36Å; L149-I152 PolarHBondContact O-N 3.35Å; P150-I152 VanDerWaalsContact C-N 3.3Å; P150-I152 PolarHBondContact O-N 3.22Å; I152-V154 VanDerWaalsContact C-N 3.27Å; I152-V154 PolarHBondContact O-N 3.11Å; I152-M155 PolarHBondContact O-N 3.22Å; I152-L156 HydrophobicContact CG2-CD1 4.15Å; I152-L156 WeakPolarHBondContact O-CG 3.44Å; I152-L156 PolarHBondContact O-N 2.88Å |
| 153 | P | 93.8 | Very high | 90.1 | Very high | 9 Ų | 9 | 73.2 Ų | 73.2 | 6% | 0.058 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61 | -35.8 | 176.7 | 18.9 | -28.7 | 0 | 0 | 0 | 112.8 | A116 Y119 L149 P150 L156 I157 L217 | A116-P153 HydrophobicContact CB-CG 3.93Å; Y119-P153 HydrophobicContact CD1-CB 3.57Å; Y119-P153 HydrophobicContact CD1-CG 3.86Å; Y119-P153 HydrophobicContact CE1-CB 3.92Å; L149-P153 VanDerWaalsContact O-CD 3.3Å; L149-P153 WeakPolarHBondContact O-CD 3.22Å; P150-P153 WeakPolarHBondContact O-CD 3.44Å; P150-P153 WeakPolarHBondContact O-CG 3.3Å; P153-L156 PolarHBondContact O-N 2.96Å; P153-I157 WeakPolarHBondContact O-CB 3.42Å; P153-I157 WeakPolarHBondContact O-CD1 3.31Å; P153-I157 WeakPolarHBondContact O-CG1 3.43Å; P153-I157 PolarHBondContact O-N 3.37Å; P153-L217 HydrophobicContact CB-CD2 4.16Å |
| 154 | V | 92.8 | Very high | 89.7 | Confident | 74 Ų | 74 | 72.4 Ų | 72.4 | 45% | 0.448 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.7 | -47.4 | 176.7 | 175.7 | 0 | 0 | 0 | 0 | 110.5 | P150 T151 I152 L156 I157 L158 | P150-V154 WeakPolarHBondContact O-CG2 3.45Å; T151-V154 WeakPolarHBondContact O-CB 3.44Å; T151-V154 PolarHBondContact O-N 2.9Å; I152-V154 VanDerWaalsContact C-N 3.27Å; I152-V154 PolarHBondContact O-N 3.11Å; V154-L156 PolarHBondContact O-N 2.96Å; V154-I157 PolarHBondContact O-N 3Å; V154-L158 HydrophobicContact CG1-CD1 3.87Å; V154-L158 HydrophobicContact CG1-CG 4.28Å; V154-L158 WeakPolarHBondContact O-CB 3.15Å; V154-L158 VanDerWaalsContact O-CG 3.31Å; V154-L158 WeakPolarHBondContact O-CG 3.41Å; V154-L158 PolarHBondContact O-N 3.45Å |
| 155 | M | 92.1 | Very high | 89.2 | Confident | 117 Ų | 117 | 66.5 Ų | 66.5 | 58% | 0.576 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -65.6 | -37.2 | 178.2 | -67.6 | -59 | 156.3 | 0 | 0 | 112.3 | T151 I152 L158 G159 | T151-M155 WeakPolarHBondContact O-CB 3.34Å; T151-M155 VanDerWaalsContact O-CG 3.28Å; T151-M155 WeakPolarHBondContact O-CG 3.39Å; T151-M155 PolarHBondContact O-N 3.42Å; I152-M155 PolarHBondContact O-N 3.22Å; M155-L158 HydrophobicContact SD-CD1 4.3Å; M155-G159 PolarHBondContact O-N 2.96Å |
| 156 | L | 92.3 | Very high | 88.7 | Confident | 37 Ų | 37 | 66 Ų | 66 | 19% | 0.194 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 173.7 | -71.3 | 171.8 | 0 | 0 | 0 | 111.9 | Y119 I152 P153 V154 K160 A216 F219 P220 | Y119-L156 HydrophobicContact CE1-CD1 3.92Å; I152-L156 HydrophobicContact CG2-CD1 4.15Å; I152-L156 WeakPolarHBondContact O-CG 3.44Å; I152-L156 PolarHBondContact O-N 2.88Å; P153-L156 PolarHBondContact O-N 2.96Å; V154-L156 PolarHBondContact O-N 2.96Å; L156-K160 WeakPolarHBondContact O-CB 2.92Å; L156-K160 PolarHBondContact O-N 2.9Å; L156-K160 VanDerWaalsContact O-N 3.13Å; L156-A216 HydrophobicContact CB-CB 4.32Å; L156-F219 HydrophobicContact CD2-CD1 3.78Å; L156-F219 HydrophobicContact CD2-CE1 4.43Å; L156-P220 HydrophobicContact CD1-CG 3.62Å; L156-P220 HydrophobicContact CD2-CG 4.42Å |
| 157 | I | 91.6 | Very high | 88.1 | Confident | 45 Ų | 45 | 68.5 Ų | 68.5 | 23% | 0.231 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67 | -50 | 177.6 | -67.6 | 164.2 | 0 | 0 | 0 | 110.2 | P153 V154 G159 K160 M161 I212 L213 A216 | P153-I157 WeakPolarHBondContact O-CB 3.42Å; P153-I157 WeakPolarHBondContact O-CD1 3.31Å; P153-I157 WeakPolarHBondContact O-CG1 3.43Å; P153-I157 PolarHBondContact O-N 3.37Å; V154-I157 PolarHBondContact O-N 3Å; I157-G159 VanDerWaalsContact C-N 3.35Å; I157-G159 PolarHBondContact O-N 2.91Å; I157-K160 PolarHBondContact O-N 2.91Å; I157-M161 WeakPolarHBondContact O-CG 3.43Å; I157-M161 PolarHBondContact O-N 3.36Å; I157-I212 HydrophobicContact CG2-CG2 4.37Å; I157-L213 HydrophobicContact CD1-CD2 3.78Å; I157-L213 HydrophobicContact CD1-CG 4.26Å; I157-L213 HydrophobicContact CG1-CD2 4.47Å; I157-A216 HydrophobicContact CG1-CB 3.94Å |
| 158 | L | 88.4 | Confident | 87.6 | Confident | 86 Ų | 86 | 65.2 Ų | 65.2 | 45% | 0.45 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.6 | -44.7 | 177.9 | -72 | 175.6 | 0 | 0 | 0 | 111.7 | V154 M155 K160 M161 I162 | V154-L158 HydrophobicContact CG1-CD1 3.87Å; V154-L158 HydrophobicContact CG1-CG 4.28Å; V154-L158 WeakPolarHBondContact O-CB 3.15Å; V154-L158 VanDerWaalsContact O-CG 3.31Å; V154-L158 WeakPolarHBondContact O-CG 3.41Å; V154-L158 PolarHBondContact O-N 3.45Å; M155-L158 HydrophobicContact SD-CD1 4.3Å; L158-K160 PolarHBondContact O-N 3.35Å; L158-M161 HydrophobicContact CD2-SD 4.24Å; L158-M161 WeakPolarHBondContact O-CB 3.32Å; L158-M161 PolarHBondContact O-N 3.28Å; L158-M161 VanDerWaalsContact O-N 3.09Å; L158-I162 PolarHBondContact O-N 2.86Å |
| 159 | G | 86.4 | Confident | 86.8 | Confident | 43 Ų | 43 | 64.9 Ų | 64.9 | 44% | 0.443 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.8 | -35.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | M155 I157 I162 | M155-G159 PolarHBondContact O-N 2.96Å; I157-G159 VanDerWaalsContact C-N 3.35Å; I157-G159 PolarHBondContact O-N 2.91Å; G159-I162 WeakPolarHBondContact O-CB 3.34Å; G159-I162 PolarHBondContact O-N 2.99Å |
| 160 | K | 85.9 | Confident | 86 | Confident | 61 Ų | 61 | 72.1 Ų | 72.1 | 27% | 0.265 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -78.3 | -19.2 | 178.4 | -152.9 | -95.6 | -166.3 | 71.9 | 0 | 113 | L156 I157 L158 I162 R211 I212 A216 | L156-K160 WeakPolarHBondContact O-CB 2.92Å; L156-K160 PolarHBondContact O-N 2.9Å; L156-K160 VanDerWaalsContact O-N 3.13Å; I157-K160 PolarHBondContact O-N 2.91Å; L158-K160 PolarHBondContact O-N 3.35Å; K160-I162 VanDerWaalsContact C-N 3.26Å; K160-R211 PolarHBondContact NZ-O 2.61Å; K160-I212 HydrophobicContact CD-CB 4.03Å; K160-I212 HydrophobicContact CD-CG1 4.01Å; K160-I212 HydrophobicContact CD-CG2 3.87Å; K160-I212 PolarHBondContact NZ-O 3.41Å; K160-A216 HydrophobicContact CB-CB 4.16Å; K160-A216 HydrophobicContact CG-CB 4.43Å |
| 161 | M | 81.9 | Confident | 85.3 | Confident | 116 Ų | 116 | 74.4 Ų | 74.4 | 57% | 0.571 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -70.8 | -21.6 | 169.6 | -67.4 | 179.5 | 70.4 | 0 | 0 | 112.4 | I157 L158 R163 I212 | I157-M161 WeakPolarHBondContact O-CG 3.43Å; I157-M161 PolarHBondContact O-N 3.36Å; L158-M161 HydrophobicContact CD2-SD 4.24Å; L158-M161 WeakPolarHBondContact O-CB 3.32Å; L158-M161 PolarHBondContact O-N 3.28Å; L158-M161 VanDerWaalsContact O-N 3.09Å; M161-R163 PolarHBondContact O-N 2.95Å; M161-R163 VanDerWaalsContact O-N 3.1Å; M161-I212 HydrophobicContact CG-CG2 4.26Å |
| 162 | I | 81.4 | Confident | 84.5 | Confident | 116 Ų | 116 | 75.5 Ų | 75.5 | 60% | 0.595 | 36% | 0.358 | S | S | * | . | trans | -73.7 | 103.9 | 176.7 | -55.5 | 174.4 | 0 | 0 | 0 | 109.7 | L158 G159 K160 W164 | L158-I162 PolarHBondContact O-N 2.86Å; G159-I162 WeakPolarHBondContact O-CB 3.34Å; G159-I162 PolarHBondContact O-N 2.99Å; K160-I162 VanDerWaalsContact C-N 3.26Å; I162-W164 HydrophobicContact CG2-CB 4.46Å; I162-W164 PolarHBondContact O-N 2.82Å | ||
| 163 | R | 77.8 | Confident | 83.5 | Confident | 177 Ų | 177 | 78 Ų | 78 | 67% | 0.668 | 36% | 0.364 | S | S | * | . | trans | -79.4 | 57.6 | 178 | -63.8 | 179.2 | 61.2 | 169.7 | -4.1 | 112.3 | M161 E165 D166 | M161-R163 PolarHBondContact O-N 2.95Å; M161-R163 VanDerWaalsContact O-N 3.1Å; R163-E165 PolarHBondContact O-N 3.16Å; R163-E165 VanDerWaalsContact O-N 3.14Å; R163-D166 IonicContact CZ-OD2 3.48Å; R163-D166 IonicContact NE-OD2 3.01Å; R163-D166 PolarHBondContact NE-OD2 3.4Å; R163-D166 IonicContact NH2-OD1 2.69Å; R163-D166 IonicContact NH2-OD2 3.05Å; R163-D166 PolarHBondContact NH2-OD2 3.35Å; R163-D166 PolarHBondContact O-N 3.46Å | ||
| 164 | W | 80.9 | Confident | 82.6 | Confident | 97 Ų | 97 | 85.4 Ų | 85.4 | 37% | 0.367 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -56.3 | -31.8 | -177.8 | 73.2 | -85.8 | 0 | 0 | 0 | 113.1 | I162 D166 Y167 V168 V249 | I162-W164 HydrophobicContact CG2-CB 4.46Å; I162-W164 PolarHBondContact O-N 2.82Å; W164-D166 VanDerWaalsContact C-N 3.25Å; W164-D166 PolarHBondContact O-N 2.93Å; W164-Y167 WeakPolarHBondContact O-CB 3.21Å; W164-Y167 PolarHBondContact O-N 3.03Å; W164-Y167 VanDerWaalsContact O-N 3.08Å; W164-V168 HydrophobicContact CE3-CB 4.47Å; W164-V168 HydrophobicContact CE3-CG2 3.55Å; W164-V168 HydrophobicContact CZ3-CG2 3.77Å; W164-V168 PolarHBondContact O-N 2.85Å; W164-V249 HydrophobicContact CZ2-CG1 3.76Å |
| 165 | E | 79.3 | Confident | 81.7 | Confident | 19 Ų | 19 | 88.2 Ų | 88.2 | 9% | 0.089 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -55.6 | -38 | 176.1 | -59 | 165.7 | -168.4 | 0 | 0 | 112.8 | R163 V168 L169 K256 V257 K260 | R163-E165 PolarHBondContact O-N 3.16Å; R163-E165 VanDerWaalsContact O-N 3.14Å; E165-V168 PolarHBondContact O-N 2.84Å; E165-L169 WeakPolarHBondContact O-CB 3.48Å; E165-L169 WeakPolarHBondContact O-CG 3.34Å; E165-L169 PolarHBondContact O-N 3.34Å; E165-K256 WeakPolarHBondContact OE1-CD 3.23Å; E165-K256 IonicContact OE1-NZ 2.78Å; E165-K256 PolarHBondContact OE1-NZ 3.21Å; E165-K256 WeakPolarHBondContact OE2-CD 3.36Å; E165-K256 WeakPolarHBondContact OE2-CE 3.25Å; E165-K256 WeakPolarHBondContact OE2-CG 3.42Å; E165-K256 IonicContact OE2-NZ 2.74Å; E165-K256 PolarHBondContact OE2-NZ 2.97Å; E165-V257 HydrophobicContact CB-CG2 4.35Å; E165-K260 IonicContact OE2-NZ 2.91Å; E165-K260 PolarHBondContact OE2-NZ 2.77Å |
