| 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 | 50 | Low | 51.8 | Low | 239 Ų | 239 | 126.5 Ų | 126.5 | 100% | 1.177 | 71% | 0.711 | S | S | * | * | 0 | 135.1 | 0 | -68.1 | -158 | -180 | 0 | 0 | 107.5 | |||||
| 2 | L | 47 | Very low | 52.1 | Low | 178 Ų | 178 | 123 Ų | 123 | 93% | 0.932 | 70% | 0.695 | S | S | * | * | trans | 98.3 | 65.2 | -168.1 | -57.8 | 162.4 | 0 | 0 | 0 | 115.4 | ||||
| 3 | S | 49 | Very low | 52 | Low | 101 Ų | 101 | 120.8 Ų | 120.8 | 71% | 0.706 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -160.6 | 31.3 | 152.5 | 84.1 | 0 | 0 | 0 | 0 | 113.6 | ||
| 4 | L | 49.5 | Very low | 51.8 | Low | 158 Ų | 158 | 121.4 Ų | 121.4 | 83% | 0.827 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -124 | 9.1 | -175.6 | -77.9 | 165.6 | 0 | 0 | 0 | 114.4 | ||
| 5 | S | 54.3 | Low | 51.6 | Low | 84 Ų | 84 | 124.9 Ų | 124.9 | 59% | 0.587 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -99.2 | -6.6 | 175.7 | 52.7 | 0 | 0 | 0 | 0 | 114.3 | ||
| 6 | S | 52.6 | Low | 51.2 | Low | 87 Ų | 87 | 124.7 Ų | 124.7 | 61% | 0.608 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -93.2 | -24.7 | -175.7 | -40 | 0 | 0 | 0 | 0 | 113.9 | ||
| 7 | L | 51.2 | Low | 50.7 | Low | 127 Ų | 127 | 125.2 Ų | 125.2 | 67% | 0.665 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -80.4 | -28.9 | 179 | -101 | 90.5 | 0 | 0 | 0 | 113.4 | I9 L11 | L7-I9 VanDerWaalsContact C-N 3.34Å; L7-L11 PolarHBondContact O-N 3.42Å |
| 8 | S | 54.8 | Low | 50.3 | Low | 83 Ų | 83 | 124.6 Ų | 124.6 | 58% | 0.58 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -73.8 | -24 | 177.8 | -65.8 | 0 | 0 | 0 | 0 | 113.3 | V12 | S8-V12 WeakPolarHBondContact O-CG2 3.26Å; S8-V12 PolarHBondContact O-N 3.25Å |
| 9 | I | 55 | Low | 49.6 | Very low | 112 Ų | 112 | 123.5 Ų | 123.5 | 57% | 0.574 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -79.3 | -34.7 | 176.6 | -60.1 | 173.8 | 0 | 0 | 0 | 110.6 | L7 L13 | L7-I9 VanDerWaalsContact C-N 3.34Å; I9-L13 HydrophobicContact CG2-CD1 4.1Å; I9-L13 WeakPolarHBondContact O-CG 3.32Å; I9-L13 PolarHBondContact O-N 3.23Å; I9-L13 VanDerWaalsContact O-N 3.16Å |
| 10 | L | 53.2 | Low | 49.2 | Very low | 120 Ų | 120 | 126.8 Ų | 126.8 | 63% | 0.628 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -72.6 | -34.8 | 177.6 | -140.8 | 85.5 | 0 | 0 | 0 | 112.7 | L14 | L10-L14 PolarHBondContact O-N 3.16Å |
| 11 | L | 53.1 | Low | 48.7 | Very low | 103 Ų | 103 | 128.6 Ų | 128.6 | 54% | 0.539 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -72.8 | -33.4 | 175.5 | -116.1 | 100.3 | 0 | 0 | 0 | 112.7 | L7 L14 F15 | L7-L11 PolarHBondContact O-N 3.42Å; L11-L14 PolarHBondContact O-N 3.49Å; L11-F15 VanDerWaalsContact O-CD2 3.32Å; L11-F15 WeakPolarHBondContact O-CD2 3.17Å |
| 12 | V | 55 | Low | 48.5 | Very low | 84 Ų | 84 | 122.4 Ų | 122.4 | 51% | 0.509 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -74.6 | -29.9 | 177.2 | 172.5 | 0 | 0 | 0 | 0 | 111.7 | S8 L14 F15 L16 | S8-V12 WeakPolarHBondContact O-CG2 3.26Å; S8-V12 PolarHBondContact O-N 3.25Å; V12-L14 VanDerWaalsContact C-N 3.31Å; V12-L14 PolarHBondContact O-N 3.01Å; V12-F15 PolarHBondContact O-N 3.27Å; V12-L16 HydrophobicContact CG1-CD1 3.99Å; V12-L16 PolarHBondContact O-N 3.36Å |
| 13 | L | 50.9 | Low | 48.6 | Very low | 94 Ų | 94 | 116.1 Ų | 116.1 | 49% | 0.492 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -71.5 | -21.6 | 172.1 | -78.4 | 163.7 | 0 | 0 | 0 | 113.6 | I9 | I9-L13 HydrophobicContact CG2-CD1 4.1Å; I9-L13 WeakPolarHBondContact O-CG 3.32Å; I9-L13 PolarHBondContact O-N 3.23Å; I9-L13 VanDerWaalsContact O-N 3.16Å |
| 14 | L | 50 | Low | 48.9 | Very low | 129 Ų | 129 | 117.1 Ų | 117.1 | 68% | 0.675 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -11.4 | 173.9 | -78.6 | 164.5 | 0 | 0 | 0 | 114 | L10 L11 V12 | L10-L14 PolarHBondContact O-N 3.16Å; L11-L14 PolarHBondContact O-N 3.49Å; V12-L14 VanDerWaalsContact C-N 3.31Å; V12-L14 PolarHBondContact O-N 3.01Å |
| 15 | F | 48.7 | Very low | 49.6 | Very low | 174 Ų | 174 | 118.5 Ų | 118.5 | 76% | 0.763 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -107.5 | -2.2 | 174.4 | -74.4 | -73 | 0 | 0 | 0 | 114.1 | L11 V12 | L11-F15 VanDerWaalsContact O-CD2 3.32Å; L11-F15 WeakPolarHBondContact O-CD2 3.17Å; V12-F15 PolarHBondContact O-N 3.27Å |
| 16 | L | 45.2 | Very low | 51.1 | Low | 122 Ų | 122 | 114.8 Ų | 114.8 | 64% | 0.639 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -107.3 | 7.2 | 177.5 | -74 | 171.6 | 0 | 0 | 0 | 114.1 | V12 | V12-L16 HydrophobicContact CG1-CD1 3.99Å; V12-L16 PolarHBondContact O-N 3.36Å |
| 17 | H | 42.7 | Very low | 53 | Low | 133 Ų | 133 | 116.7 Ų | 116.7 | 62% | 0.616 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -114 | 104.1 | 159.7 | -65 | -16 | 0 | 0 | 0 | 106.4 | S19 | H17-S19 VanDerWaalsContact C-N 3.35Å; H17-S19 PolarHBondContact O-N 3.11Å |
| 18 | P | 42.5 | Very low | 55.1 | Low | 115 Ų | 115 | 111.7 Ų | 111.7 | 75% | 0.747 | 60% | 0.598 | S | S | * | * | trans | -54.6 | 117.4 | 151.1 | 25.7 | -29 | 0 | 0 | 0 | 104.3 | Q20 | P18-Q20 VanDerWaalsContact C-N 3.33Å; P18-Q20 PolarHBondContact O-N 2.88Å | ||
| 19 | S | 38.3 | Very low | 57 | Low | 104 Ų | 104 | 112.9 Ų | 112.9 | 73% | 0.727 | 59% | 0.59 | S | S | * | * | trans | -46.3 | 110.2 | 162 | -34.6 | 0 | 0 | 0 | 0 | 104.4 | H17 L21 | H17-S19 VanDerWaalsContact C-N 3.35Å; H17-S19 PolarHBondContact O-N 3.11Å; S19-L21 PolarHBondContact O-N 3.2Å | ||