| 166 | D | 79.8 | Confident | 80.4 | Confident | 32 Ų | 32 | 83.4 Ų | 83.4 | 17% | 0.171 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -76.4 | -29.7 | -179.8 | -63.2 | -43.1 | 0 | 0 | 0 | 111.3 | R163 W164 R170 K260 | R163-D166 IonicContact CZ-OD2 3.48Å; R163-D166 IonicContact NE-OD2 3.01Å; R163-D166 PolarHBondContact NE-OD2 3.4Å; R163-D166 IonicContact NH2-OD1 2.69Å; R163-D166 IonicContact NH2-OD2 3.05Å; R163-D166 PolarHBondContact NH2-OD2 3.35Å; R163-D166 PolarHBondContact O-N 3.46Å; W164-D166 VanDerWaalsContact C-N 3.25Å; W164-D166 PolarHBondContact O-N 2.93Å; D166-R170 WeakPolarHBondContact O-CB 3.3Å; D166-R170 VanDerWaalsContact O-CG 3.31Å; D166-R170 WeakPolarHBondContact O-CG 3.41Å; D166-R170 PolarHBondContact O-N 3.02Å; D166-R170 VanDerWaalsContact O-N 3.09Å; D166-R170 PolarHBondContact O-NE 2.82Å; D166-K260 IonicContact OD1-NZ 3.07Å; D166-K260 PolarHBondContact OD1-NZ 3.1Å; D166-K260 IonicContact OD2-NZ 3.62Å |
| 167 | Y | 81.1 | Confident | 78.8 | Confident | 144 Ų | 144 | 88.8 Ų | 88.8 | 57% | 0.565 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -66.4 | -46.6 | 169.6 | -177.6 | -106.6 | 0 | 0 | 0 | 110.9 | W164 L169 R170 L171 | W164-Y167 WeakPolarHBondContact O-CB 3.21Å; W164-Y167 PolarHBondContact O-N 3.03Å; W164-Y167 VanDerWaalsContact O-N 3.08Å; Y167-L169 PolarHBondContact O-N 2.96Å; Y167-R170 PolarHBondContact O-N 3.31Å; Y167-L171 HydrophobicContact CD1-CD1 3.55Å; Y167-L171 HydrophobicContact CE1-CD1 3.11Å; Y167-L171 HydrophobicContact CE1-CG 4.3Å; Y167-L171 HydrophobicContact CE2-CD1 4.22Å; Y167-L171 HydrophobicContact CG-CD1 4.27Å; Y167-L171 VanDerWaalsContact CZ-CD1 3.48Å; Y167-L171 PolarHBondContact O-N 3.1Å |
| 168 | V | 82.3 | Confident | 77.3 | Confident | 45 Ų | 45 | 95.2 Ų | 95.2 | 27% | 0.273 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 175.5 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | W164 E165 R170 L171 W172 V257 | W164-V168 HydrophobicContact CE3-CB 4.47Å; W164-V168 HydrophobicContact CE3-CG2 3.55Å; W164-V168 HydrophobicContact CZ3-CG2 3.77Å; W164-V168 PolarHBondContact O-N 2.85Å; E165-V168 PolarHBondContact O-N 2.84Å; V168-R170 VanDerWaalsContact C-N 3.34Å; V168-R170 PolarHBondContact O-N 2.91Å; V168-L171 PolarHBondContact O-N 3.39Å; V168-W172 WeakPolarHBondContact O-CB 3.17Å; V168-W172 PolarHBondContact O-N 3.15Å; V168-V257 HydrophobicContact CG1-CG2 4.49Å |
| 169 | L | 75.9 | Confident | 75.9 | Confident | 7 Ų | 7 | 94.8 Ų | 94.8 | 4% | 0.037 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -61.3 | -40.4 | 175.6 | -82 | 164.5 | 0 | 0 | 0 | 112.7 | E165 Y167 W172 R173 V257 K260 | E165-L169 WeakPolarHBondContact O-CB 3.48Å; E165-L169 WeakPolarHBondContact O-CG 3.34Å; E165-L169 PolarHBondContact O-N 3.34Å; Y167-L169 PolarHBondContact O-N 2.96Å; L169-W172 PolarHBondContact O-N 3.43Å; L169-R173 WeakPolarHBondContact O-CB 3.42Å; L169-R173 VanDerWaalsContact O-CG 3.29Å; L169-R173 WeakPolarHBondContact O-CG 3.49Å; L169-R173 PolarHBondContact O-N 2.82Å; L169-V257 HydrophobicContact CD2-CB 4.37Å; L169-V257 HydrophobicContact CD2-CG1 3.68Å; L169-V257 HydrophobicContact CG-CB 4.48Å; L169-V257 HydrophobicContact CG-CG1 4.09Å; L169-V257 HydrophobicContact CG-CG2 4.2Å; L169-K260 HydrophobicContact CD1-CB 3.94Å; L169-K260 HydrophobicContact CD1-CD 3.41Å; L169-K260 VanDerWaalsContact CD1-CD 3.41Å; L169-K260 HydrophobicContact CD1-CG 4.34Å |
| 170 | R | 79.1 | Confident | 74.5 | Confident | 169 Ų | 169 | 101.4 Ų | 101.4 | 64% | 0.638 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -65.7 | -46 | 176.8 | -77.3 | -176.8 | -73.2 | -165.6 | 2.2 | 111.8 | D166 Y167 V168 R173 K174 | D166-R170 WeakPolarHBondContact O-CB 3.3Å; D166-R170 VanDerWaalsContact O-CG 3.31Å; D166-R170 WeakPolarHBondContact O-CG 3.41Å; D166-R170 PolarHBondContact O-N 3.02Å; D166-R170 VanDerWaalsContact O-N 3.09Å; D166-R170 PolarHBondContact O-NE 2.82Å; Y167-R170 PolarHBondContact O-N 3.31Å; V168-R170 VanDerWaalsContact C-N 3.34Å; V168-R170 PolarHBondContact O-N 2.91Å; R170-R173 PolarHBondContact O-N 3.47Å; R170-K174 PolarHBondContact O-N 3.24Å; R170-K174 VanDerWaalsContact O-N 3.11Å |
| 171 | L | 80 | Confident | 73.2 | Confident | 65 Ų | 65 | 104.5 Ų | 104.5 | 34% | 0.34 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.1 | -49.2 | 173.4 | -86 | 158.6 | 0 | 0 | 0 | 111.3 | Y167 V168 R173 K174 Y175 | Y167-L171 HydrophobicContact CD1-CD1 3.55Å; Y167-L171 HydrophobicContact CE1-CD1 3.11Å; Y167-L171 HydrophobicContact CE1-CG 4.3Å; Y167-L171 HydrophobicContact CE2-CD1 4.22Å; Y167-L171 HydrophobicContact CG-CD1 4.27Å; Y167-L171 VanDerWaalsContact CZ-CD1 3.48Å; Y167-L171 PolarHBondContact O-N 3.1Å; V168-L171 PolarHBondContact O-N 3.39Å; L171-R173 VanDerWaalsContact C-N 3.34Å; L171-R173 PolarHBondContact O-N 3.35Å; L171-K174 WeakPolarHBondContact O-CB 3.46Å; L171-K174 PolarHBondContact O-N 2.93Å; L171-K174 VanDerWaalsContact O-N 3.1Å; L171-Y175 HydrophobicContact CD2-CD2 4.36Å; L171-Y175 HydrophobicContact CD2-CE2 3.97Å; L171-Y175 WeakPolarHBondContact O-CD2 3.43Å; L171-Y175 PolarHBondContact O-N 3.18Å |
| 172 | W | 76.2 | Confident | 72 | Confident | 83 Ų | 83 | 102 Ų | 102 | 31% | 0.314 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -54.2 | -51 | 179 | -173.8 | -69 | 0 | 0 | 0 | 110.6 | V168 L169 K174 Y175 S176 F182 | V168-W172 WeakPolarHBondContact O-CB 3.17Å; V168-W172 PolarHBondContact O-N 3.15Å; L169-W172 PolarHBondContact O-N 3.43Å; W172-K174 VanDerWaalsContact C-N 3.32Å; W172-K174 PolarHBondContact O-N 3.26Å; W172-Y175 PolarHBondContact O-N 3.43Å; W172-S176 WeakPolarHBondContact O-CA 3.38Å; W172-S176 WeakPolarHBondContact O-CB 3.5Å; W172-S176 PolarHBondContact O-N 3.45Å; W172-F182 AromaticContact CH2-CD1 3.98Å; W172-F182 HydrophobicContact CH2-CD1 3.98Å; W172-F182 AromaticContact CH2-CE1 3.54Å; W172-F182 HydrophobicContact CH2-CE1 3.54Å; W172-F182 HydrophobicContact CH2-CZ 4.07Å; W172-F182 AromaticContact CZ2-CD1 3.79Å; W172-F182 HydrophobicContact CZ2-CD1 3.79Å; W172-F182 AromaticContact CZ2-CE1 3.84Å; W172-F182 HydrophobicContact CZ2-CE1 3.84Å; W172-F182 HydrophobicContact CZ2-CG 4.34Å; W172-F182 HydrophobicContact CZ2-CZ 4.43Å |
| 173 | R | 73.6 | Confident | 70.9 | Confident | 95 Ų | 95 | 100.2 Ų | 100.2 | 36% | 0.358 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.9 | -37.4 | 178.7 | -71.4 | 173.8 | -171.2 | 165.7 | 2.7 | 112.9 | L169 R170 L171 Y175 | L169-R173 WeakPolarHBondContact O-CB 3.42Å; L169-R173 VanDerWaalsContact O-CG 3.29Å; L169-R173 WeakPolarHBondContact O-CG 3.49Å; L169-R173 PolarHBondContact O-N 2.82Å; R170-R173 PolarHBondContact O-N 3.47Å; L171-R173 VanDerWaalsContact C-N 3.34Å; L171-R173 PolarHBondContact O-N 3.35Å; R173-Y175 VanDerWaalsContact C-N 3.34Å; R173-Y175 PolarHBondContact O-N 2.91Å |
| 174 | K | 74.9 | Confident | 69.9 | Low | 166 Ų | 166 | 97 Ų | 97 | 72% | 0.722 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -64.5 | -38.3 | 177.6 | -167.7 | -179.7 | -177.5 | -178 | 0 | 112.3 | R170 L171 W172 | R170-K174 PolarHBondContact O-N 3.24Å; R170-K174 VanDerWaalsContact O-N 3.11Å; L171-K174 WeakPolarHBondContact O-CB 3.46Å; L171-K174 PolarHBondContact O-N 2.93Å; L171-K174 VanDerWaalsContact O-N 3.1Å; W172-K174 VanDerWaalsContact C-N 3.32Å; W172-K174 PolarHBondContact O-N 3.26Å |
| 175 | Y | 74 | Confident | 69.1 | Low | 133 Ų | 133 | 97.7 Ų | 97.7 | 52% | 0.522 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -94.4 | -21.2 | -177.6 | -76 | -84.7 | 0 | 0 | 0 | 114.1 | L171 W172 R173 N177 K178 | L171-Y175 HydrophobicContact CD2-CD2 4.36Å; L171-Y175 HydrophobicContact CD2-CE2 3.97Å; L171-Y175 WeakPolarHBondContact O-CD2 3.43Å; L171-Y175 PolarHBondContact O-N 3.18Å; W172-Y175 PolarHBondContact O-N 3.43Å; R173-Y175 VanDerWaalsContact C-N 3.34Å; R173-Y175 PolarHBondContact O-N 2.91Å; Y175-N177 VanDerWaalsContact C-N 3.32Å; Y175-N177 PolarHBondContact O-N 2.93Å; Y175-K178 WeakPolarHBondContact O-CB 3.44Å; Y175-K178 PolarHBondContact O-N 3.01Å |
| 176 | S | 65.6 | Low | 68.1 | Low | 16 Ų | 16 | 99.9 Ų | 99.9 | 11% | 0.112 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -61.1 | -36.6 | -177.6 | -172.9 | 0 | 0 | 0 | 0 | 112.6 | W172 K178 L179 | W172-S176 WeakPolarHBondContact O-CA 3.38Å; W172-S176 WeakPolarHBondContact O-CB 3.5Å; W172-S176 PolarHBondContact O-N 3.45Å; S176-K178 PolarHBondContact O-N 3Å; S176-K178 VanDerWaalsContact O-N 3.08Å; S176-L179 PolarHBondContact O-N 3.38Å |
| 177 | N | 58.1 | Low | 66.8 | Low | 150 Ų | 150 | 104.1 Ų | 104.1 | 80% | 0.802 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -15 | 175.3 | -76.3 | -1.4 | 0 | 0 | 0 | 113.2 | Y175 | Y175-N177 VanDerWaalsContact C-N 3.32Å; Y175-N177 PolarHBondContact O-N 2.93Å |
| 178 | K | 61.6 | Low | 65.6 | Low | 180 Ų | 180 | 98.7 Ų | 98.7 | 78% | 0.783 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | -14.1 | -178.1 | -149.4 | -179.5 | -177.2 | -173.5 | 0 | 113.5 | Y175 S176 | Y175-K178 WeakPolarHBondContact O-CB 3.44Å; Y175-K178 PolarHBondContact O-N 3.01Å; S176-K178 PolarHBondContact O-N 3Å; S176-K178 VanDerWaalsContact O-N 3.08Å |
| 179 | L | 58.3 | Low | 64.2 | Low | 76 Ų | 76 | 97.5 Ų | 97.5 | 40% | 0.398 | 48% | 0.478 | S | S | . | . | trans | -116.5 | 90.5 | -177 | -85.3 | 132.1 | 0 | 0 | 0 | 111 | S176 I181 F182 | S176-L179 PolarHBondContact O-N 3.38Å; L179-I181 HydrophobicContact CD2-CD1 4.36Å; L179-I181 PolarHBondContact O-N 2.87Å; L179-I181 VanDerWaalsContact O-N 3.16Å; L179-F182 HydrophobicContact CB-CD2 3.93Å; L179-F182 HydrophobicContact CB-CE2 4.45Å; L179-F182 HydrophobicContact CD2-CE2 4.41Å; L179-F182 PolarHBondContact O-N 2.88Å | ||
| 180 | Q | 56.5 | Low | 63.1 | Low | 183 Ų | 183 | 99.4 Ų | 99.4 | 86% | 0.855 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -20.8 | 173.2 | -75.3 | -175 | -41.8 | 0 | 0 | 113.7 | F182 N183 | Q180-F182 VanDerWaalsContact C-N 3.27Å; Q180-F182 PolarHBondContact O-N 3.49Å; Q180-N183 VanDerWaalsContact O-CB 3.29Å; Q180-N183 WeakPolarHBondContact O-CB 3.33Å; Q180-N183 PolarHBondContact O-N 3.46Å; Q180-N183 VanDerWaalsContact O-N 3.13Å |
| 181 | I | 58.1 | Low | 61.9 | Low | 125 Ų | 125 | 94.7 Ų | 94.7 | 64% | 0.641 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -33.5 | -178.6 | -61.4 | 167.7 | 0 | 0 | 0 | 112.1 | L179 N183 S184 | L179-I181 HydrophobicContact CD2-CD1 4.36Å; L179-I181 PolarHBondContact O-N 2.87Å; L179-I181 VanDerWaalsContact O-N 3.16Å; I181-N183 PolarHBondContact O-N 2.94Å; I181-S184 PolarHBondContact O-N 3.48Å |
| 182 | F | 58.7 | Low | 60.8 | Low | 63 Ų | 63 | 97.2 Ų | 97.2 | 28% | 0.276 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.3 | -17.6 | 179.8 | -81.3 | -78.8 | 0 | 0 | 0 | 113.8 | W172 L179 Q180 S184 I185 F186 | W172-F182 AromaticContact CH2-CD1 3.98Å; W172-F182 HydrophobicContact CH2-CD1 3.98Å; W172-F182 AromaticContact CH2-CE1 3.54Å; W172-F182 HydrophobicContact CH2-CE1 3.54Å; W172-F182 HydrophobicContact CH2-CZ 4.07Å; W172-F182 AromaticContact CZ2-CD1 3.79Å; W172-F182 HydrophobicContact CZ2-CD1 3.79Å; W172-F182 AromaticContact CZ2-CE1 3.84Å; W172-F182 HydrophobicContact CZ2-CE1 3.84Å; W172-F182 HydrophobicContact CZ2-CG 4.34Å; W172-F182 HydrophobicContact CZ2-CZ 4.43Å; L179-F182 HydrophobicContact CB-CD2 3.93Å; L179-F182 HydrophobicContact CB-CE2 4.45Å; L179-F182 HydrophobicContact CD2-CE2 4.41Å; L179-F182 PolarHBondContact O-N 2.88Å; Q180-F182 VanDerWaalsContact C-N 3.27Å; Q180-F182 PolarHBondContact O-N 3.49Å; F182-S184 PolarHBondContact O-N 3.27Å; F182-I185 PolarHBondContact O-N 3.34Å; F182-F186 PolarHBondContact O-N 2.89Å |
| 183 | N | 57.7 | Low | 60.1 | Low | 80 Ų | 80 | 95.8 Ų | 95.8 | 43% | 0.428 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70.2 | -21.2 | 178.6 | -149.9 | 36.2 | 0 | 0 | 0 | 112.2 | Q180 I181 G190 | Q180-N183 VanDerWaalsContact O-CB 3.29Å; Q180-N183 WeakPolarHBondContact O-CB 3.33Å; Q180-N183 PolarHBondContact O-N 3.46Å; Q180-N183 VanDerWaalsContact O-N 3.13Å; I181-N183 PolarHBondContact O-N 2.94Å; N183-G190 PolarHBondContact OD1-N 3.38Å |
| 184 | S | 57.3 | Low | 59.4 | Low | 110 Ų | 110 | 96.1 Ų | 96.1 | 77% | 0.769 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -83 | -27.8 | 177.2 | -175.1 | 0 | 0 | 0 | 0 | 113.7 | I181 F182 | I181-S184 PolarHBondContact O-N 3.48Å; F182-S184 PolarHBondContact O-N 3.27Å |
| 185 | I | 62.3 | Low | 58.7 | Low | 111 Ų | 111 | 96.7 Ų | 96.7 | 57% | 0.569 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -88.5 | -27.8 | -179 | -59.2 | 177.9 | 0 | 0 | 0 | 110.2 | F182 | F182-I185 PolarHBondContact O-N 3.34Å |
| 186 | F | 60.2 | Low | 58.4 | Low | 64 Ų | 64 | 97.1 Ų | 97.1 | 28% | 0.281 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -137.5 | 105.4 | -178.9 | -62.2 | -72.8 | 0 | 0 | 0 | 110.7 | F182 G188 I189 Y258 | F182-F186 PolarHBondContact O-N 2.89Å; F186-G188 PolarHBondContact O-N 3.34Å; F186-I189 HydrophobicContact CB-CB 4.44Å; F186-I189 HydrophobicContact CB-CD1 3.17Å; F186-I189 HydrophobicContact CB-CG1 3.59Å; F186-I189 HydrophobicContact CD2-CD1 4Å; F186-I189 HydrophobicContact CG-CD1 3.71Å; F186-I189 PolarHBondContact O-N 3.01Å; F186-Y258 HydrophobicContact CD1-CD2 4.13Å; F186-Y258 AromaticContact CD1-CE2 3.49Å; F186-Y258 HydrophobicContact CD1-CE2 3.49Å; F186-Y258 VanDerWaalsContact CD1-CE2 3.49Å; F186-Y258 AromaticContact CE1-CD2 3.86Å; F186-Y258 HydrophobicContact CE1-CD2 3.86Å; F186-Y258 AromaticContact CE1-CE2 3.52Å; F186-Y258 HydrophobicContact CE1-CE2 3.52Å; F186-Y258 HydrophobicContact CG-CE2 4.48Å |
| 187 | P | 51.7 | Low | 58.4 | Low | 121 Ų | 121 | 97.7 Ų | 97.7 | 79% | 0.786 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 126.6 | -179 | -18.1 | 28.8 | 0 | 0 | 0 | 111.3 | ||
| 188 | G | 55.1 | Low | 58.4 | Low | 31 Ų | 31 | 95.1 Ų | 95.1 | 32% | 0.32 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98 | 0.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | F186 | F186-G188 PolarHBondContact O-N 3.34Š|
| 189 | I | 54.4 | Low | 58.3 | Low | 19 Ų | 19 | 95.7 Ų | 95.7 | 10% | 0.097 | 54% | 0.543 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -17.6 | -178.5 | -66.4 | -158.9 | 0 | 0 | 0 | 113.7 | F186 | F186-I189 HydrophobicContact CB-CB 4.44Å; F186-I189 HydrophobicContact CB-CD1 3.17Å; F186-I189 HydrophobicContact CB-CG1 3.59Å; F186-I189 HydrophobicContact CD2-CD1 4Å; F186-I189 HydrophobicContact CG-CD1 3.71Å; F186-I189 PolarHBondContact O-N 3.01Å |
| 190 | G | 51 | Low | 58.1 | Low | 47 Ų | 47 | 97 Ų | 97 | 49% | 0.485 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.4 | 3.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | N183 | N183-G190 PolarHBondContact OD1-N 3.38Š|
| 191 | C | 54.7 | Low | 57.7 | Low | 70 Ų | 70 | 93 Ų | 93 | 47% | 0.473 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -73.5 | 135.6 | -178.1 | -117.2 | 0 | 0 | 0 | 0 | 110.7 | V193 | C191-V193 PolarHBondContact O-N 3.27Š|
| 192 | P | 56.8 | Low | 57.4 | Low | 118 Ų | 118 | 91.2 Ų | 91.2 | 77% | 0.766 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 117.4 | 170.7 | -19.8 | 30.3 | 0 | 0 | 0 | 109.2 | ||
| 193 | V | 61.2 | Low | 56.7 | Low | 54 Ų | 54 | 96.4 Ų | 96.4 | 33% | 0.327 | 58% | 0.583 | S | S | . | * | P | Polyproline II helix | trans | -79 | 123.4 | -177.4 | -173 | 0 | 0 | 0 | 0 | 107.9 | C191 R195 Y264 A268 | C191-V193 PolarHBondContact O-N 3.27Å; V193-R195 WeakPolarHBondContact CG1-O 3.2Å; V193-R195 PolarHBondContact O-N 2.92Å; V193-Y264 HydrophobicContact CG1-CE1 3.94Å; V193-Y264 HydrophobicContact CG2-CE1 4.13Å; V193-A268 HydrophobicContact CG1-CB 3.2Å |
| 194 | P | 58.4 | Low | 56.4 | Low | 102 Ų | 102 | 95.6 Ų | 95.6 | 66% | 0.662 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -65.9 | -23.8 | -173.2 | -18.6 | 28.8 | 0 | 0 | 0 | 113.9 | ||
| 195 | R | 61.8 | Low | 56.3 | Low | 178 Ų | 178 | 95.3 Ų | 95.3 | 67% | 0.672 | 58% | 0.578 | S | S | * | * | trans | -155.3 | 145.2 | -173.4 | -167.2 | -179.4 | 176.5 | 98.4 | 1.8 | 111.8 | V193 P197 | V193-R195 WeakPolarHBondContact CG1-O 3.2Å; V193-R195 PolarHBondContact O-N 2.92Å; R195-P197 WeakPolarHBondContact O-CD 3.38Å | ||
| 196 | I | 67.4 | Low | 55.8 | Low | 142 Ų | 142 | 98.3 Ų | 98.3 | 73% | 0.728 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 116.6 | 169.6 | -56.2 | 167.9 | 0 | 0 | 0 | 108.3 | ||
| 197 | P | 64.8 | Low | 55.8 | Low | 28 Ų | 28 | 99.9 Ų | 99.9 | 18% | 0.182 | 60% | 0.603 | C | S | . | * | P | Polyproline II helix | trans | -60.9 | 145.7 | 173.1 | -20.1 | 32.8 | 0 | 0 | 0 | 112 | R195 Y264 Q267 | R195-P197 WeakPolarHBondContact O-CD 3.38Å; P197-Y264 HydrophobicContact CG-CD2 3.77Å; P197-Y264 HydrophobicContact CG-CE2 3.71Å; P197-Y264 HydrophobicContact CG-CG 4.43Å; P197-Q267 HydrophobicContact CB-CB 4.4Å; P197-Q267 HydrophobicContact CG-CB 4.21Å |
| 198 | A | 57.8 | Low | 56.7 | Low | 96 Ų | 96 | 96 Ų | 96 | 79% | 0.793 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 139.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 199 | E | 59.5 | Low | 57.8 | Low | 192 Ų | 192 | 97 Ų | 97 | 90% | 0.897 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 142.8 | 176.2 | -64.9 | -164.9 | 157.8 | 0 | 0 | 111 | ||
| 200 | A | 55.3 | Low | 59.2 | Low | 104 Ų | 104 | 100.4 Ų | 100.4 | 86% | 0.86 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 134.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 201 | S | 48.6 | Very low | 60.9 | Low | 97 Ų | 97 | 106.2 Ų | 106.2 | 68% | 0.678 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -65 | 155.8 | -175.1 | -159.5 | 0 | 0 | 0 | 0 | 113.7 | L203 | S201-L203 VanDerWaalsContact C-N 3.27Å; S201-L203 PolarHBondContact O-N 3.5Å |
| 202 | P | 49.9 | Very low | 62.4 | Low | 89 Ų | 89 | 104.8 Ų | 104.8 | 58% | 0.578 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -72.8 | -3.6 | -171.6 | -2.8 | 17 | 0 | 0 | 0 | 115.6 | A204 D205 | P202-A204 PolarHBondContact O-N 3.45Å; P202-D205 PolarHBondContact O-N 2.77Å |
| 203 | L | 44.3 | Very low | 63.9 | Low | 172 Ų | 172 | 103 Ų | 103 | 90% | 0.901 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -63.9 | 0 | -176.8 | -151.1 | 77.3 | 0 | 0 | 0 | 114.5 | S201 D205 | S201-L203 VanDerWaalsContact C-N 3.27Å; S201-L203 PolarHBondContact O-N 3.5Å; L203-D205 VanDerWaalsContact C-N 3.27Å; L203-D205 PolarHBondContact O-N 3.31Å |
| 204 | A | 53.1 | Low | 65.3 | Low | 63 Ų | 63 | 103.9 Ų | 103.9 | 52% | 0.521 | 59% | 0.592 | S | S | . | * | G | 310 helix | trans | -77.8 | -1.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | P202 S208 | P202-A204 PolarHBondContact O-N 3.45Å; A204-S208 WeakPolarHBondContact O-CB 3.37Å; A204-S208 PolarHBondContact O-N 3.45Å |