| 20 | Q | 41 | Very low | 58.9 | Low | 189 Ų | 189 | 108.4 Ų | 108.4 | 88% | 0.883 | 57% | 0.567 | S | S | * | * | trans | -54.1 | 108.4 | 161.9 | -84.3 | -176.6 | -33.4 | 0 | 0 | 102.9 | P18 S22 | P18-Q20 VanDerWaalsContact C-N 3.33Å; P18-Q20 PolarHBondContact O-N 2.88Å; Q20-S22 PolarHBondContact O-N 3.31Å | ||
| 21 | L | 38.9 | Very low | 60.7 | Low | 164 Ų | 164 | 103.4 Ų | 103.4 | 86% | 0.859 | 54% | 0.544 | S | S | * | . | trans | -45.4 | 117.7 | 166.3 | -98.6 | 94 | 0 | 0 | 0 | 104 | S19 A23 | S19-L21 PolarHBondContact O-N 3.2Å; L21-A23 VanDerWaalsContact C-N 3.35Å; L21-A23 PolarHBondContact O-N 2.84Å | ||
| 22 | S | 44.8 | Very low | 62.3 | Low | 109 Ų | 109 | 99.9 Ų | 99.9 | 76% | 0.762 | 53% | 0.532 | S | S | * | . | trans | -45.8 | 106.7 | 174.1 | 172.2 | 0 | 0 | 0 | 0 | 106.5 | Q20 Q24 | Q20-S22 PolarHBondContact O-N 3.31Å; S22-Q24 VanDerWaalsContact C-N 3.26Å; S22-Q24 PolarHBondContact O-N 2.83Å | ||
| 23 | A | 49.7 | Very low | 63.4 | Low | 47 Ų | 47 | 101 Ų | 101 | 39% | 0.388 | 54% | 0.539 | S | S | . | . | trans | -62.4 | 103.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 103.5 | L21 E25 Q108 | L21-A23 VanDerWaalsContact C-N 3.35Å; L21-A23 PolarHBondContact O-N 2.84Å; A23-E25 PolarHBondContact O-N 3.33Å; A23-Q108 HydrophobicContact CB-CG 3.96Å | ||
| 24 | Q | 56 | Low | 64.4 | Low | 121 Ų | 121 | 99.9 Ų | 99.9 | 57% | 0.565 | 55% | 0.55 | S | S | * | . | trans | -52.8 | 117.5 | -178.1 | -145.4 | 162.2 | 12.4 | 0 | 0 | 106.6 | S22 V26 | S22-Q24 VanDerWaalsContact C-N 3.26Å; S22-Q24 PolarHBondContact O-N 2.83Å; Q24-V26 VanDerWaalsContact C-N 3.35Å; Q24-V26 PolarHBondContact O-N 3.27Å | ||
| 25 | E | 64.4 | Low | 65.9 | Low | 187 Ų | 187 | 97.5 Ų | 97.5 | 87% | 0.874 | 53% | 0.532 | S | S | * | . | trans | -67.7 | 96.4 | -174.6 | -168.5 | 174.7 | -169.1 | 0 | 0 | 108.2 | A23 | A23-E25 PolarHBondContact O-N 3.33Š| ||
| 26 | V | 85.6 | Confident | 67.1 | Low | 7 Ų | 7 | 99.3 Ų | 99.3 | 4% | 0.042 | 53% | 0.534 | C | S | . | . | trans | -86.7 | 133.1 | 180 | -73.3 | 0 | 0 | 0 | 0 | 110.3 | Q24 V45 Y47 Q70 V106 A107 W114 | Q24-V26 VanDerWaalsContact C-N 3.35Å; Q24-V26 PolarHBondContact O-N 3.27Å; V26-V45 HydrophobicContact CB-CG1 3.95Å; V26-V45 HydrophobicContact CG1-CG1 4.44Å; V26-V45 HydrophobicContact CG2-CG1 4.2Å; V26-Y47 HydrophobicContact CG1-CD2 3.91Å; V26-Q70 PolarHBondContact O-NE2 3.48Å; V26-V106 HydrophobicContact CG2-CG1 4.14Å; V26-A107 HydrophobicContact CG2-CB 3.52Å; V26-W114 HydrophobicContact CB-CH2 4.36Å; V26-W114 HydrophobicContact CG1-CH2 3.65Å; V26-W114 HydrophobicContact CG1-CZ2 3.98Å; V26-W114 HydrophobicContact CG2-CH2 4.21Å | ||
| 27 | Q | 91.8 | Very high | 68.8 | Low | 127 Ų | 127 | 97.8 Ų | 97.8 | 59% | 0.593 | 53% | 0.526 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 143.1 | 174.6 | -64.3 | -179.4 | 11.6 | 0 | 0 | 109.6 | V45 L46 W51 | Q27-V45 WeakPolarHBondContact O-CA 3.35Å; Q27-L46 HydrophobicContact CB-CB 4.17Å; Q27-L46 HydrophobicContact CB-CD2 4.46Å; Q27-L46 PolarHBondContact O-N 2.96Å; Q27-W51 HydrophobicContact CB-CH2 4.31Å |
| 28 | I | 95.4 | Very high | 70.8 | Confident | 21 Ų | 21 | 92.5 Ų | 92.5 | 11% | 0.108 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 149.4 | 175.4 | 63.4 | 170.3 | 0 | 0 | 0 | 110.2 | E44 V45 L67 Q70 L71 V106 | I28-E44 CarbonylContact C-O 3.15Å; I28-E44 VanDerWaalsContact CA-O 3.23Å; I28-E44 WeakPolarHBondContact CA-O 3.32Å; I28-V45 HydrophobicContact CG2-CB 4.28Å; I28-V45 HydrophobicContact CG2-CG1 4.13Å; I28-V45 HydrophobicContact CG2-CG2 3.86Å; I28-L67 HydrophobicContact CD1-CB 4.48Å; I28-L67 HydrophobicContact CD1-CD2 3.9Å; I28-L67 WeakPolarHBondContact CD1-O 3.15Å; I28-Q70 HydrophobicContact CD1-CB 3.75Å; I28-Q70 HydrophobicContact CD1-CG 3.7Å; I28-Q70 HydrophobicContact CG1-CB 4.44Å; I28-Q70 HydrophobicContact CG1-CG 3.92Å; I28-L71 HydrophobicContact CD1-CD1 4.2Å; I28-L71 HydrophobicContact CD1-CD2 4.14Å; I28-L71 HydrophobicContact CD1-CG 3.63Å; I28-L71 HydrophobicContact CG1-CD2 3.77Å; I28-L71 HydrophobicContact CG1-CG 3.83Å; I28-L71 WeakPolarHBondContact O-CD2 3.3Å; I28-V106 HydrophobicContact CG2-CG1 4.08Å |
| 29 | R | 94.5 | Very high | 73.2 | Confident | 108 Ų | 108 | 88 Ų | 88 | 41% | 0.408 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 160.9 | 175.4 | 73.7 | -177 | 179.9 | -177.3 | -0.1 | 111.6 | E44 W51 | R29-E44 HydrophobicContact CG-CB 4Å; R29-E44 IonicContact CZ-OE2 3.65Å; R29-E44 VanDerWaalsContact CZ-OE2 3.26Å; R29-E44 PolarHBondContact N-O 2.04Å; R29-E44 IonicContact NE-OE2 2.79Å; R29-E44 PolarHBondContact NE-OE2 3.13Å; R29-E44 IonicContact NH2-OE2 3Å; R29-E44 PolarHBondContact NH2-OE2 3.03Å; R29-E44 PolarHBondContact O-N 3.42Å; R29-W51 HydrophobicContact CB-CH2 3.83Å; R29-W51 HydrophobicContact CB-CZ3 4Å; R29-W51 HydrophobicContact CG-CE3 3.95Å; R29-W51 HydrophobicContact CG-CH2 3.68Å; R29-W51 HydrophobicContact CG-CZ2 4.27Å; R29-W51 HydrophobicContact CG-CZ3 3.51Å |
| 30 | L | 94.9 | Very high | 75.9 | Confident | 18 Ų | 18 | 84 Ų | 84 | 9% | 0.094 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 122.6 | 169 | -61.9 | 179.8 | 0 | 0 | 0 | 109.5 | R35 R42 V43 L71 F73 V127 | L30-R35 PolarHBondContact O-NH1 3.39Å; L30-R42 WeakPolarHBondContact CA-O 3.4Å; L30-V43 HydrophobicContact CD2-CG2 4.2Å; L30-L71 HydrophobicContact CD1-CD1 3.98Å; L30-L71 HydrophobicContact CD2-CD1 3.58Å; L30-L71 HydrophobicContact CG-CD1 3.63Å; L30-L71 HydrophobicContact CG-CD2 4.24Å; L30-F73 HydrophobicContact CD1-CE2 4.41Å; L30-V127 HydrophobicContact CD2-CG2 3.52Å |
| 31 | A | 91.5 | Very high | 78.5 | Confident | 16 Ų | 16 | 75 Ų | 75 | 13% | 0.132 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | -179.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | G41 R42 E44 | A31-G41 CarbonylContact O-C 3.56Å; A31-G41 WeakPolarHBondContact O-CA 3.44Å; A31-R42 PolarHBondContact N-O 3.1Å; A31-R42 PolarHBondContact O-N 3.25Å; A31-E44 HydrophobicContact CB-CG 4.22Å; A31-E44 WeakPolarHBondContact CB-OE1 3.48Å |
| 32 | G | 86.3 | Confident | 81.3 | Confident | 28 Ų | 28 | 68.3 Ų | 68.3 | 29% | 0.289 | 37% | 0.366 | S | S | . | . | trans | 104.2 | 171.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | R35 F85 | G32-R35 VanDerWaalsContact O-CD 3.24Å; G32-R35 WeakPolarHBondContact O-CD 2.93Å; G32-F85 CarbonylContact C-O 3.36Å; G32-F85 WeakPolarHBondContact CA-O 3.3Å | ||
| 33 | V | 78.8 | Confident | 83.8 | Confident | 109 Ų | 109 | 63.1 Ų | 63.1 | 66% | 0.661 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -95.6 | 159.2 | -176.5 | -64.7 | 0 | 0 | 0 | 0 | 110.9 | R35 F85 | V33-R35 VanDerWaalsContact C-N 3.3Å; V33-R35 PolarHBondContact O-N 3.07Å; V33-F85 PolarHBondContact N-O 2.98Å; V33-F85 CarbonylContact O-C 3.57Å; V33-F85 WeakPolarHBondContact O-CA 3.47Å |
| 34 | G | 71 | Confident | 86.1 | Confident | 70 Ų | 70 | 61.6 Ų | 61.6 | 72% | 0.722 | 32% | 0.315 | S | S | * | . | S | Bend | trans | 74.8 | 15.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 35 | R | 81.6 | Confident | 88 | Confident | 78 Ų | 78 | 55.9 Ų | 55.9 | 29% | 0.294 | 29% | 0.288 | S | S | . | . | trans | -70.9 | 124.1 | 173.8 | -59.1 | 171.7 | 66.8 | -171.8 | 5 | 109.5 | L30 G32 V33 A38 E40 F85 | L30-R35 PolarHBondContact O-NH1 3.39Å; G32-R35 VanDerWaalsContact O-CD 3.24Å; G32-R35 WeakPolarHBondContact O-CD 2.93Å; V33-R35 VanDerWaalsContact C-N 3.3Å; V33-R35 PolarHBondContact O-N 3.07Å; R35-A38 PolarHBondContact NH2-O 2.85Å; R35-E40 PolarHBondContact NE-O 3.42Å; R35-E40 PolarHBondContact NH2-O 3.02Å; R35-F85 HydrophobicContact CG-CD1 4.21Å | ||
| 36 | R | 74.9 | Confident | 89.4 | Confident | 213 Ų | 213 | 49.1 Ų | 49.1 | 80% | 0.804 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -88.1 | -26.6 | 175.1 | -58.7 | -176.6 | 176.6 | -154.3 | -2.3 | 112.2 | E40 | R36-E40 WeakPolarHBondContact CA-OE1 3.29Å; R36-E40 VanDerWaalsContact CB-OE1 3.27Å; R36-E40 WeakPolarHBondContact CB-OE1 3.41Å; R36-E40 PolarHBondContact N-OE1 2.79Å |
| 37 | N | 80.3 | Confident | 89.7 | Confident | 90 Ų | 90 | 51.2 Ų | 51.2 | 48% | 0.481 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -143.8 | 162.8 | -178.6 | -61.9 | -60.6 | 0 | 0 | 0 | 111.5 | N39 E40 | N37-N39 WeakPolarHBondContact CB-OD1 3.04Å; N37-N39 PolarHBondContact O-N 2.83Å; N37-E40 WeakPolarHBondContact O-CG 3.33Å; N37-E40 PolarHBondContact O-N 3.05Å |
| 38 | A | 84.6 | Confident | 89.5 | Confident | 22 Ų | 22 | 51.9 Ų | 51.9 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -18 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | R35 A140 L142 | R35-A38 PolarHBondContact NH2-O 2.85Å; A38-A140 HydrophobicContact CB-CB 3.85Å; A38-L142 HydrophobicContact CB-CD2 3.97Å; A38-L142 HydrophobicContact CB-CG 4.39Å |
| 39 | N | 92.9 | Very high | 89.1 | Confident | 19 Ų | 19 | 54.6 Ų | 54.6 | 10% | 0.102 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 8.5 | -178.8 | 62 | -52.3 | 0 | 0 | 0 | 114.5 | N37 F73 C129 | N37-N39 WeakPolarHBondContact CB-OD1 3.04Å; N37-N39 PolarHBondContact O-N 2.83Å; N39-F73 VanDerWaalsContact CA-CZ 3.48Å; N39-F73 HydrophobicContact CB-CD1 4Å; N39-F73 HydrophobicContact CB-CE1 3.44Å; N39-F73 VanDerWaalsContact CB-CE1 3.44Å; N39-F73 HydrophobicContact CB-CE2 4.25Å; N39-F73 HydrophobicContact CB-CZ 3.59Å; N39-C129 HydrophobicContact CB-CB 4.19Å; N39-C129 PolarHBondContact ND2-O 3.09Å; N39-C129 WeakPolarHBondContact O-CB 3.48Å; N39-C129 PolarHBondContact O-N 3.28Å |
| 40 | E | 94.8 | Very high | 88.9 | Confident | 21 Ų | 21 | 51.7 Ų | 51.7 | 10% | 0.098 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 150.9 | 175 | 59.4 | 177.9 | -156.2 | 0 | 0 | 112.1 | R35 R36 N37 F85 V127 I128 | R35-E40 PolarHBondContact NE-O 3.42Å; R35-E40 PolarHBondContact NH2-O 3.02Å; R36-E40 WeakPolarHBondContact CA-OE1 3.29Å; R36-E40 VanDerWaalsContact CB-OE1 3.27Å; R36-E40 WeakPolarHBondContact CB-OE1 3.41Å; R36-E40 PolarHBondContact N-OE1 2.79Å; N37-E40 WeakPolarHBondContact O-CG 3.33Å; N37-E40 PolarHBondContact O-N 3.05Å; E40-F85 HydrophobicContact CB-CE1 4.14Å; E40-F85 HydrophobicContact CB-CZ 3.83Å; E40-F85 HydrophobicContact CG-CE1 4.13Å; E40-F85 HydrophobicContact CG-CZ 4.3Å; E40-V127 VanDerWaalsContact CA-O 3.28Å; E40-V127 WeakPolarHBondContact CA-O 3.1Å; E40-I128 HydrophobicContact CB-CB 4.33Å; E40-I128 HydrophobicContact CB-CG1 4Å; E40-I128 HydrophobicContact CB-CG2 4.25Å |
| 41 | G | 95.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.1 | 174.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | A31 F85 G126 V127 | A31-G41 CarbonylContact O-C 3.56Å; A31-G41 WeakPolarHBondContact O-CA 3.44Å; G41-F85 WeakPolarHBondContact O-CD2 3.34Å; G41-G126 CarbonylContact O-C 3.59Å; G41-G126 WeakPolarHBondContact O-CA 3.13Å; G41-V127 PolarHBondContact N-O 3.04Å; G41-V127 VanDerWaalsContact N-O 3.13Å; G41-V127 PolarHBondContact O-N 3.08Å |