| 205 | D | 54.8 | Low | 66.8 | Low | 104 Ų | 104 | 100.4 Ų | 100.4 | 56% | 0.556 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68.2 | -37.9 | -162.2 | -74 | -21.9 | 0 | 0 | 0 | 116 | P202 L203 S208 A209 | P202-D205 PolarHBondContact O-N 2.77Å; L203-D205 VanDerWaalsContact C-N 3.27Å; L203-D205 PolarHBondContact O-N 3.31Å; D205-S208 WeakPolarHBondContact O-CB 3.39Å; D205-S208 PolarHBondContact O-N 3.41Å; D205-A209 PolarHBondContact O-N 2.81Å |
| 206 | H | 52.1 | Low | 68.2 | Low | 173 Ų | 173 | 92 Ų | 92 | 80% | 0.801 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -71.5 | -41.4 | 177.7 | -81.6 | -79.2 | 0 | 0 | 0 | 113 | S208 A209 | H206-S208 PolarHBondContact O-N 3.14Å; H206-A209 PolarHBondContact O-N 2.89Å |
| 207 | V | 59.6 | Low | 69.4 | Low | 97 Ų | 97 | 87.8 Ų | 87.8 | 59% | 0.588 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -69.3 | -27.2 | 174.5 | -179.7 | 0 | 0 | 0 | 0 | 110.8 | R211 | V207-R211 WeakPolarHBondContact O-CB 3.17Å; V207-R211 PolarHBondContact O-N 2.96Å |
| 208 | S | 69.9 | Low | 70.8 | Confident | 40 Ų | 40 | 89.9 Ų | 89.9 | 28% | 0.28 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.5 | -45.3 | 172.9 | -170.2 | 0 | 0 | 0 | 0 | 111.7 | A204 D205 H206 T210 R211 I212 | A204-S208 WeakPolarHBondContact O-CB 3.37Å; A204-S208 PolarHBondContact O-N 3.45Å; D205-S208 WeakPolarHBondContact O-CB 3.39Å; D205-S208 PolarHBondContact O-N 3.41Å; H206-S208 PolarHBondContact O-N 3.14Å; S208-T210 PolarHBondContact O-N 3.12Å; S208-R211 PolarHBondContact O-N 2.9Å; S208-I212 WeakPolarHBondContact O-CB 3.36Å; S208-I212 WeakPolarHBondContact O-CG1 3.39Å; S208-I212 PolarHBondContact O-N 3.29Å |
| 209 | A | 78.3 | Confident | 72.5 | Confident | 51 Ų | 51 | 88 Ų | 88 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.9 | -50.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | D205 H206 R211 I212 L213 | D205-A209 PolarHBondContact O-N 2.81Å; H206-A209 PolarHBondContact O-N 2.89Å; A209-R211 VanDerWaalsContact C-N 3.33Å; A209-R211 PolarHBondContact O-N 3.49Å; A209-I212 WeakPolarHBondContact O-CB 3.32Å; A209-I212 PolarHBondContact O-N 2.88Å; A209-I212 VanDerWaalsContact O-N 3.15Å; A209-L213 PolarHBondContact O-N 2.7Å |
| 210 | T | 84.1 | Confident | 74.2 | Confident | 91 Ų | 91 | 79.1 Ų | 79.1 | 56% | 0.558 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -61.8 | -40.9 | 177.9 | -51.7 | 0 | 0 | 0 | 0 | 111.7 | S208 I212 L213 C214 | S208-T210 PolarHBondContact O-N 3.12Å; T210-I212 VanDerWaalsContact C-N 3.32Å; T210-I212 PolarHBondContact O-N 3.34Å; T210-L213 PolarHBondContact O-N 2.95Å; T210-C214 WeakPolarHBondContact O-CB 3.28Å; T210-C214 PolarHBondContact O-N 3.36Å; T210-C214 PolarHBondContact O-SG 3.24Å |
| 211 | R | 85.9 | Confident | 76.1 | Confident | 169 Ų | 169 | 76.3 Ų | 76.3 | 64% | 0.638 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -66.5 | -35.1 | 176.7 | -171.6 | -174.1 | -62.7 | 145.5 | -1.2 | 112.2 | K160 V207 S208 A209 G215 | K160-R211 PolarHBondContact NZ-O 2.61Å; V207-R211 WeakPolarHBondContact O-CB 3.17Å; V207-R211 PolarHBondContact O-N 2.96Å; S208-R211 PolarHBondContact O-N 2.9Å; A209-R211 VanDerWaalsContact C-N 3.33Å; A209-R211 PolarHBondContact O-N 3.49Å; R211-G215 PolarHBondContact O-N 3.04Å; R211-G215 VanDerWaalsContact O-N 3.1Å |
| 212 | I | 86.5 | Confident | 78.3 | Confident | 41 Ų | 41 | 74.1 Ų | 74.1 | 21% | 0.21 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.5 | -55 | 175.1 | -72.7 | 166.3 | 0 | 0 | 0 | 108.9 | I157 K160 M161 S208 A209 T210 A216 | I157-I212 HydrophobicContact CG2-CG2 4.37Å; K160-I212 HydrophobicContact CD-CB 4.03Å; K160-I212 HydrophobicContact CD-CG1 4.01Å; K160-I212 HydrophobicContact CD-CG2 3.87Å; K160-I212 PolarHBondContact NZ-O 3.41Å; M161-I212 HydrophobicContact CG-CG2 4.26Å; S208-I212 WeakPolarHBondContact O-CB 3.36Å; S208-I212 WeakPolarHBondContact O-CG1 3.39Å; S208-I212 PolarHBondContact O-N 3.29Å; A209-I212 WeakPolarHBondContact O-CB 3.32Å; A209-I212 PolarHBondContact O-N 2.88Å; A209-I212 VanDerWaalsContact O-N 3.15Å; T210-I212 VanDerWaalsContact C-N 3.32Å; T210-I212 PolarHBondContact O-N 3.34Å; I212-A216 VanDerWaalsContact O-CB 3.29Å; I212-A216 WeakPolarHBondContact O-CB 3.42Å; I212-A216 PolarHBondContact O-N 2.82Å |
| 213 | L | 88.8 | Confident | 80.4 | Confident | 81 Ų | 81 | 70.1 Ų | 70.1 | 42% | 0.424 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -55.7 | -61.3 | 177.8 | -111.2 | 155.2 | 0 | 0 | 0 | 112.2 | I157 A209 T210 G215 A216 L217 | I157-L213 HydrophobicContact CD1-CD2 3.78Å; I157-L213 HydrophobicContact CD1-CG 4.26Å; I157-L213 HydrophobicContact CG1-CD2 4.47Å; A209-L213 PolarHBondContact O-N 2.7Å; T210-L213 PolarHBondContact O-N 2.95Å; L213-G215 PolarHBondContact O-N 2.97Å; L213-A216 WeakPolarHBondContact O-CB 3.31Å; L213-A216 PolarHBondContact O-N 3.42Å; L213-L217 HydrophobicContact CD2-CD1 3.99Å; L213-L217 HydrophobicContact CD2-CG 4.46Å; L213-L217 WeakPolarHBondContact O-CG 3.36Å; L213-L217 PolarHBondContact O-N 3.07Å |
| 214 | C | 90.3 | Very high | 82.8 | Confident | 71 Ų | 71 | 62.6 Ų | 62.6 | 48% | 0.48 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57.3 | -47 | -177.1 | -67.8 | 0 | 0 | 0 | 0 | 112 | T210 A216 L217 V218 | T210-C214 WeakPolarHBondContact O-CB 3.28Å; T210-C214 PolarHBondContact O-N 3.36Å; T210-C214 PolarHBondContact O-SG 3.24Å; C214-A216 VanDerWaalsContact C-N 3.27Å; C214-A216 PolarHBondContact O-N 3.33Å; C214-L217 PolarHBondContact O-N 2.74Å; C214-V218 WeakPolarHBondContact O-CB 3.27Å; C214-V218 VanDerWaalsContact O-CG2 3.27Å; C214-V218 WeakPolarHBondContact O-CG2 3.17Å; C214-V218 PolarHBondContact O-N 3.29Å |
| 215 | G | 90.1 | Very high | 84.8 | Confident | 29 Ų | 29 | 64.3 Ų | 64.3 | 30% | 0.299 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -76.3 | -11.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | R211 L213 | R211-G215 PolarHBondContact O-N 3.04Å; R211-G215 VanDerWaalsContact O-N 3.1Å; L213-G215 PolarHBondContact O-N 2.97Å |
| 216 | A | 91.4 | Very high | 86.7 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.008 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -80.9 | -42 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | L156 I157 K160 I212 L213 C214 V218 F219 | L156-A216 HydrophobicContact CB-CB 4.32Å; I157-A216 HydrophobicContact CG1-CB 3.94Å; K160-A216 HydrophobicContact CB-CB 4.16Å; K160-A216 HydrophobicContact CG-CB 4.43Å; I212-A216 VanDerWaalsContact O-CB 3.29Å; I212-A216 WeakPolarHBondContact O-CB 3.42Å; I212-A216 PolarHBondContact O-N 2.82Å; L213-A216 WeakPolarHBondContact O-CB 3.31Å; L213-A216 PolarHBondContact O-N 3.42Å; C214-A216 VanDerWaalsContact C-N 3.27Å; C214-A216 PolarHBondContact O-N 3.33Å; A216-V218 PolarHBondContact O-N 3.18Å; A216-F219 VanDerWaalsContact O-CB 3.22Å; A216-F219 WeakPolarHBondContact O-CB 3.25Å; A216-F219 PolarHBondContact O-N 3.02Å; A216-F219 VanDerWaalsContact O-N 3.16Å |
| 217 | L | 92.3 | Very high | 88.6 | Confident | 55 Ų | 55 | 52.4 Ų | 52.4 | 29% | 0.288 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -70.9 | -28.2 | -180 | -62.5 | 176.5 | 0 | 0 | 0 | 113.7 | Y119 P153 L213 C214 F219 | Y119-L217 HydrophobicContact CD1-CD2 3.97Å; Y119-L217 HydrophobicContact CD2-CD2 3.95Å; Y119-L217 HydrophobicContact CE1-CD2 3.66Å; Y119-L217 HydrophobicContact CE2-CB 3.85Å; Y119-L217 HydrophobicContact CE2-CD2 3.63Å; Y119-L217 HydrophobicContact CE2-CG 4.28Å; Y119-L217 WeakPolarHBondContact CE2-O 3.45Å; Y119-L217 HydrophobicContact CG-CD2 4.11Å; Y119-L217 VanDerWaalsContact CZ-CD2 3.5Å; Y119-L217 WeakPolarHBondContact OH-CA 3.25Å; Y119-L217 PolarHBondContact OH-O 3.07Å; P153-L217 HydrophobicContact CB-CD2 4.16Å; L213-L217 HydrophobicContact CD2-CD1 3.99Å; L213-L217 HydrophobicContact CD2-CG 4.46Å; L213-L217 WeakPolarHBondContact O-CG 3.36Å; L213-L217 PolarHBondContact O-N 3.07Å; C214-L217 PolarHBondContact O-N 2.74Å; L217-F219 VanDerWaalsContact C-N 3.32Å |
| 218 | V | 94.3 | Very high | 90.1 | Very high | 72 Ų | 72 | 53.1 Ų | 53.1 | 44% | 0.436 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -5.7 | 174.8 | -177.9 | 0 | 0 | 0 | 0 | 111.6 | C214 A216 T221 I222 | C214-V218 WeakPolarHBondContact O-CB 3.27Å; C214-V218 VanDerWaalsContact O-CG2 3.27Å; C214-V218 WeakPolarHBondContact O-CG2 3.17Å; C214-V218 PolarHBondContact O-N 3.29Å; A216-V218 PolarHBondContact O-N 3.18Å; V218-T221 PolarHBondContact O-OG1 3.39Å; V218-I222 HydrophobicContact CG1-CD1 3.75Å; V218-I222 HydrophobicContact CG1-CG1 3.95Å; V218-I222 WeakPolarHBondContact O-CG1 3.36Å; V218-I222 PolarHBondContact O-N 2.89Å |
| 219 | F | 94.3 | Very high | 91.2 | Very high | 57 Ų | 57 | 57.7 Ų | 57.7 | 25% | 0.25 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.8 | -46.9 | -177 | 177.6 | -100.3 | 0 | 0 | 0 | 113.7 | L156 A216 L217 T221 I222 A223 F248 V249 | L156-F219 HydrophobicContact CD2-CD1 3.78Å; L156-F219 HydrophobicContact CD2-CE1 4.43Å; A216-F219 VanDerWaalsContact O-CB 3.22Å; A216-F219 WeakPolarHBondContact O-CB 3.25Å; A216-F219 PolarHBondContact O-N 3.02Å; A216-F219 VanDerWaalsContact O-N 3.16Å; L217-F219 VanDerWaalsContact C-N 3.32Å; F219-T221 VanDerWaalsContact C-N 3.32Å; F219-T221 PolarHBondContact O-N 2.92Å; F219-I222 PolarHBondContact O-N 2.81Å; F219-A223 WeakPolarHBondContact O-CB 3.35Å; F219-A223 PolarHBondContact O-N 3.1Å; F219-F248 HydrophobicContact CD2-CD1 4.11Å; F219-F248 HydrophobicContact CD2-CE1 4.19Å; F219-F248 AromaticContact CE2-CD1 3.9Å; F219-F248 HydrophobicContact CE2-CD1 3.9Å; F219-F248 HydrophobicContact CE2-CE1 4.4Å; F219-V249 HydrophobicContact CE2-CG2 3.62Å; F219-V249 HydrophobicContact CZ-CG2 3.99Å |