| 42 | R | 97.9 | Very high | 89.1 | Confident | 23 Ų | 23 | 53.9 Ų | 53.9 | 9% | 0.087 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 136.3 | 168.7 | -177 | 179.1 | 60 | -109.7 | 1.8 | 109.2 | L30 A31 E44 F85 G86 Q87 D124 | L30-R42 WeakPolarHBondContact CA-O 3.4Å; A31-R42 PolarHBondContact N-O 3.1Å; A31-R42 PolarHBondContact O-N 3.25Å; R42-E44 IonicContact CZ-OE1 4Å; R42-E44 IonicContact NE-OE1 2.78Å; R42-E44 PolarHBondContact NE-OE1 3.2Å; R42-E44 IonicContact NH2-OE1 3.79Å; R42-E44 PolarHBondContact NH2-OE1 3.06Å; R42-F85 HydrophobicContact CB-CB 4.07Å; R42-F85 PolarHBondContact NH1-O 3.22Å; R42-G86 WeakPolarHBondContact CD-O 3.14Å; R42-G86 PolarHBondContact NH1-O 3.16Å; R42-Q87 PolarHBondContact NH1-O 3.34Å; R42-D124 HydrophobicContact CG-CB 4.05Å |
| 43 | V | 97.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 121.9 | -179.4 | -179.1 | 0 | 0 | 0 | 0 | 109.3 | L30 V54 L67 L125 V127 | L30-V43 HydrophobicContact CD2-CG2 4.2Å; V43-V54 HydrophobicContact CB-CG2 4.37Å; V43-V54 HydrophobicContact CG1-CG2 3.84Å; V43-L67 HydrophobicContact CG1-CD1 4.33Å; V43-L67 HydrophobicContact CG1-CD2 3.86Å; V43-L67 HydrophobicContact CG2-CD1 4.18Å; V43-L125 PolarHBondContact N-O 3.1Å; V43-V127 HydrophobicContact CG2-CB 4.25Å; V43-V127 HydrophobicContact CG2-CG1 3.82Å; V43-V127 HydrophobicContact CG2-CG2 3.68Å |
| 44 | E | 97.2 | Very high | 90.5 | Very high | 16 Ų | 16 | 47.4 Ų | 47.4 | 8% | 0.075 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 139.6 | 170.7 | -67.5 | 178.6 | -176.9 | 0 | 0 | 109.3 | I28 R29 A31 R42 W51 G52 T53 | I28-E44 CarbonylContact C-O 3.15Å; I28-E44 VanDerWaalsContact CA-O 3.23Å; I28-E44 WeakPolarHBondContact CA-O 3.32Å; R29-E44 HydrophobicContact CG-CB 4Å; R29-E44 IonicContact CZ-OE2 3.65Å; R29-E44 VanDerWaalsContact CZ-OE2 3.26Å; R29-E44 PolarHBondContact N-O 2.04Å; R29-E44 IonicContact NE-OE2 2.79Å; R29-E44 PolarHBondContact NE-OE2 3.13Å; R29-E44 IonicContact NH2-OE2 3Å; R29-E44 PolarHBondContact NH2-OE2 3.03Å; R29-E44 PolarHBondContact O-N 3.42Å; A31-E44 HydrophobicContact CB-CG 4.22Å; A31-E44 WeakPolarHBondContact CB-OE1 3.48Å; R42-E44 IonicContact CZ-OE1 4Å; R42-E44 IonicContact NE-OE1 2.78Å; R42-E44 PolarHBondContact NE-OE1 3.2Å; R42-E44 IonicContact NH2-OE1 3.79Å; R42-E44 PolarHBondContact NH2-OE1 3.06Å; E44-W51 HydrophobicContact CB-CE3 3.78Å; E44-W51 HydrophobicContact CB-CZ3 4.33Å; E44-W51 WeakPolarHBondContact O-CZ3 3.34Å; E44-G52 CarbonylContact C-O 3.59Å; E44-G52 VanDerWaalsContact CA-O 3.32Å; E44-G52 WeakPolarHBondContact CA-O 3.48Å; E44-T53 HydrophobicContact CG-CG2 4.11Å |
| 45 | V | 96.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 131.6 | 179.7 | -173.3 | 0 | 0 | 0 | 0 | 108.8 | V26 Q27 I28 W51 G52 V54 L94 V106 W114 | V26-V45 HydrophobicContact CB-CG1 3.95Å; V26-V45 HydrophobicContact CG1-CG1 4.44Å; V26-V45 HydrophobicContact CG2-CG1 4.2Å; Q27-V45 WeakPolarHBondContact O-CA 3.35Å; I28-V45 HydrophobicContact CG2-CB 4.28Å; I28-V45 HydrophobicContact CG2-CG1 4.13Å; I28-V45 HydrophobicContact CG2-CG2 3.86Å; V45-W51 VanDerWaalsContact C-CE3 3.49Å; V45-W51 WeakPolarHBondContact O-CA 3.41Å; V45-G52 PolarHBondContact N-O 3.08Å; V45-G52 PolarHBondContact O-N 3.2Å; V45-V54 HydrophobicContact CG2-CG2 3.52Å; V45-L94 HydrophobicContact CG2-CD1 3.97Å; V45-V106 HydrophobicContact CG2-CG1 4.49Å; V45-W114 HydrophobicContact CG1-CH2 4.14Å; V45-W114 HydrophobicContact CG1-CZ3 3.98Å |
| 46 | L | 94 | Very high | 92.3 | Very high | 45 Ų | 45 | 41.3 Ų | 41.3 | 24% | 0.236 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 111.3 | 173.6 | -177.8 | 61.4 | 0 | 0 | 0 | 109 | Q27 W51 | Q27-L46 HydrophobicContact CB-CB 4.17Å; Q27-L46 HydrophobicContact CB-CD2 4.46Å; Q27-L46 PolarHBondContact O-N 2.96Å; L46-W51 HydrophobicContact CB-CD2 3.93Å; L46-W51 HydrophobicContact CB-CE3 3.84Å; L46-W51 HydrophobicContact CB-CH2 3.84Å; L46-W51 HydrophobicContact CB-CZ2 3.92Å; L46-W51 HydrophobicContact CB-CZ3 3.78Å; L46-W51 HydrophobicContact CD1-CD2 4.17Å; L46-W51 HydrophobicContact CD1-CG 4.13Å; L46-W51 HydrophobicContact CD2-CZ2 4.18Å; L46-W51 HydrophobicContact CG-CZ2 4.49Å |
| 47 | Y | 91.6 | Very high | 93.1 | Very high | 51 Ų | 51 | 34 Ų | 34 | 20% | 0.2 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 136.8 | 177.3 | -176.8 | -104.9 | 0 | 0 | 0 | 110.4 | V26 G49 S50 W93 W114 | V26-Y47 HydrophobicContact CG1-CD2 3.91Å; Y47-G49 VanDerWaalsContact C-N 3.25Å; Y47-G49 PolarHBondContact O-N 3.26Å; Y47-S50 PolarHBondContact N-O 2.96Å; Y47-S50 VanDerWaalsContact N-O 3.12Å; Y47-S50 PolarHBondContact O-N 3.37Å; Y47-S50 VanDerWaalsContact O-N 3.09Å; Y47-S50 PolarHBondContact O-OG 3.49Å; Y47-W93 HydrophobicContact CD1-CD2 4.43Å; Y47-W93 HydrophobicContact CD1-CE3 4.23Å; Y47-W93 HydrophobicContact CD1-CZ3 4.28Å; Y47-W114 HydrophobicContact CD1-CB 4.08Å; Y47-W114 AromaticContact CD1-CD2 3.76Å; Y47-W114 HydrophobicContact CD1-CD2 3.76Å; Y47-W114 AromaticContact CD1-CE3 3.66Å; Y47-W114 HydrophobicContact CD1-CE3 3.66Å; Y47-W114 AromaticContact CD1-CG 3.96Å; Y47-W114 HydrophobicContact CD1-CG 3.96Å; Y47-W114 HydrophobicContact CD1-CZ3 4.39Å; Y47-W114 AromaticContact CD2-CD2 3.71Å; Y47-W114 HydrophobicContact CD2-CD2 3.71Å; Y47-W114 AromaticContact CD2-CE2 3.68Å; Y47-W114 AromaticContact CD2-CE3 3.79Å; Y47-W114 HydrophobicContact CD2-CE3 3.79Å; Y47-W114 HydrophobicContact CD2-CG 4.4Å; Y47-W114 AromaticContact CD2-CH2 3.92Å; Y47-W114 HydrophobicContact CD2-CH2 3.92Å; Y47-W114 AromaticContact CD2-CZ2 3.8Å; Y47-W114 HydrophobicContact CD2-CZ2 3.8Å; Y47-W114 AromaticContact CD2-CZ3 3.89Å; Y47-W114 HydrophobicContact CD2-CZ3 3.89Å; Y47-W114 HydrophobicContact CE1-CB 3.56Å; Y47-W114 AromaticContact CE1-CD1 3.97Å; Y47-W114 AromaticContact CE1-CD2 3.72Å; Y47-W114 HydrophobicContact CE1-CD2 3.72Å; Y47-W114 HydrophobicContact CE1-CE3 4.12Å; Y47-W114 AromaticContact CE1-CG 3.46Å; Y47-W114 HydrophobicContact CE1-CG 3.46Å; Y47-W114 VanDerWaalsContact CE1-CG 3.46Å; Y47-W114 AromaticContact CE2-CD1 3.9Å; Y47-W114 AromaticContact CE2-CD2 3.67Å; Y47-W114 HydrophobicContact CE2-CD2 3.67Å; Y47-W114 AromaticContact CE2-CE2 3.48Å; Y47-W114 VanDerWaalsContact CE2-CE2 3.48Å; Y47-W114 HydrophobicContact CE2-CE3 4.24Å; Y47-W114 AromaticContact CE2-CG 3.96Å; Y47-W114 HydrophobicContact CE2-CG 3.96Å; Y47-W114 AromaticContact CE2-CZ2 3.96Å; Y47-W114 HydrophobicContact CE2-CZ2 3.96Å; Y47-W114 AromaticContact CE2-NE1 3.59Å; Y47-W114 AromaticContact CG-CD2 3.76Å; Y47-W114 HydrophobicContact CG-CD2 3.76Å; Y47-W114 AromaticContact CG-CE3 3.48Å; Y47-W114 HydrophobicContact CG-CE3 3.48Å; Y47-W114 VanDerWaalsContact CG-CE3 3.48Å; Y47-W114 HydrophobicContact CG-CG 4.4Å; Y47-W114 HydrophobicContact CG-CH2 4.26Å; Y47-W114 HydrophobicContact CG-CZ2 4.46Å; Y47-W114 AromaticContact CG-CZ3 3.75Å; Y47-W114 HydrophobicContact CG-CZ3 3.75Å; Y47-W114 AromaticContact CZ-CD1 3.47Å; Y47-W114 VanDerWaalsContact CZ-CD1 3.47Å; Y47-W114 AromaticContact CZ-CD2 3.67Å; Y47-W114 AromaticContact CZ-CE2 3.86Å; Y47-W114 AromaticContact CZ-CG 3.45Å; Y47-W114 VanDerWaalsContact CZ-CG 3.45Å; Y47-W114 AromaticContact CZ-NE1 3.69Å |
| 48 | N | 86.9 | Confident | 93.4 | Very high | 142 Ų | 142 | 34.8 Ų | 34.8 | 76% | 0.759 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 42 | -178.6 | -160.5 | 25.2 | 0 | 0 | 0 | 114.2 | S50 | N48-S50 VanDerWaalsContact C-N 3.33Å; N48-S50 PolarHBondContact O-N 3.33Å |
| 49 | G | 87 | Confident | 93.6 | Very high | 77 Ų | 77 | 34.5 Ų | 34.5 | 79% | 0.794 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | 5.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116 | Y47 | Y47-G49 VanDerWaalsContact C-N 3.25Å; Y47-G49 PolarHBondContact O-N 3.26Å |
| 50 | S | 90.3 | Very high | 93.3 | Very high | 48 Ų | 48 | 36.1 Ų | 36.1 | 34% | 0.336 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 138.9 | 179.7 | 50.2 | 0 | 0 | 0 | 0 | 113.3 | Y47 N48 W93 | Y47-S50 PolarHBondContact N-O 2.96Å; Y47-S50 VanDerWaalsContact N-O 3.12Å; Y47-S50 PolarHBondContact O-N 3.37Å; Y47-S50 VanDerWaalsContact O-N 3.09Å; Y47-S50 PolarHBondContact O-OG 3.49Å; N48-S50 VanDerWaalsContact C-N 3.33Å; N48-S50 PolarHBondContact O-N 3.33Å; S50-W93 PolarHBondContact O-NE1 2.84Å; S50-W93 WeakPolarHBondContact OG-CZ2 3.49Å |
| 51 | W | 96 | Very high | 93.2 | Very high | 79 Ų | 79 | 38.5 Ų | 38.5 | 30% | 0.299 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 141.7 | 174.6 | -71.7 | 99.5 | 0 | 0 | 0 | 110.5 | Q27 R29 E44 V45 L46 | Q27-W51 HydrophobicContact CB-CH2 4.31Å; R29-W51 HydrophobicContact CB-CH2 3.83Å; R29-W51 HydrophobicContact CB-CZ3 4Å; R29-W51 HydrophobicContact CG-CE3 3.95Å; R29-W51 HydrophobicContact CG-CH2 3.68Å; R29-W51 HydrophobicContact CG-CZ2 4.27Å; R29-W51 HydrophobicContact CG-CZ3 3.51Å; E44-W51 HydrophobicContact CB-CE3 3.78Å; E44-W51 HydrophobicContact CB-CZ3 4.33Å; E44-W51 WeakPolarHBondContact O-CZ3 3.34Å; V45-W51 VanDerWaalsContact C-CE3 3.49Å; V45-W51 WeakPolarHBondContact O-CA 3.41Å; L46-W51 HydrophobicContact CB-CD2 3.93Å; L46-W51 HydrophobicContact CB-CE3 3.84Å; L46-W51 HydrophobicContact CB-CH2 3.84Å; L46-W51 HydrophobicContact CB-CZ2 3.92Å; L46-W51 HydrophobicContact CB-CZ3 3.78Å; L46-W51 HydrophobicContact CD1-CD2 4.17Å; L46-W51 HydrophobicContact CD1-CG 4.13Å; L46-W51 HydrophobicContact CD2-CZ2 4.18Å; L46-W51 HydrophobicContact CG-CZ2 4.49Å |
| 52 | G | 95.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 164.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | E44 V45 R91 W93 | E44-G52 CarbonylContact C-O 3.59Å; E44-G52 VanDerWaalsContact CA-O 3.32Å; E44-G52 WeakPolarHBondContact CA-O 3.48Å; V45-G52 PolarHBondContact N-O 3.08Å; V45-G52 PolarHBondContact O-N 3.2Å; G52-R91 CarbonylContact C-O 3.54Å; G52-R91 WeakPolarHBondContact CA-O 3.47Å; G52-W93 VanDerWaalsContact N-CD1 3.29Å |
| 53 | T | 97.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 173.8 | -170.2 | 55.1 | 0 | 0 | 0 | 0 | 112.6 | E44 R91 I92 W93 H121 D124 | E44-T53 HydrophobicContact CG-CG2 4.11Å; T53-R91 PolarHBondContact N-O 2.89Å; T53-I92 CarbonylContact O-C 3.59Å; T53-I92 WeakPolarHBondContact OG1-CG1 3.39Å; T53-W93 PolarHBondContact O-N 2.8Å; T53-H121 PolarHBondContact OG1-CE1 3.44Å; T53-H121 PolarHBondContact OG1-ND1 2.75Å; T53-D124 WeakPolarHBondContact CB-OD1 3.05Å; T53-D124 HydrophobicContact CG2-CB 4.49Å; T53-D124 WeakPolarHBondContact CG2-OD2 3.34Å; T53-D124 PolarHBondContact OG1-OD1 3.41Å |
| 54 | V | 97.1 | Very high | 93 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 133.4 | 175.6 | -178.6 | 0 | 0 | 0 | 0 | 107.2 | V43 V45 L94 V97 L125 | V43-V54 HydrophobicContact CB-CG2 4.37Å; V43-V54 HydrophobicContact CG1-CG2 3.84Å; V45-V54 HydrophobicContact CG2-CG2 3.52Å; V54-L94 CarbonylContact C-O 3.45Å; V54-L94 WeakPolarHBondContact CA-O 3.37Å; V54-L94 HydrophobicContact CB-CB 4.43Å; V54-L94 HydrophobicContact CG1-CB 3.97Å; V54-L94 HydrophobicContact CG2-CB 4.18Å; V54-L94 HydrophobicContact CG2-CD1 4.08Å; V54-L94 HydrophobicContact CG2-CG 4.48Å; V54-V97 HydrophobicContact CG1-CG2 4.08Å; V54-L125 HydrophobicContact CB-CB 4.15Å; V54-L125 HydrophobicContact CB-CD2 4.28Å; V54-L125 HydrophobicContact CG1-CB 4.25Å; V54-L125 HydrophobicContact CG1-CD2 3.72Å; V54-L125 WeakPolarHBondContact O-CB 3.37Å; V54-L125 PolarHBondContact O-N 3.14Å |