| 220 | P | 94.4 | Very high | 91.9 | Very high | 5 Ų | 5 | 60.5 Ų | 60.5 | 3% | 0.032 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.4 | -36.9 | -178.8 | -24.8 | 36.3 | 0 | 0 | 0 | 113.7 | Y119 T123 V127 L156 A223 T224 | Y119-P220 WeakPolarHBondContact OH-CD 3.11Å; Y119-P220 WeakPolarHBondContact OH-CG 3.49Å; T123-P220 HydrophobicContact CG2-CB 3.79Å; T123-P220 HydrophobicContact CG2-CG 3.69Å; V127-P220 HydrophobicContact CG2-CB 4.46Å; L156-P220 HydrophobicContact CD1-CG 3.62Å; L156-P220 HydrophobicContact CD2-CG 4.42Å; P220-A223 PolarHBondContact O-N 3.38Å; P220-T224 WeakPolarHBondContact O-CB 3.32Å; P220-T224 PolarHBondContact O-N 2.96Å; P220-T224 PolarHBondContact O-OG1 3.46Å |
| 221 | T | 94.9 | Very high | 92.3 | Very high | 45 Ų | 45 | 58.9 Ų | 58.9 | 28% | 0.276 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.3 | -45.9 | 177.4 | 54.6 | 0 | 0 | 0 | 0 | 111 | Q126 V218 F219 T224 I225 | Q126-T221 VanDerWaalsContact OE1-CG2 3.27Å; V218-T221 PolarHBondContact O-OG1 3.39Å; F219-T221 VanDerWaalsContact C-N 3.32Å; F219-T221 PolarHBondContact O-N 2.92Å; T221-T224 PolarHBondContact O-N 3.47Å; T221-I225 VanDerWaalsContact O-CG1 3.3Å; T221-I225 WeakPolarHBondContact O-CG1 3.39Å; T221-I225 PolarHBondContact O-N 3.37Å |
| 222 | I | 95 | Very high | 92.3 | Very high | 51 Ų | 51 | 55.1 Ų | 55.1 | 26% | 0.262 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.9 | -47.4 | 175.2 | -65.8 | 169.6 | 0 | 0 | 0 | 110.5 | V218 F219 T224 I225 V226 F248 | V218-I222 HydrophobicContact CG1-CD1 3.75Å; V218-I222 HydrophobicContact CG1-CG1 3.95Å; V218-I222 WeakPolarHBondContact O-CG1 3.36Å; V218-I222 PolarHBondContact O-N 2.89Å; F219-I222 PolarHBondContact O-N 2.81Å; I222-T224 VanDerWaalsContact C-N 3.26Å; I222-T224 PolarHBondContact O-N 3.02Å; I222-I225 PolarHBondContact O-N 3.42Å; I222-V226 HydrophobicContact CG2-CG2 3.97Å; I222-V226 WeakPolarHBondContact O-CB 3.34Å; I222-V226 VanDerWaalsContact O-CG2 3.3Å; I222-V226 WeakPolarHBondContact O-CG2 3.39Å; I222-V226 PolarHBondContact O-N 3.27Å; I222-F248 HydrophobicContact CD1-CE1 4.49Å; I222-F248 HydrophobicContact CD1-CZ 4.05Å; I222-F248 HydrophobicContact CG2-CB 4.47Å; I222-F248 HydrophobicContact CG2-CD1 3.98Å; I222-F248 HydrophobicContact CG2-CD2 3.53Å; I222-F248 HydrophobicContact CG2-CE1 4.04Å; I222-F248 HydrophobicContact CG2-CE2 3.6Å; I222-F248 HydrophobicContact CG2-CG 3.72Å; I222-F248 HydrophobicContact CG2-CZ 3.85Å |
| 223 | A | 94.8 | Very high | 92.3 | Very high | 4 Ų | 4 | 58.4 Ų | 58.4 | 3% | 0.033 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.1 | -41.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | F219 P220 G227 T241 | F219-A223 WeakPolarHBondContact O-CB 3.35Å; F219-A223 PolarHBondContact O-N 3.1Å; P220-A223 PolarHBondContact O-N 3.38Å; A223-G227 PolarHBondContact O-N 3.46Å; A223-T241 HydrophobicContact CB-CG2 4.07Å |
| 224 | T | 93.9 | Very high | 92.4 | Very high | 14 Ų | 14 | 56.1 Ų | 56.1 | 9% | 0.086 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.7 | -43.9 | 177.9 | -53.8 | 0 | 0 | 0 | 0 | 111.7 | P220 T221 I222 G227 K228 T241 | P220-T224 WeakPolarHBondContact O-CB 3.32Å; P220-T224 PolarHBondContact O-N 2.96Å; P220-T224 PolarHBondContact O-OG1 3.46Å; T221-T224 PolarHBondContact O-N 3.47Å; I222-T224 VanDerWaalsContact C-N 3.26Å; I222-T224 PolarHBondContact O-N 3.02Å; T224-G227 PolarHBondContact O-N 3.01Å; T224-K228 WeakPolarHBondContact O-CG 3.22Å; T224-K228 PolarHBondContact O-N 2.66Å; T224-T241 WeakPolarHBondContact OG1-CG2 3.35Å |
| 225 | I | 94.8 | Very high | 92.1 | Very high | 99 Ų | 99 | 60.5 Ų | 60.5 | 51% | 0.508 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65 | -49.8 | 178.5 | -67.8 | 166 | 0 | 0 | 0 | 110.5 | T221 I222 G227 K228 L229 | T221-I225 VanDerWaalsContact O-CG1 3.3Å; T221-I225 WeakPolarHBondContact O-CG1 3.39Å; T221-I225 PolarHBondContact O-N 3.37Å; I222-I225 PolarHBondContact O-N 3.42Å; I225-G227 VanDerWaalsContact C-N 3.3Å; I225-G227 PolarHBondContact O-N 3.05Å; I225-K228 PolarHBondContact O-N 3.18Å; I225-L229 HydrophobicContact CG2-CD1 3.94Å; I225-L229 WeakPolarHBondContact O-CG 3.46Å; I225-L229 PolarHBondContact O-N 2.87Å |
| 226 | V | 94.3 | Very high | 92.2 | Very high | 28 Ų | 28 | 61.6 Ų | 61.6 | 17% | 0.17 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 178.6 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | I222 K228 L229 M230 G244 A247 F248 | I222-V226 HydrophobicContact CG2-CG2 3.97Å; I222-V226 WeakPolarHBondContact O-CB 3.34Å; I222-V226 VanDerWaalsContact O-CG2 3.3Å; I222-V226 WeakPolarHBondContact O-CG2 3.39Å; I222-V226 PolarHBondContact O-N 3.27Å; V226-K228 PolarHBondContact O-N 3.03Å; V226-L229 PolarHBondContact O-N 2.78Å; V226-M230 HydrophobicContact CG1-CG 4.26Å; V226-M230 HydrophobicContact CG1-SD 4.34Å; V226-M230 PolarHBondContact O-N 3.48Å; V226-G244 WeakPolarHBondContact CG1-O 3.45Å; V226-A247 HydrophobicContact CG1-CB 4.47Å; V226-F248 HydrophobicContact CG1-CB 4.5Å; V226-F248 HydrophobicContact CG2-CB 4.36Å; V226-F248 HydrophobicContact CG2-CD2 4.47Å |
| 227 | G | 93 | Very high | 92.1 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.8 | -45.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A223 T224 I225 L229 F231 R240 | A223-G227 PolarHBondContact O-N 3.46Å; T224-G227 PolarHBondContact O-N 3.01Å; I225-G227 VanDerWaalsContact C-N 3.3Å; I225-G227 PolarHBondContact O-N 3.05Å; G227-L229 VanDerWaalsContact C-N 3.33Å; G227-L229 PolarHBondContact O-N 2.99Å; G227-F231 CarbonylContact O-C 3.42Å; G227-F231 WeakPolarHBondContact O-CA 3.35Å; G227-F231 WeakPolarHBondContact O-CB 3.37Å; G227-F231 PolarHBondContact O-N 3.45Å; G227-R240 VanDerWaalsContact C-CG 3.42Å; G227-R240 VanDerWaalsContact CA-O 3.3Å; G227-R240 WeakPolarHBondContact CA-O 3.42Å; G227-R240 WeakPolarHBondContact O-CG 3.49Å |
| 228 | K | 91.9 | Very high | 92 | Very high | 112 Ų | 112 | 65 Ų | 65 | 49% | 0.487 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.3 | -37 | 176.2 | -75.8 | 177.4 | -179.6 | -179.4 | 0 | 113 | T224 I225 V226 | T224-K228 WeakPolarHBondContact O-CG 3.22Å; T224-K228 PolarHBondContact O-N 2.66Å; I225-K228 PolarHBondContact O-N 3.18Å; V226-K228 PolarHBondContact O-N 3.03Å |
| 229 | L | 93.1 | Very high | 91.9 | Very high | 135 Ų | 135 | 67 Ų | 67 | 71% | 0.707 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -77 | -46.9 | -178.5 | -69.4 | 172.1 | 0 | 0 | 0 | 113 | I225 V226 G227 | I225-L229 HydrophobicContact CG2-CD1 3.94Å; I225-L229 WeakPolarHBondContact O-CG 3.46Å; I225-L229 PolarHBondContact O-N 2.87Å; V226-L229 PolarHBondContact O-N 2.78Å; G227-L229 VanDerWaalsContact C-N 3.33Å; G227-L229 PolarHBondContact O-N 2.99Å |
| 230 | M | 91.8 | Very high | 91.9 | Very high | 111 Ų | 111 | 66.2 Ų | 66.2 | 55% | 0.547 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -91.3 | -26.7 | -173.1 | -62.8 | -154.8 | 77.9 | 0 | 0 | 113.8 | V226 I251 | V226-M230 HydrophobicContact CG1-CG 4.26Å; V226-M230 HydrophobicContact CG1-SD 4.34Å; V226-M230 PolarHBondContact O-N 3.48Å; M230-I251 HydrophobicContact SD-CD1 4.24Å |
| 231 | F | 92.8 | Very high | 91.9 | Very high | 57 Ų | 57 | 66.3 Ų | 66.3 | 25% | 0.25 | 36% | 0.36 | C | S | . | . | trans | -128.1 | 45.8 | -172.3 | -55.8 | -75.1 | 0 | 0 | 0 | 111.5 | G227 S233 V234 R240 L243 A247 | G227-F231 CarbonylContact O-C 3.42Å; G227-F231 WeakPolarHBondContact O-CA 3.35Å; G227-F231 WeakPolarHBondContact O-CB 3.37Å; G227-F231 PolarHBondContact O-N 3.45Å; F231-S233 PolarHBondContact O-N 3.43Å; F231-V234 HydrophobicContact CB-CG2 4.21Å; F231-V234 PolarHBondContact O-N 3.09Å; F231-R240 HydrophobicContact CB-CG 4.26Å; F231-R240 VanDerWaalsContact O-CD 3.24Å; F231-R240 WeakPolarHBondContact O-CD 3.39Å; F231-R240 WeakPolarHBondContact O-CG 3.38Å; F231-L243 HydrophobicContact CB-CD2 4.16Å; F231-L243 HydrophobicContact CD1-CD2 3.21Å; F231-L243 HydrophobicContact CD1-CG 3.87Å; F231-L243 HydrophobicContact CD2-CB 4.1Å; F231-L243 HydrophobicContact CD2-CD2 3.89Å; F231-L243 HydrophobicContact CD2-CG 3.7Å; F231-L243 HydrophobicContact CE1-CD1 4.44Å; F231-L243 HydrophobicContact CE1-CD2 3.41Å; F231-L243 VanDerWaalsContact CE1-CD2 3.41Å; F231-L243 HydrophobicContact CE1-CG 3.72Å; F231-L243 HydrophobicContact CE2-CB 4.29Å; F231-L243 HydrophobicContact CE2-CD2 4.08Å; F231-L243 HydrophobicContact CE2-CG 3.58Å; F231-L243 HydrophobicContact CG-CB 4.39Å; F231-L243 HydrophobicContact CG-CD2 3.47Å; F231-L243 VanDerWaalsContact CG-CD2 3.47Å; F231-L243 HydrophobicContact CG-CG 3.85Å; F231-L243 HydrophobicContact CZ-CD1 4.24Å; F231-L243 HydrophobicContact CZ-CD2 3.84Å; F231-L243 HydrophobicContact CZ-CG 3.58Å; F231-A247 HydrophobicContact CE2-CB 3.91Å; F231-A247 HydrophobicContact CZ-CB 4.35Å | ||
| 232 | S | 85.7 | Confident | 91.8 | Very high | 90 Ų | 90 | 68.6 Ų | 68.6 | 63% | 0.629 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -24.6 | 177.6 | 59.3 | 0 | 0 | 0 | 0 | 113.4 | V234 | S232-V234 VanDerWaalsContact C-N 3.3Å; S232-V234 PolarHBondContact O-N 2.97Å |
| 233 | S | 87.5 | Confident | 91.8 | Very high | 110 Ų | 110 | 69 Ų | 69 | 77% | 0.769 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -9 | 179.5 | -174.7 | 0 | 0 | 0 | 0 | 115 | F231 | F231-S233 PolarHBondContact O-N 3.43Š|