| 55 | C | 96.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -74.9 | 149.3 | 174.8 | -174.1 | 0 | 0 | 0 | 0 | 111.1 | D57 I92 L94 D95 C119 E123 | C55-D57 VanDerWaalsContact C-N 3.32Å; C55-I92 HydrophobicContact CB-CG2 4.08Å; C55-L94 PolarHBondContact N-O 3.45Å; C55-D95 HydrophobicContact CB-CB 4.03Å; C55-C119 HydrophobicContact CB-CB 3.75Å; C55-C119 WeakPolarHBondContact CB-SG 3.29Å; C55-C119 WeakPolarHBondContact SG-CB 3.35Å; C55-C119 CovalentContact SG-SG 2.02Å; C55-C119 PolarHBondContact SG-SG 3.33Å; C55-E123 CarbonylContact C-O 3.49Å; C55-E123 WeakPolarHBondContact CA-O 3.27Å |
| 56 | D | 94 | Very high | 93 | Very high | 21 Ų | 21 | 43.8 Ų | 43.8 | 11% | 0.112 | 24% | 0.238 | C | C | . | . | trans | -89 | 7.4 | -178.8 | 65.5 | -0.5 | 0 | 0 | 0 | 115 | V59 H81 S82 E123 L125 | D56-V59 VanDerWaalsContact O-CG2 3.3Å; D56-V59 WeakPolarHBondContact O-CG2 3.41Å; D56-H81 HydrophobicContact CB-CB 4.12Å; D56-H81 VanDerWaalsContact OD2-C 3.32Å; D56-H81 WeakPolarHBondContact OD2-CA 3.44Å; D56-H81 WeakPolarHBondContact OD2-CB 3.49Å; D56-S82 PolarHBondContact OD2-N 2.88Å; D56-E123 WeakPolarHBondContact CB-O 3.25Å; D56-E123 PolarHBondContact N-O 2.04Å; D56-E123 WeakPolarHBondContact OD1-CB 3.44Å; D56-E123 VanDerWaalsContact OD1-O 3.13Å; D56-L125 HydrophobicContact CB-CB 4.14Å; D56-L125 HydrophobicContact CB-CD1 4.08Å | ||
| 57 | D | 91.4 | Very high | 93.1 | Very high | 58 Ų | 58 | 41.6 Ų | 41.6 | 31% | 0.31 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 130.5 | 174 | -91.6 | -1.2 | 0 | 0 | 0 | 113.4 | C55 V59 | C55-D57 VanDerWaalsContact C-N 3.32Å; D57-V59 PolarHBondContact O-N 3.29Å; D57-V59 VanDerWaalsContact O-N 3.14Å |
| 58 | E | 86.2 | Confident | 93.3 | Very high | 107 Ų | 107 | 39.2 Ų | 39.2 | 50% | 0.5 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 30.2 | -180 | -58.7 | -169.7 | 164.7 | 0 | 0 | 115.1 | T96 R98 | E58-T96 HydrophobicContact CB-CG2 4.23Å; E58-T96 HydrophobicContact CG-CG2 4.13Å; E58-T96 WeakPolarHBondContact OE2-CG2 3.29Å; E58-R98 IonicContact OE1-NH2 3.02Å; E58-R98 PolarHBondContact OE1-NH2 2.89Å; E58-R98 IonicContact OE2-CZ 2.72Å; E58-R98 IonicContact OE2-NE 3.9Å; E58-R98 PolarHBondContact OE2-NE 3.09Å; E58-R98 IonicContact OE2-NH2 3.24Å; E58-R98 PolarHBondContact OE2-NH2 3.24Å |
| 59 | V | 89.4 | Confident | 93.6 | Very high | 17 Ų | 17 | 35.5 Ų | 35.5 | 10% | 0.103 | 19% | 0.193 | C | C | . | . | trans | -76.1 | 137.4 | 179.7 | 176.7 | 0 | 0 | 0 | 0 | 112.4 | D56 D57 L63 W79 L125 | D56-V59 VanDerWaalsContact O-CG2 3.3Å; D56-V59 WeakPolarHBondContact O-CG2 3.41Å; D57-V59 PolarHBondContact O-N 3.29Å; D57-V59 VanDerWaalsContact O-N 3.14Å; V59-L63 HydrophobicContact CB-CD2 4.25Å; V59-L63 HydrophobicContact CG1-CB 4.44Å; V59-L63 HydrophobicContact CG1-CD2 3.81Å; V59-L63 HydrophobicContact CG1-CG 4.47Å; V59-L63 HydrophobicContact CG2-CD2 3.71Å; V59-W79 HydrophobicContact CG1-CB 4.17Å; V59-W79 HydrophobicContact CG1-CD2 3.99Å; V59-W79 HydrophobicContact CG1-CG 3.61Å; V59-W79 WeakPolarHBondContact O-CZ2 3.4Å; V59-L125 HydrophobicContact CB-CD1 4.31Å; V59-L125 HydrophobicContact CG1-CD1 3.89Å; V59-L125 HydrophobicContact CG1-CD2 4.29Å; V59-L125 HydrophobicContact CG2-CD1 3.98Å; V59-L125 HydrophobicContact CG2-CD2 3.91Å; V59-L125 HydrophobicContact CG2-CG 4.5Å | ||
| 60 | D | 86.5 | Confident | 93.9 | Very high | 53 Ų | 53 | 33.6 Ų | 33.6 | 28% | 0.283 | 16% | 0.163 | S | C | . | . | trans | -127.6 | 174.9 | 173.9 | 75.6 | 4.4 | 0 | 0 | 0 | 112.9 | K62 L63 A64 | D60-K62 PolarHBondContact O-N 3.41Å; D60-K62 VanDerWaalsContact O-N 3.16Å; D60-K62 WeakPolarHBondContact OD1-CA 3.4Å; D60-K62 VanDerWaalsContact OD1-CB 3.26Å; D60-K62 WeakPolarHBondContact OD1-CB 3.33Å; D60-K62 PolarHBondContact OD1-N 3.25Å; D60-L63 PolarHBondContact O-N 3.25Å; D60-L63 PolarHBondContact OD1-N 3.3Å; D60-A64 PolarHBondContact O-N 3.36Å | ||
| 61 | I | 92.8 | Very high | 94.1 | Very high | 71 Ų | 71 | 32.5 Ų | 32.5 | 36% | 0.364 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -63.9 | -20.6 | 179.1 | -160.9 | 63.8 | 0 | 0 | 0 | 112.6 | A64 N65 S76 W79 | I61-A64 HydrophobicContact CD1-CB 4.39Å; I61-N65 WeakPolarHBondContact O-CB 3.42Å; I61-N65 VanDerWaalsContact O-CG 3.22Å; I61-N65 PolarHBondContact O-N 3.08Å; I61-N65 PolarHBondContact O-ND2 2.94Å; I61-S76 WeakPolarHBondContact CD1-OG 3.44Å; I61-W79 HydrophobicContact CB-CE3 4.39Å; I61-W79 HydrophobicContact CB-CZ3 3.72Å; I61-W79 HydrophobicContact CD1-CE3 3.98Å; I61-W79 HydrophobicContact CD1-CZ3 3.83Å; I61-W79 HydrophobicContact CG1-CZ3 4.35Å; I61-W79 VanDerWaalsContact N-CZ3 3.31Å |
| 62 | K | 95.4 | Very high | 93.9 | Very high | 101 Ų | 101 | 28.8 Ų | 28.8 | 44% | 0.439 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -73.6 | -44.2 | 179.7 | -60.4 | 173 | -178.4 | 171.1 | 0 | 109.8 | D60 N65 V66 C99 | D60-K62 PolarHBondContact O-N 3.41Å; D60-K62 VanDerWaalsContact O-N 3.16Å; D60-K62 WeakPolarHBondContact OD1-CA 3.4Å; D60-K62 VanDerWaalsContact OD1-CB 3.26Å; D60-K62 WeakPolarHBondContact OD1-CB 3.33Å; D60-K62 PolarHBondContact OD1-N 3.25Å; K62-N65 PolarHBondContact O-N 3.4Å; K62-V66 WeakPolarHBondContact O-CG2 3.32Å; K62-V66 PolarHBondContact O-N 2.85Å; K62-C99 WeakPolarHBondContact CB-O 3.47Å; K62-C99 WeakPolarHBondContact CD-O 3.44Å |
| 63 | L | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.4 | -48.5 | 170.8 | 174 | 61.5 | 0 | 0 | 0 | 111.2 | V59 D60 N65 V66 L67 V97 C99 V106 L125 | V59-L63 HydrophobicContact CB-CD2 4.25Å; V59-L63 HydrophobicContact CG1-CB 4.44Å; V59-L63 HydrophobicContact CG1-CD2 3.81Å; V59-L63 HydrophobicContact CG1-CG 4.47Å; V59-L63 HydrophobicContact CG2-CD2 3.71Å; D60-L63 PolarHBondContact O-N 3.25Å; D60-L63 PolarHBondContact OD1-N 3.3Å; L63-N65 VanDerWaalsContact C-N 3.27Å; L63-N65 PolarHBondContact O-N 3.23Å; L63-V66 PolarHBondContact O-N 3.2Å; L63-V66 VanDerWaalsContact O-N 3.1Å; L63-L67 HydrophobicContact CD1-CD1 3.9Å; L63-L67 HydrophobicContact CD1-CG 4.01Å; L63-L67 HydrophobicContact CD2-CD1 4.41Å; L63-L67 HydrophobicContact CG-CD1 3.82Å; L63-L67 HydrophobicContact CG-CG 4.37Å; L63-L67 WeakPolarHBondContact O-CG 3.25Å; L63-L67 PolarHBondContact O-N 3.24Å; L63-V97 HydrophobicContact CD1-CB 4.06Å; L63-V97 HydrophobicContact CD1-CG1 3.61Å; L63-V97 HydrophobicContact CD2-CB 3.81Å; L63-V97 HydrophobicContact CD2-CG1 4.31Å; L63-C99 WeakPolarHBondContact CD1-SG 3.49Å; L63-V106 HydrophobicContact CD1-CG2 3.87Å; L63-L125 HydrophobicContact CD2-CD2 3.81Å |
| 64 | A | 96.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58 | -41 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | D60 I61 L67 C68 S76 W79 V127 | D60-A64 PolarHBondContact O-N 3.36Å; I61-A64 HydrophobicContact CD1-CB 4.39Å; A64-L67 PolarHBondContact O-N 3.12Å; A64-C68 WeakPolarHBondContact O-CB 3.13Å; A64-C68 PolarHBondContact O-N 3.19Å; A64-C68 PolarHBondContact O-SG 2.77Å; A64-S76 WeakPolarHBondContact O-CB 3.17Å; A64-W79 HydrophobicContact CB-CB 4.1Å; A64-W79 HydrophobicContact CB-CE3 4.28Å; A64-V127 HydrophobicContact CB-CG1 4.36Å |
| 65 | N | 95.3 | Very high | 93 | Very high | 47 Ų | 47 | 40.9 Ų | 40.9 | 25% | 0.251 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.5 | -41.1 | 175.8 | -79.7 | -38 | 0 | 0 | 0 | 112.8 | I61 K62 L63 R69 S76 | I61-N65 WeakPolarHBondContact O-CB 3.42Å; I61-N65 VanDerWaalsContact O-CG 3.22Å; I61-N65 PolarHBondContact O-N 3.08Å; I61-N65 PolarHBondContact O-ND2 2.94Å; K62-N65 PolarHBondContact O-N 3.4Å; L63-N65 VanDerWaalsContact C-N 3.27Å; L63-N65 PolarHBondContact O-N 3.23Å; N65-R69 WeakPolarHBondContact O-CB 3.44Å; N65-R69 PolarHBondContact O-N 3.19Å; N65-S76 VanDerWaalsContact CG-OG 3.28Å; N65-S76 PolarHBondContact N-OG 2.04Å; N65-S76 WeakPolarHBondContact OD1-CB 3.4Å; N65-S76 PolarHBondContact OD1-N 3.06Å; N65-S76 PolarHBondContact OD1-OG 3.1Å |
| 66 | V | 96.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.2 | -48.7 | 175.1 | 170.6 | 0 | 0 | 0 | 0 | 110.3 | K62 L63 R69 Q70 C99 E103 | K62-V66 WeakPolarHBondContact O-CG2 3.32Å; K62-V66 PolarHBondContact O-N 2.85Å; L63-V66 PolarHBondContact O-N 3.2Å; L63-V66 VanDerWaalsContact O-N 3.1Å; V66-R69 PolarHBondContact O-N 3.25Å; V66-Q70 VanDerWaalsContact O-CB 3.25Å; V66-Q70 WeakPolarHBondContact O-CB 3.3Å; V66-Q70 PolarHBondContact O-N 3.46Å; V66-C99 HydrophobicContact CG2-CB 3.95Å; V66-E103 HydrophobicContact CG1-CB 4.14Å; V66-E103 HydrophobicContact CG2-CB 4Å |
| 67 | L | 96.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.4 | -50.4 | 178.9 | -69.8 | 169.4 | 0 | 0 | 0 | 112.1 | I28 V43 L63 A64 R69 Q70 L71 V106 L125 V127 | I28-L67 HydrophobicContact CD1-CB 4.48Å; I28-L67 HydrophobicContact CD1-CD2 3.9Å; I28-L67 WeakPolarHBondContact CD1-O 3.15Å; V43-L67 HydrophobicContact CG1-CD1 4.33Å; V43-L67 HydrophobicContact CG1-CD2 3.86Å; V43-L67 HydrophobicContact CG2-CD1 4.18Å; L63-L67 HydrophobicContact CD1-CD1 3.9Å; L63-L67 HydrophobicContact CD1-CG 4.01Å; L63-L67 HydrophobicContact CD2-CD1 4.41Å; L63-L67 HydrophobicContact CG-CD1 3.82Å; L63-L67 HydrophobicContact CG-CG 4.37Å; L63-L67 WeakPolarHBondContact O-CG 3.25Å; L63-L67 PolarHBondContact O-N 3.24Å; A64-L67 PolarHBondContact O-N 3.12Å; L67-R69 VanDerWaalsContact C-N 3.32Å; L67-R69 PolarHBondContact O-N 3.48Å; L67-Q70 PolarHBondContact O-N 3.04Å; L67-L71 WeakPolarHBondContact O-CB 3.48Å; L67-L71 WeakPolarHBondContact O-CD1 3.16Å; L67-L71 WeakPolarHBondContact O-CG 3.47Å; L67-L71 PolarHBondContact O-N 3.43Å; L67-V106 HydrophobicContact CD2-CB 3.87Å; L67-V106 HydrophobicContact CD2-CG1 4.31Å; L67-V106 HydrophobicContact CD2-CG2 3.85Å; L67-L125 HydrophobicContact CD1-CD2 3.94Å; L67-V127 HydrophobicContact CB-CG1 4.31Å; L67-V127 HydrophobicContact CD1-CG1 3.86Å |
| 68 | C | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.7 | -37.8 | 179.1 | -75.5 | 0 | 0 | 0 | 0 | 112.8 | A64 L71 G72 F73 C129 | A64-C68 WeakPolarHBondContact O-CB 3.13Å; A64-C68 PolarHBondContact O-N 3.19Å; A64-C68 PolarHBondContact O-SG 2.77Å; C68-L71 PolarHBondContact O-N 3.26Å; C68-G72 PolarHBondContact O-N 3.08Å; C68-F73 HydrophobicContact CB-CB 4.42Å; C68-F73 WeakPolarHBondContact O-CA 3.28Å; C68-F73 WeakPolarHBondContact O-CB 3.28Å; C68-F73 PolarHBondContact O-N 2.77Å; C68-C129 WeakPolarHBondContact CA-SG 3.24Å; C68-C129 HydrophobicContact CB-CB 3.66Å; C68-C129 WeakPolarHBondContact CB-SG 3.46Å; C68-C129 WeakPolarHBondContact SG-CA 3.07Å; C68-C129 WeakPolarHBondContact SG-CB 3.5Å; C68-C129 CovalentContact SG-SG 2.04Å; C68-C129 PolarHBondContact SG-SG 3.36Å |
| 69 | R | 93.8 | Very high | 93 | Very high | 64 Ų | 64 | 43.3 Ų | 43.3 | 24% | 0.242 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.2 | -36.5 | 177.5 | -173.9 | 171 | 67.7 | 169.6 | 6.2 | 112.7 | N65 V66 L67 L71 G72 F73 S102 E103 R134 | N65-R69 WeakPolarHBondContact O-CB 3.44Å; N65-R69 PolarHBondContact O-N 3.19Å; V66-R69 PolarHBondContact O-N 3.25Å; L67-R69 VanDerWaalsContact C-N 3.32Å; L67-R69 PolarHBondContact O-N 3.48Å; R69-L71 VanDerWaalsContact C-N 3.33Å; R69-G72 PolarHBondContact O-N 3.25Å; R69-F73 WeakPolarHBondContact CA-O 3.35Å; R69-S102 PolarHBondContact NH2-O 2.96Å; R69-E103 PolarHBondContact NH2-O 3.31Å; R69-R134 PolarHBondContact O-NH1 2.87Å |