| 234 | V | 90.1 | Very high | 91.8 | Very high | 32 Ų | 32 | 68.8 Ų | 68.8 | 19% | 0.194 | 37% | 0.37 | C | S | . | . | trans | -89.2 | 123.1 | -178.4 | 179.5 | 0 | 0 | 0 | 0 | 109.9 | F231 S232 Q239 R240 | F231-V234 HydrophobicContact CB-CG2 4.21Å; F231-V234 PolarHBondContact O-N 3.09Å; S232-V234 VanDerWaalsContact C-N 3.3Å; S232-V234 PolarHBondContact O-N 2.97Å; V234-Q239 HydrophobicContact CG1-CB 4Å; V234-Q239 HydrophobicContact CG1-CG 4.02Å; V234-R240 HydrophobicContact CB-CB 4.26Å; V234-R240 HydrophobicContact CG1-CB 4.37Å | ||
| 235 | N | 84.4 | Confident | 91.8 | Very high | 164 Ų | 164 | 68.4 Ų | 68.4 | 88% | 0.877 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -69.1 | -35.1 | -176 | -68.6 | -27.6 | 0 | 0 | 0 | 113.4 | ||
| 236 | S | 91.3 | Very high | 91.7 | Very high | 52 Ų | 52 | 68.7 Ų | 68.7 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | trans | -82.8 | 123.9 | 179.7 | 177.7 | 0 | 0 | 0 | 0 | 111.9 | L238 Q239 R240 | S236-L238 VanDerWaalsContact C-N 3.34Å; S236-L238 PolarHBondContact O-N 2.92Å; S236-Q239 PolarHBondContact O-N 3.22Å; S236-R240 VanDerWaalsContact O-CB 3.3Å; S236-R240 WeakPolarHBondContact O-CB 3.22Å; S236-R240 PolarHBondContact O-N 3.38Å | ||
| 237 | N | 89.9 | Confident | 91.7 | Very high | 47 Ų | 47 | 68.1 Ų | 68.1 | 25% | 0.251 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 177.3 | -71.1 | -56.8 | 0 | 0 | 0 | 112.8 | V127 V128 R240 T241 | V127-N237 CarbonylContact O-C 3.09Å; V128-N237 WeakPolarHBondContact O-CB 3.42Å; V128-N237 PolarHBondContact O-ND2 2.96Å; N237-R240 PolarHBondContact O-N 3.37Å; N237-R240 PolarHBondContact OD1-NH2 3.26Å; N237-T241 WeakPolarHBondContact O-CB 3.21Å; N237-T241 PolarHBondContact O-N 2.87Å; N237-T241 PolarHBondContact O-OG1 3.48Å |
| 238 | L | 89.9 | Confident | 91.8 | Very high | 79 Ų | 79 | 70.4 Ų | 70.4 | 41% | 0.414 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.6 | -49.3 | -179.8 | 178.7 | 148.9 | 0 | 0 | 0 | 110.9 | V127 V128 S236 R240 T241 I242 | V127-L238 HydrophobicContact CG1-CG 4.33Å; V127-L238 PolarHBondContact O-N 3.45Å; V128-L238 HydrophobicContact CG2-CD1 4.21Å; S236-L238 VanDerWaalsContact C-N 3.34Å; S236-L238 PolarHBondContact O-N 2.92Å; L238-R240 VanDerWaalsContact C-N 3.31Å; L238-R240 PolarHBondContact O-N 3.35Å; L238-T241 PolarHBondContact O-N 3.49Å; L238-I242 HydrophobicContact CD2-CD1 3.47Å; L238-I242 VanDerWaalsContact CD2-CD1 3.47Å; L238-I242 HydrophobicContact CD2-CG1 4.39Å; L238-I242 HydrophobicContact CG-CD1 4.22Å; L238-I242 WeakPolarHBondContact O-CG1 3.43Å; L238-I242 PolarHBondContact O-N 2.82Å |
| 239 | Q | 92.3 | Very high | 91.8 | Very high | 114 Ų | 114 | 67.7 Ų | 67.7 | 53% | 0.533 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 179.1 | -173.3 | -179.6 | -2.9 | 0 | 0 | 111.3 | V234 S236 T241 I242 L243 | V234-Q239 HydrophobicContact CG1-CB 4Å; V234-Q239 HydrophobicContact CG1-CG 4.02Å; S236-Q239 PolarHBondContact O-N 3.22Å; Q239-T241 VanDerWaalsContact C-N 3.33Å; Q239-T241 PolarHBondContact O-N 3.08Å; Q239-I242 PolarHBondContact O-N 3.41Å; Q239-L243 WeakPolarHBondContact O-CB 3.49Å; Q239-L243 PolarHBondContact O-N 2.84Å |
| 240 | R | 94.1 | Very high | 91.7 | Very high | 42 Ų | 42 | 63.7 Ų | 63.7 | 16% | 0.158 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.6 | -43.1 | 176 | -177.4 | 171.9 | 66.5 | 179.2 | -5.4 | 112.1 | G227 F231 V234 S236 N237 L238 G244 | G227-R240 VanDerWaalsContact C-CG 3.42Å; G227-R240 VanDerWaalsContact CA-O 3.3Å; G227-R240 WeakPolarHBondContact CA-O 3.42Å; G227-R240 WeakPolarHBondContact O-CG 3.49Å; F231-R240 HydrophobicContact CB-CG 4.26Å; F231-R240 VanDerWaalsContact O-CD 3.24Å; F231-R240 WeakPolarHBondContact O-CD 3.39Å; F231-R240 WeakPolarHBondContact O-CG 3.38Å; V234-R240 HydrophobicContact CB-CB 4.26Å; V234-R240 HydrophobicContact CG1-CB 4.37Å; S236-R240 VanDerWaalsContact O-CB 3.3Å; S236-R240 WeakPolarHBondContact O-CB 3.22Å; S236-R240 PolarHBondContact O-N 3.38Å; N237-R240 PolarHBondContact O-N 3.37Å; N237-R240 PolarHBondContact OD1-NH2 3.26Å; L238-R240 VanDerWaalsContact C-N 3.31Å; L238-R240 PolarHBondContact O-N 3.35Å; R240-G244 PolarHBondContact O-N 3.18Å |
| 241 | T | 93.8 | Very high | 91.7 | Very high | 7 Ų | 7 | 62 Ų | 62 | 4% | 0.043 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.3 | -42.1 | 178.2 | -59.4 | 0 | 0 | 0 | 0 | 112.1 | V127 A223 T224 N237 L238 Q239 L243 G244 G245 | V127-T241 HydrophobicContact CB-CG2 4.23Å; V127-T241 HydrophobicContact CG1-CG2 3.95Å; V127-T241 HydrophobicContact CG2-CG2 3.92Å; V127-T241 PolarHBondContact O-OG1 2.85Å; A223-T241 HydrophobicContact CB-CG2 4.07Å; T224-T241 WeakPolarHBondContact OG1-CG2 3.35Å; N237-T241 WeakPolarHBondContact O-CB 3.21Å; N237-T241 PolarHBondContact O-N 2.87Å; N237-T241 PolarHBondContact O-OG1 3.48Å; L238-T241 PolarHBondContact O-N 3.49Å; Q239-T241 VanDerWaalsContact C-N 3.33Å; Q239-T241 PolarHBondContact O-N 3.08Å; T241-L243 PolarHBondContact O-N 3.19Å; T241-G244 PolarHBondContact O-N 3.1Å; T241-G245 PolarHBondContact O-N 3.3Å |
| 242 | I | 94 | Very high | 91.7 | Very high | 92 Ų | 92 | 63.7 Ų | 63.7 | 47% | 0.472 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60 | -47.5 | 175.4 | -69.4 | 174.3 | 0 | 0 | 0 | 110.4 | L238 Q239 G244 G245 I246 | L238-I242 HydrophobicContact CD2-CD1 3.47Å; L238-I242 VanDerWaalsContact CD2-CD1 3.47Å; L238-I242 HydrophobicContact CD2-CG1 4.39Å; L238-I242 HydrophobicContact CG-CD1 4.22Å; L238-I242 WeakPolarHBondContact O-CG1 3.43Å; L238-I242 PolarHBondContact O-N 2.82Å; Q239-I242 PolarHBondContact O-N 3.41Å; I242-G244 VanDerWaalsContact C-N 3.34Å; I242-G244 PolarHBondContact O-N 2.84Å; I242-G245 PolarHBondContact O-N 3.06Å; I242-G245 VanDerWaalsContact O-N 3.15Å; I242-I246 HydrophobicContact CG2-CD1 3.93Å; I242-I246 WeakPolarHBondContact O-CG1 3.38Å; I242-I246 PolarHBondContact O-N 2.93Å |
| 243 | L | 94.3 | Very high | 91.8 | Very high | 60 Ų | 60 | 59.4 Ų | 59.4 | 31% | 0.314 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.3 | -38.8 | -179.7 | -167.5 | 58.7 | 0 | 0 | 0 | 111.7 | F231 Q239 T241 I246 A247 | F231-L243 HydrophobicContact CB-CD2 4.16Å; F231-L243 HydrophobicContact CD1-CD2 3.21Å; F231-L243 HydrophobicContact CD1-CG 3.87Å; F231-L243 HydrophobicContact CD2-CB 4.1Å; F231-L243 HydrophobicContact CD2-CD2 3.89Å; F231-L243 HydrophobicContact CD2-CG 3.7Å; F231-L243 HydrophobicContact CE1-CD1 4.44Å; F231-L243 HydrophobicContact CE1-CD2 3.41Å; F231-L243 VanDerWaalsContact CE1-CD2 3.41Å; F231-L243 HydrophobicContact CE1-CG 3.72Å; F231-L243 HydrophobicContact CE2-CB 4.29Å; F231-L243 HydrophobicContact CE2-CD2 4.08Å; F231-L243 HydrophobicContact CE2-CG 3.58Å; F231-L243 HydrophobicContact CG-CB 4.39Å; F231-L243 HydrophobicContact CG-CD2 3.47Å; F231-L243 VanDerWaalsContact CG-CD2 3.47Å; F231-L243 HydrophobicContact CG-CG 3.85Å; F231-L243 HydrophobicContact CZ-CD1 4.24Å; F231-L243 HydrophobicContact CZ-CD2 3.84Å; F231-L243 HydrophobicContact CZ-CG 3.58Å; Q239-L243 WeakPolarHBondContact O-CB 3.49Å; Q239-L243 PolarHBondContact O-N 2.84Å; T241-L243 PolarHBondContact O-N 3.19Å; L243-I246 PolarHBondContact O-N 3.26Å; L243-A247 WeakPolarHBondContact O-CB 3.48Å; L243-A247 PolarHBondContact O-N 2.87Å |
| 244 | G | 94.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.2 | -40.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V226 R240 T241 I242 F248 | V226-G244 WeakPolarHBondContact CG1-O 3.45Å; R240-G244 PolarHBondContact O-N 3.18Å; T241-G244 PolarHBondContact O-N 3.1Å; I242-G244 VanDerWaalsContact C-N 3.34Å; I242-G244 PolarHBondContact O-N 2.84Å; G244-F248 VanDerWaalsContact O-CB 3.32Å; G244-F248 WeakPolarHBondContact O-CB 3.31Å; G244-F248 PolarHBondContact O-N 3.1Å |
| 245 | G | 93.9 | Very high | 91.7 | Very high | 5 Ų | 5 | 62.5 Ų | 62.5 | 5% | 0.052 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63 | -47.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T241 I242 F248 V249 | T241-G245 PolarHBondContact O-N 3.3Å; I242-G245 PolarHBondContact O-N 3.06Å; I242-G245 VanDerWaalsContact O-N 3.15Å; G245-F248 PolarHBondContact O-N 3.03Å; G245-V249 WeakPolarHBondContact O-CG2 3.42Å; G245-V249 PolarHBondContact O-N 3.29Å |
| 246 | I | 93.4 | Very high | 91.8 | Very high | 105 Ų | 105 | 58.8 Ų | 58.8 | 54% | 0.538 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.2 | -48.5 | 176.3 | -66.9 | 168 | 0 | 0 | 0 | 110.3 | I242 L243 F248 V249 A250 | I242-I246 HydrophobicContact CG2-CD1 3.93Å; I242-I246 WeakPolarHBondContact O-CG1 3.38Å; I242-I246 PolarHBondContact O-N 2.93Å; L243-I246 PolarHBondContact O-N 3.26Å; I246-F248 PolarHBondContact O-N 3.12Å; I246-V249 PolarHBondContact O-N 3.06Å; I246-A250 WeakPolarHBondContact O-CB 3.16Å; I246-A250 PolarHBondContact O-N 3.49Å |
| 247 | A | 94.7 | Very high | 91.5 | Very high | 17 Ų | 17 | 57.1 Ų | 57.1 | 14% | 0.14 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60 | -45 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V226 F231 L243 A250 I251 | V226-A247 HydrophobicContact CG1-CB 4.47Å; F231-A247 HydrophobicContact CE2-CB 3.91Å; F231-A247 HydrophobicContact CZ-CB 4.35Å; L243-A247 WeakPolarHBondContact O-CB 3.48Å; L243-A247 PolarHBondContact O-N 2.87Å; A247-A250 PolarHBondContact O-N 3.44Å; A247-I251 WeakPolarHBondContact O-CB 3.45Å; A247-I251 WeakPolarHBondContact O-CD1 3.31Å; A247-I251 VanDerWaalsContact O-CG1 3.23Å; A247-I251 WeakPolarHBondContact O-CG1 3.42Å; A247-I251 PolarHBondContact O-N 2.87Å |
| 248 | F | 94.6 | Very high | 91.1 | Very high | 47 Ų | 47 | 60.1 Ų | 60.1 | 21% | 0.206 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.2 | -46.8 | 176.7 | 174 | -106.2 | 0 | 0 | 0 | 112.4 | F219 I222 V226 G244 G245 I246 A250 K252 | F219-F248 HydrophobicContact CD2-CD1 4.11Å; F219-F248 HydrophobicContact CD2-CE1 4.19Å; F219-F248 AromaticContact CE2-CD1 3.9Å; F219-F248 HydrophobicContact CE2-CD1 3.9Å; F219-F248 HydrophobicContact CE2-CE1 4.4Å; I222-F248 HydrophobicContact CD1-CE1 4.49Å; I222-F248 HydrophobicContact CD1-CZ 4.05Å; I222-F248 HydrophobicContact CG2-CB 4.47Å; I222-F248 HydrophobicContact CG2-CD1 3.98Å; I222-F248 HydrophobicContact CG2-CD2 3.53Å; I222-F248 HydrophobicContact CG2-CE1 4.04Å; I222-F248 HydrophobicContact CG2-CE2 3.6Å; I222-F248 HydrophobicContact CG2-CG 3.72Å; I222-F248 HydrophobicContact CG2-CZ 3.85Å; V226-F248 HydrophobicContact CG1-CB 4.5Å; V226-F248 HydrophobicContact CG2-CB 4.36Å; V226-F248 HydrophobicContact CG2-CD2 4.47Å; G244-F248 VanDerWaalsContact O-CB 3.32Å; G244-F248 WeakPolarHBondContact O-CB 3.31Å; G244-F248 PolarHBondContact O-N 3.1Å; G245-F248 PolarHBondContact O-N 3.03Å; I246-F248 PolarHBondContact O-N 3.12Å; F248-A250 VanDerWaalsContact C-N 3.34Å; F248-A250 PolarHBondContact O-N 3.39Å; F248-K252 HydrophobicContact CE1-CD 3.99Å; F248-K252 HydrophobicContact CE2-CD 4.44Å; F248-K252 HydrophobicContact CZ-CD 3.77Å; F248-K252 WeakPolarHBondContact O-CB 3.34Å; F248-K252 PolarHBondContact O-N 3.38Å |
| 249 | V | 92.1 | Very high | 90.9 | Very high | 55 Ų | 55 | 62 Ų | 62 | 33% | 0.333 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 177.5 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | W164 F219 G245 I246 G253 | W164-V249 HydrophobicContact CZ2-CG1 3.76Å; F219-V249 HydrophobicContact CE2-CG2 3.62Å; F219-V249 HydrophobicContact CZ-CG2 3.99Å; G245-V249 WeakPolarHBondContact O-CG2 3.42Å; G245-V249 PolarHBondContact O-N 3.29Å; I246-V249 PolarHBondContact O-N 3.06Å; V249-G253 WeakPolarHBondContact O-CA 3.48Å; V249-G253 PolarHBondContact O-N 3.34Å |
| 250 | A | 91.4 | Very high | 90.4 | Very high | 52 Ų | 52 | 58.8 Ų | 58.8 | 43% | 0.43 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.5 | -50.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I246 A247 F248 G253 A254 | I246-A250 WeakPolarHBondContact O-CB 3.16Å; I246-A250 PolarHBondContact O-N 3.49Å; A247-A250 PolarHBondContact O-N 3.44Å; F248-A250 VanDerWaalsContact C-N 3.34Å; F248-A250 PolarHBondContact O-N 3.39Å; A250-G253 PolarHBondContact O-N 3.29Å; A250-A254 WeakPolarHBondContact O-CB 3.29Å; A250-A254 PolarHBondContact O-N 2.93Å |
| 251 | I | 91.8 | Very high | 89.6 | Confident | 75 Ų | 75 | 57.7 Ų | 57.7 | 39% | 0.385 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.1 | -52.1 | -179.6 | -69 | 164.9 | 0 | 0 | 0 | 110.5 | M230 A247 G253 A254 F255 | M230-I251 HydrophobicContact SD-CD1 4.24Å; A247-I251 WeakPolarHBondContact O-CB 3.45Å; A247-I251 WeakPolarHBondContact O-CD1 3.31Å; A247-I251 VanDerWaalsContact O-CG1 3.23Å; A247-I251 WeakPolarHBondContact O-CG1 3.42Å; A247-I251 PolarHBondContact O-N 2.87Å; I251-G253 VanDerWaalsContact C-N 3.29Å; I251-G253 PolarHBondContact O-N 3.1Å; I251-A254 PolarHBondContact O-N 3.33Å; I251-F255 HydrophobicContact CG2-CD2 3.64Å; I251-F255 HydrophobicContact CG2-CE2 3.5Å; I251-F255 WeakPolarHBondContact O-CD2 3.37Å; I251-F255 PolarHBondContact O-N 3.06Å |
| 252 | K | 90.8 | Very high | 89 | Confident | 92 Ų | 92 | 62 Ų | 62 | 40% | 0.4 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.7 | -42.6 | 177.4 | 177.7 | -176 | 173.9 | 174.6 | 0 | 111.5 | F248 F255 K256 | F248-K252 HydrophobicContact CE1-CD 3.99Å; F248-K252 HydrophobicContact CE2-CD 4.44Å; F248-K252 HydrophobicContact CZ-CD 3.77Å; F248-K252 WeakPolarHBondContact O-CB 3.34Å; F248-K252 PolarHBondContact O-N 3.38Å; K252-F255 PolarHBondContact O-N 3.12Å; K252-K256 VanDerWaalsContact O-CB 3.32Å; K252-K256 WeakPolarHBondContact O-CB 3.49Å; K252-K256 PolarHBondContact O-N 3.18Å |
| 253 | G | 88.3 | Confident | 88.5 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.5 | -50.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V249 A250 I251 F255 K256 V257 | V249-G253 WeakPolarHBondContact O-CA 3.48Å; V249-G253 PolarHBondContact O-N 3.34Å; A250-G253 PolarHBondContact O-N 3.29Å; I251-G253 VanDerWaalsContact C-N 3.29Å; I251-G253 PolarHBondContact O-N 3.1Å; G253-F255 PolarHBondContact O-N 3.14Å; G253-K256 PolarHBondContact O-N 3.47Å; G253-V257 WeakPolarHBondContact O-CB 3.45Å; G253-V257 WeakPolarHBondContact O-CG2 3.42Å; G253-V257 PolarHBondContact O-N 3.02Å |
| 254 | A | 87.8 | Confident | 87.7 | Confident | 62 Ų | 62 | 61 Ų | 61 | 51% | 0.512 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.2 | -48.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | A250 I251 K256 V257 Y258 | A250-A254 WeakPolarHBondContact O-CB 3.29Å; A250-A254 PolarHBondContact O-N 2.93Å; I251-A254 PolarHBondContact O-N 3.33Å; A254-K256 VanDerWaalsContact C-N 3.32Å; A254-K256 PolarHBondContact O-N 3.06Å; A254-V257 PolarHBondContact O-N 2.87Å; A254-Y258 VanDerWaalsContact O-CB 3.29Å; A254-Y258 WeakPolarHBondContact O-CB 3.29Å; A254-Y258 PolarHBondContact O-N 3.47Å |
| 255 | F | 88.6 | Confident | 86.9 | Confident | 145 Ų | 145 | 61.8 Ų | 61.8 | 64% | 0.636 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -59.2 | -41.6 | 176.1 | -82.9 | -66 | 0 | 0 | 0 | 112.6 | I251 K252 G253 F259 | I251-F255 HydrophobicContact CG2-CD2 3.64Å; I251-F255 HydrophobicContact CG2-CE2 3.5Å; I251-F255 WeakPolarHBondContact O-CD2 3.37Å; I251-F255 PolarHBondContact O-N 3.06Å; K252-F255 PolarHBondContact O-N 3.12Å; G253-F255 PolarHBondContact O-N 3.14Å; F255-F259 VanDerWaalsContact O-CB 3.3Å; F255-F259 WeakPolarHBondContact O-CB 3.49Å; F255-F259 PolarHBondContact O-N 2.95Å |
| 256 | K | 86.4 | Confident | 86.4 | Confident | 86 Ų | 86 | 71.5 Ų | 71.5 | 37% | 0.374 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -73.6 | -38.3 | -178.5 | -172.3 | 158.3 | 165.1 | -139.7 | 0 | 112.8 | E165 K252 G253 A254 K260 | E165-K256 WeakPolarHBondContact OE1-CD 3.23Å; E165-K256 IonicContact OE1-NZ 2.78Å; E165-K256 PolarHBondContact OE1-NZ 3.21Å; E165-K256 WeakPolarHBondContact OE2-CD 3.36Å; E165-K256 WeakPolarHBondContact OE2-CE 3.25Å; E165-K256 WeakPolarHBondContact OE2-CG 3.42Å; E165-K256 IonicContact OE2-NZ 2.74Å; E165-K256 PolarHBondContact OE2-NZ 2.97Å; K252-K256 VanDerWaalsContact O-CB 3.32Å; K252-K256 WeakPolarHBondContact O-CB 3.49Å; K252-K256 PolarHBondContact O-N 3.18Å; G253-K256 PolarHBondContact O-N 3.47Å; A254-K256 VanDerWaalsContact C-N 3.32Å; A254-K256 PolarHBondContact O-N 3.06Å; K256-K260 WeakPolarHBondContact O-CB 3.49Å; K256-K260 WeakPolarHBondContact O-CG 3.48Å; K256-K260 PolarHBondContact O-N 3.03Å |
| 257 | V | 83.8 | Confident | 85.9 | Confident | 16 Ų | 16 | 71 Ų | 71 | 10% | 0.097 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.4 | -48.6 | 171.5 | 167.6 | 0 | 0 | 0 | 0 | 109.5 | E165 V168 L169 G253 A254 K260 Q261 | E165-V257 HydrophobicContact CB-CG2 4.35Å; V168-V257 HydrophobicContact CG1-CG2 4.49Å; L169-V257 HydrophobicContact CD2-CB 4.37Å; L169-V257 HydrophobicContact CD2-CG1 3.68Å; L169-V257 HydrophobicContact CG-CB 4.48Å; L169-V257 HydrophobicContact CG-CG1 4.09Å; L169-V257 HydrophobicContact CG-CG2 4.2Å; G253-V257 WeakPolarHBondContact O-CB 3.45Å; G253-V257 WeakPolarHBondContact O-CG2 3.42Å; G253-V257 PolarHBondContact O-N 3.02Å; A254-V257 PolarHBondContact O-N 2.87Å; V257-K260 PolarHBondContact O-N 3.35Å; V257-Q261 WeakPolarHBondContact O-CB 3.42Å; V257-Q261 PolarHBondContact O-N 2.86Å |
| 258 | Y | 82.9 | Confident | 85.1 | Confident | 110 Ų | 110 | 70.8 Ų | 70.8 | 43% | 0.431 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.1 | -49.6 | 176.6 | 177.4 | -105.6 | 0 | 0 | 0 | 112.1 | F186 A254 K260 Q261 Q262 | F186-Y258 HydrophobicContact CD1-CD2 4.13Å; F186-Y258 AromaticContact CD1-CE2 3.49Å; F186-Y258 HydrophobicContact CD1-CE2 3.49Å; F186-Y258 VanDerWaalsContact CD1-CE2 3.49Å; F186-Y258 AromaticContact CE1-CD2 3.86Å; F186-Y258 HydrophobicContact CE1-CD2 3.86Å; F186-Y258 AromaticContact CE1-CE2 3.52Å; F186-Y258 HydrophobicContact CE1-CE2 3.52Å; F186-Y258 HydrophobicContact CG-CE2 4.48Å; A254-Y258 VanDerWaalsContact O-CB 3.29Å; A254-Y258 WeakPolarHBondContact O-CB 3.29Å; A254-Y258 PolarHBondContact O-N 3.47Å; Y258-K260 PolarHBondContact O-N 3.36Å; Y258-Q261 WeakPolarHBondContact O-CB 3.31Å; Y258-Q261 PolarHBondContact O-N 2.74Å; Y258-Q262 PolarHBondContact O-N 2.82Å |
| 259 | F | 84.7 | Confident | 84.4 | Confident | 120 Ų | 120 | 73.5 Ų | 73.5 | 53% | 0.526 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.1 | -45 | 178.9 | -178.1 | -101 | 0 | 0 | 0 | 112.4 | F255 Q261 Q262 Q263 | F255-F259 VanDerWaalsContact O-CB 3.3Å; F255-F259 WeakPolarHBondContact O-CB 3.49Å; F255-F259 PolarHBondContact O-N 2.95Å; F259-Q261 VanDerWaalsContact C-N 3.29Å; F259-Q261 PolarHBondContact O-N 3.27Å; F259-Q262 PolarHBondContact O-N 3.16Å; F259-Q263 HydrophobicContact CD1-CG 4.26Å; F259-Q263 HydrophobicContact CE1-CG 3.89Å; F259-Q263 VanDerWaalsContact CE1-OE1 3.3Å; F259-Q263 HydrophobicContact CE2-CG 4.46Å; F259-Q263 HydrophobicContact CZ-CG 4Å; F259-Q263 VanDerWaalsContact CZ-NE2 3.33Å; F259-Q263 WeakPolarHBondContact O-CG 3.4Å; F259-Q263 PolarHBondContact O-N 3.35Å |
| 260 | K | 81.4 | Confident | 84 | Confident | 46 Ų | 46 | 79.3 Ų | 79.3 | 20% | 0.2 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.7 | -39.6 | 175.2 | -82.1 | 178.4 | 172.3 | 173.8 | 0 | 111.7 | E165 D166 L169 K256 V257 Y258 Y264 | E165-K260 IonicContact OE2-NZ 2.91Å; E165-K260 PolarHBondContact OE2-NZ 2.77Å; D166-K260 IonicContact OD1-NZ 3.07Å; D166-K260 PolarHBondContact OD1-NZ 3.1Å; D166-K260 IonicContact OD2-NZ 3.62Å; L169-K260 HydrophobicContact CD1-CB 3.94Å; L169-K260 HydrophobicContact CD1-CD 3.41Å; L169-K260 VanDerWaalsContact CD1-CD 3.41Å; L169-K260 HydrophobicContact CD1-CG 4.34Å; K256-K260 WeakPolarHBondContact O-CB 3.49Å; K256-K260 WeakPolarHBondContact O-CG 3.48Å; K256-K260 PolarHBondContact O-N 3.03Å; V257-K260 PolarHBondContact O-N 3.35Å; Y258-K260 PolarHBondContact O-N 3.36Å; K260-Y264 WeakPolarHBondContact O-CB 3.49Å; K260-Y264 PolarHBondContact O-N 3.31Å |
| 261 | Q | 78.9 | Confident | 83.6 | Confident | 19 Ų | 19 | 85.7 Ų | 85.7 | 9% | 0.089 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.9 | -43.2 | 176.8 | -174.5 | 63 | 12 | 0 | 0 | 111.6 | V257 Y258 F259 Q263 Y264 L265 | V257-Q261 WeakPolarHBondContact O-CB 3.42Å; V257-Q261 PolarHBondContact O-N 2.86Å; Y258-Q261 WeakPolarHBondContact O-CB 3.31Å; Y258-Q261 PolarHBondContact O-N 2.74Å; F259-Q261 VanDerWaalsContact C-N 3.29Å; F259-Q261 PolarHBondContact O-N 3.27Å; Q261-Q263 PolarHBondContact O-N 3.21Å; Q261-Y264 WeakPolarHBondContact O-CB 3.1Å; Q261-Y264 PolarHBondContact O-N 3.04Å; Q261-L265 PolarHBondContact O-N 3.4Å |
| 262 | Q | 80.5 | Confident | 83.3 | Confident | 97 Ų | 97 | 89.4 Ų | 89.4 | 45% | 0.453 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 177.1 | -167.5 | 67.8 | -0.1 | 0 | 0 | 112.2 | Y258 F259 Y264 L265 R266 | Y258-Q262 PolarHBondContact O-N 2.82Å; F259-Q262 PolarHBondContact O-N 3.16Å; Q262-Y264 VanDerWaalsContact C-N 3.34Å; Q262-L265 PolarHBondContact O-N 2.97Å; Q262-R266 WeakPolarHBondContact O-CB 3.35Å; Q262-R266 PolarHBondContact O-N 2.87Å |
| 263 | Q | 83.1 | Confident | 83.2 | Confident | 91 Ų | 91 | 92.2 Ų | 92.2 | 43% | 0.425 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 173.5 | -76 | -171.1 | -42.8 | 0 | 0 | 111.8 | F259 Q261 R266 Q267 | F259-Q263 HydrophobicContact CD1-CG 4.26Å; F259-Q263 HydrophobicContact CE1-CG 3.89Å; F259-Q263 VanDerWaalsContact CE1-OE1 3.3Å; F259-Q263 HydrophobicContact CE2-CG 4.46Å; F259-Q263 HydrophobicContact CZ-CG 4Å; F259-Q263 VanDerWaalsContact CZ-NE2 3.33Å; F259-Q263 WeakPolarHBondContact O-CG 3.4Å; F259-Q263 PolarHBondContact O-N 3.35Å; Q261-Q263 PolarHBondContact O-N 3.21Å; Q263-R266 PolarHBondContact O-N 2.9Å; Q263-Q267 WeakPolarHBondContact O-CB 3.49Å; Q263-Q267 WeakPolarHBondContact O-CG 3.11Å; Q263-Q267 PolarHBondContact O-N 3.42Å |
| 264 | Y | 78.4 | Confident | 83.1 | Confident | 40 Ų | 40 | 99.7 Ų | 99.7 | 16% | 0.157 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -59.2 | -48.3 | 176.2 | 178.1 | -86.1 | 0 | 0 | 0 | 111.5 | V193 P197 K260 Q261 Q262 R266 Q267 A268 | V193-Y264 HydrophobicContact CG1-CE1 3.94Å; V193-Y264 HydrophobicContact CG2-CE1 4.13Å; P197-Y264 HydrophobicContact CG-CD2 3.77Å; P197-Y264 HydrophobicContact CG-CE2 3.71Å; P197-Y264 HydrophobicContact CG-CG 4.43Å; K260-Y264 WeakPolarHBondContact O-CB 3.49Å; K260-Y264 PolarHBondContact O-N 3.31Å; Q261-Y264 WeakPolarHBondContact O-CB 3.1Å; Q261-Y264 PolarHBondContact O-N 3.04Å; Q262-Y264 VanDerWaalsContact C-N 3.34Å; Y264-R266 PolarHBondContact O-N 2.79Å; Y264-Q267 PolarHBondContact O-N 3.02Å; Y264-A268 WeakPolarHBondContact O-CB 3.39Å; Y264-A268 PolarHBondContact O-N 3.08Å |
| 265 | L | 78.2 | Confident | 83 | Confident | 17 Ų | 17 | 105.2 Ų | 105.2 | 9% | 0.089 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 176.6 | -70.7 | 174.7 | 0 | 0 | 0 | 111.7 | Q261 Q262 Q267 A268 H269 | Q261-L265 PolarHBondContact O-N 3.4Å; Q262-L265 PolarHBondContact O-N 2.97Å; L265-Q267 VanDerWaalsContact C-N 3.32Å; L265-Q267 PolarHBondContact O-N 2.74Å; L265-A268 PolarHBondContact O-N 2.75Å; L265-H269 WeakPolarHBondContact O-CB 3.31Å; L265-H269 PolarHBondContact O-CD2 3.28Å; L265-H269 VanDerWaalsContact O-CD2 3.32Å; L265-H269 PolarHBondContact O-N 2.95Å |
| 266 | R | 82.8 | Confident | 83 | Confident | 208 Ų | 208 | 103.2 Ų | 103.2 | 79% | 0.785 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60.7 | -40.7 | 177.6 | -170.5 | 177.4 | -175.9 | 176.9 | 1.6 | 112.3 | Q262 Q263 Y264 R270 | Q262-R266 WeakPolarHBondContact O-CB 3.35Å; Q262-R266 PolarHBondContact O-N 2.87Å; Q263-R266 PolarHBondContact O-N 2.9Å; Y264-R266 PolarHBondContact O-N 2.79Å; R266-R270 PolarHBondContact O-N 2.97Å |
| 267 | Q | 82.8 | Confident | 82.6 | Confident | 95 Ų | 95 | 107.4 Ų | 107.4 | 44% | 0.444 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.3 | -37.8 | 177.2 | -75.3 | -179.9 | -7.6 | 0 | 0 | 112.3 | P197 Q263 Y264 L265 H269 R270 | P197-Q267 HydrophobicContact CB-CB 4.4Å; P197-Q267 HydrophobicContact CG-CB 4.21Å; Q263-Q267 WeakPolarHBondContact O-CB 3.49Å; Q263-Q267 WeakPolarHBondContact O-CG 3.11Å; Q263-Q267 PolarHBondContact O-N 3.42Å; Y264-Q267 PolarHBondContact O-N 3.02Å; L265-Q267 VanDerWaalsContact C-N 3.32Å; L265-Q267 PolarHBondContact O-N 2.74Å; Q267-H269 VanDerWaalsContact C-N 3.35Å; Q267-R270 WeakPolarHBondContact O-CB 3.34Å; Q267-R270 VanDerWaalsContact O-CD 3.31Å; Q267-R270 WeakPolarHBondContact O-CD 3.33Å; Q267-R270 WeakPolarHBondContact O-CG 3.39Å; Q267-R270 PolarHBondContact O-N 3.17Å |
| 268 | A | 78.6 | Confident | 82.4 | Confident | 12 Ų | 12 | 112 Ų | 112 | 10% | 0.099 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -70.6 | -31.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V193 Y264 L265 R270 | V193-A268 HydrophobicContact CG1-CB 3.2Å; Y264-A268 WeakPolarHBondContact O-CB 3.39Å; Y264-A268 PolarHBondContact O-N 3.08Å; L265-A268 PolarHBondContact O-N 2.75Å; A268-R270 VanDerWaalsContact C-N 3.31Å |
| 269 | H | 79 | Confident | 82.1 | Confident | 105 Ų | 105 | 115.8 Ų | 115.8 | 49% | 0.486 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 8.5 | 176.2 | -75.5 | -117.6 | 0 | 0 | 0 | 113.4 | L265 Q267 K271 | L265-H269 WeakPolarHBondContact O-CB 3.31Å; L265-H269 PolarHBondContact O-CD2 3.28Å; L265-H269 VanDerWaalsContact O-CD2 3.32Å; L265-H269 PolarHBondContact O-N 2.95Å; Q267-H269 VanDerWaalsContact C-N 3.35Å; H269-K271 PolarHBondContact O-N 3.2Å |
| 270 | R | 83.3 | Confident | 81.2 | Confident | 176 Ų | 176 | 119.6 Ų | 119.6 | 66% | 0.664 | 57% | 0.569 | S | S | * | * | trans | -63.4 | 126.3 | 178 | 79.4 | -171.1 | -179.2 | -175.9 | 0.6 | 109.5 | R266 Q267 A268 | R266-R270 PolarHBondContact O-N 2.97Å; Q267-R270 WeakPolarHBondContact O-CB 3.34Å; Q267-R270 VanDerWaalsContact O-CD 3.31Å; Q267-R270 WeakPolarHBondContact O-CD 3.33Å; Q267-R270 WeakPolarHBondContact O-CG 3.39Å; Q267-R270 PolarHBondContact O-N 3.17Å; A268-R270 VanDerWaalsContact C-N 3.31Å | ||
| 271 | K | 84 | Confident | 80 | Confident | 186 Ų | 186 | 125.6 Ų | 125.6 | 81% | 0.809 | 63% | 0.627 | S | S | * | * | trans | -104.5 | 132.2 | 171.5 | -66.8 | -176.2 | 178.9 | -177.7 | 0 | 108.4 | H269 | H269-K271 PolarHBondContact O-N 3.2Š| ||
| 272 | I | 85.8 | Confident | 80 | Confident | 154 Ų | 154 | 131 Ų | 131 | 79% | 0.79 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 119.5 | 169.1 | -58.3 | 174 | 0 | 0 | 0 | 105.1 | ||
| 273 | L | 88.4 | Confident | 80 | Confident | 151 Ų | 151 | 132.7 Ų | 132.7 | 79% | 0.791 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -81 | 149.8 | 177.3 | -60.5 | 176.5 | 0 | 0 | 0 | 109.3 | ||
| 274 | N | 85 | Confident | 79.8 | Confident | 158 Ų | 158 | 135.1 Ų | 135.1 | 85% | 0.845 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 152.2 | 172.5 | -65.6 | -21.8 | 0 | 0 | 0 | 109.9 | ||
| 275 | F | 86.7 | Confident | 79.9 | Confident | 178 Ų | 178 | 140.6 Ų | 140.6 | 78% | 0.781 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 133.4 | 170.2 | -171.4 | -95.4 | 0 | 0 | 0 | 108.7 | E277 | F275-E277 PolarHBondContact O-N 2.86Å; F275-E277 VanDerWaalsContact O-N 3.14Å |
| 276 | P | 87.4 | Confident | 80 | Confident | 103 Ų | 103 | 148.4 Ų | 148.4 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | trans | -67.3 | 113.3 | 176.2 | 26.8 | -31.1 | 0 | 0 | 0 | 108.9 | ||||
| 277 | E | 80.1 | Confident | 79.8 | Confident | 173 Ų | 173 | 144.4 Ų | 144.4 | 81% | 0.808 | 74% | 0.744 | S | S | * | * | trans | -69.6 | 131.7 | 167.3 | -71.8 | 178.4 | 170.3 | 0 | 0 | 108.1 | F275 E279 | F275-E277 PolarHBondContact O-N 2.86Å; F275-E277 VanDerWaalsContact O-N 3.14Å; E277-E279 PolarHBondContact O-N 3.47Å | ||
| 278 | P | 79 | Confident | 79.6 | Confident | 114 Ų | 114 | 147.9 Ų | 147.9 | 74% | 0.74 | 77% | 0.766 | S | S | * | * | trans | -63.1 | 122.9 | 172 | 25.7 | -30.4 | 0 | 0 | 0 | 108 | E280 | P278-E280 PolarHBondContact O-N 2.86Š| ||
| 279 | E | 75.2 | Confident | 79.7 | Confident | 188 Ų | 188 | 158.4 Ų | 158.4 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | trans | -54 | 114.3 | 172.8 | -70.7 | 176.8 | 165.4 | 0 | 0 | 108.1 | E277 A281 | E277-E279 PolarHBondContact O-N 3.47Å; E279-A281 PolarHBondContact O-N 3.23Å | ||
| 280 | E | 66.1 | Low | 79.8 | Confident | 201 Ų | 201 | 162.8 Ų | 162.8 | 94% | 0.939 | 85% | 0.845 | S | S | * | * | trans | -63.5 | 101.9 | 170.6 | -71 | -178.2 | 163.5 | 0 | 0 | 107.4 | P278 | P278-E280 PolarHBondContact O-N 2.86Š| ||
| 281 | A | 56.2 | Low | 79.4 | Confident | 172 Ų | 172 | 161.6 Ų | 161.6 | 100% | 1.421 | 86% | 0.861 | S | S | * | * | trans | -81.7 | 0 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | E279 | E279-A281 PolarHBondContact O-N 3.23Š|
Retrieved 281 of 281 residues in 286.2 ms
(Link to these results)