| 70 | Q | 94.3 | Very high | 93 | Very high | 37 Ų | 37 | 42.7 Ų | 42.7 | 17% | 0.173 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.8 | -31.2 | 174.4 | -177.5 | -177.3 | 0 | 0 | 0 | 111.4 | V26 I28 V66 L67 G72 S105 | V26-Q70 PolarHBondContact O-NE2 3.48Å; I28-Q70 HydrophobicContact CD1-CB 3.75Å; I28-Q70 HydrophobicContact CD1-CG 3.7Å; I28-Q70 HydrophobicContact CG1-CB 4.44Å; I28-Q70 HydrophobicContact CG1-CG 3.92Å; V66-Q70 VanDerWaalsContact O-CB 3.25Å; V66-Q70 WeakPolarHBondContact O-CB 3.3Å; V66-Q70 PolarHBondContact O-N 3.46Å; L67-Q70 PolarHBondContact O-N 3.04Å; Q70-G72 PolarHBondContact O-N 3.41Å; Q70-S105 PolarHBondContact NE2-OG 3.47Å |
| 71 | L | 93.3 | Very high | 93.3 | Very high | 26 Ų | 26 | 46 Ų | 46 | 14% | 0.136 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -3.6 | 170.1 | -73 | 160.8 | 0 | 0 | 0 | 114.2 | I28 L30 L67 C68 R69 F73 V127 R133 | I28-L71 HydrophobicContact CD1-CD1 4.2Å; I28-L71 HydrophobicContact CD1-CD2 4.14Å; I28-L71 HydrophobicContact CD1-CG 3.63Å; I28-L71 HydrophobicContact CG1-CD2 3.77Å; I28-L71 HydrophobicContact CG1-CG 3.83Å; I28-L71 WeakPolarHBondContact O-CD2 3.3Å; L30-L71 HydrophobicContact CD1-CD1 3.98Å; L30-L71 HydrophobicContact CD2-CD1 3.58Å; L30-L71 HydrophobicContact CG-CD1 3.63Å; L30-L71 HydrophobicContact CG-CD2 4.24Å; L67-L71 WeakPolarHBondContact O-CB 3.48Å; L67-L71 WeakPolarHBondContact O-CD1 3.16Å; L67-L71 WeakPolarHBondContact O-CG 3.47Å; L67-L71 PolarHBondContact O-N 3.43Å; C68-L71 PolarHBondContact O-N 3.26Å; R69-L71 VanDerWaalsContact C-N 3.33Å; L71-F73 HydrophobicContact CB-CD2 3.76Å; L71-F73 HydrophobicContact CB-CE2 3.93Å; L71-V127 HydrophobicContact CD1-CG2 4.3Å; L71-R133 PolarHBondContact O-NH1 3.11Å |
| 72 | G | 91.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | 11.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | C68 R69 Q70 R133 R134 | C68-G72 PolarHBondContact O-N 3.08Å; R69-G72 PolarHBondContact O-N 3.25Å; Q70-G72 PolarHBondContact O-N 3.41Å; G72-R133 WeakPolarHBondContact O-CA 3.36Å; G72-R134 PolarHBondContact O-N 3.32Å |
| 73 | F | 93.4 | Very high | 93 | Very high | 10 Ų | 10 | 42.1 Ų | 42.1 | 4% | 0.044 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | -89.9 | 157.8 | 172.7 | -59.3 | -76.6 | 0 | 0 | 0 | 111.6 | L30 N39 C68 R69 L71 C129 S130 E132 R133 R134 | L30-F73 HydrophobicContact CD1-CE2 4.41Å; N39-F73 VanDerWaalsContact CA-CZ 3.48Å; N39-F73 HydrophobicContact CB-CD1 4Å; N39-F73 HydrophobicContact CB-CE1 3.44Å; N39-F73 VanDerWaalsContact CB-CE1 3.44Å; N39-F73 HydrophobicContact CB-CE2 4.25Å; N39-F73 HydrophobicContact CB-CZ 3.59Å; C68-F73 HydrophobicContact CB-CB 4.42Å; C68-F73 WeakPolarHBondContact O-CA 3.28Å; C68-F73 WeakPolarHBondContact O-CB 3.28Å; C68-F73 PolarHBondContact O-N 2.77Å; R69-F73 WeakPolarHBondContact CA-O 3.35Å; L71-F73 HydrophobicContact CB-CD2 3.76Å; L71-F73 HydrophobicContact CB-CE2 3.93Å; F73-C129 HydrophobicContact CB-CB 3.7Å; F73-C129 HydrophobicContact CD1-CB 4.27Å; F73-C129 HydrophobicContact CD2-CB 3.54Å; F73-C129 HydrophobicContact CE2-CB 4.23Å; F73-C129 HydrophobicContact CG-CB 3.56Å; F73-S130 WeakPolarHBondContact CD1-O 3.4Å; F73-E132 WeakPolarHBondContact CA-O 3.5Å; F73-R133 VanDerWaalsContact CZ-NH1 3.32Å; F73-R134 WeakPolarHBondContact O-CD 3.33Å; F73-R134 WeakPolarHBondContact O-CG 3.38Å |
| 74 | Q | 90.1 | Very high | 92.7 | Very high | 120 Ų | 120 | 48.3 Ų | 48.3 | 56% | 0.561 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -68.8 | -39.3 | -174.8 | -169.8 | 169.7 | 6.1 | 0 | 0 | 112.6 | E132 | Q74-E132 HydrophobicContact CB-CB 4.13Å; Q74-E132 PolarHBondContact N-O 3.36Å |
| 75 | R | 88.9 | Confident | 92.6 | Very high | 125 Ų | 125 | 48.5 Ų | 48.5 | 47% | 0.472 | 23% | 0.229 | S | C | . | . | trans | -160.3 | 172.6 | 178.9 | 60.2 | -172.9 | 177.8 | 95 | -7.6 | 111.2 | S130 | R75-S130 PolarHBondContact N-OG 2.92Å; R75-S130 PolarHBondContact O-N 2.81Å | ||
| 76 | S | 92.6 | Very high | 92.4 | Very high | 5 Ų | 5 | 47.3 Ų | 47.3 | 4% | 0.035 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 150 | 164.8 | 70.4 | 0 | 0 | 0 | 0 | 111.2 | I61 A64 N65 | I61-S76 WeakPolarHBondContact CD1-OG 3.44Å; A64-S76 WeakPolarHBondContact O-CB 3.17Å; N65-S76 VanDerWaalsContact CG-OG 3.28Å; N65-S76 PolarHBondContact N-OG 2.04Å; N65-S76 WeakPolarHBondContact OD1-CB 3.4Å; N65-S76 PolarHBondContact OD1-N 3.06Å; N65-S76 PolarHBondContact OD1-OG 3.1Å |
| 77 | F | 90.8 | Very high | 92.4 | Very high | 96 Ų | 96 | 52.9 Ų | 52.9 | 42% | 0.421 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -43.3 | 160.4 | -71.8 | -35.1 | 0 | 0 | 0 | 110.5 | I128 C129 | F77-I128 HydrophobicContact CB-CG2 4.47Å; F77-I128 HydrophobicContact CD2-CG2 4.38Å; F77-I128 PolarHBondContact N-O 3.03Å; F77-C129 WeakPolarHBondContact CD2-O 3.43Å |
| 78 | T | 89.6 | Confident | 92.1 | Very high | 57 Ų | 57 | 52.9 Ų | 52.9 | 35% | 0.35 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.3 | 174.3 | 178.5 | -169.2 | 0 | 0 | 0 | 0 | 110.5 | I128 | T78-I128 HydrophobicContact CG2-CB 4.04Å; T78-I128 HydrophobicContact CG2-CD1 3.87Å; T78-I128 HydrophobicContact CG2-CG1 4.23Å; T78-I128 PolarHBondContact N-O 3.46Å; T78-I128 PolarHBondContact O-N 3.36Å |
| 79 | W | 94.7 | Very high | 91.7 | Very high | 80 Ų | 80 | 60.4 Ų | 60.4 | 30% | 0.303 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 171.6 | 165.6 | 66.7 | 105.1 | 0 | 0 | 0 | 111 | V59 I61 A64 L125 G126 V127 | V59-W79 HydrophobicContact CG1-CB 4.17Å; V59-W79 HydrophobicContact CG1-CD2 3.99Å; V59-W79 HydrophobicContact CG1-CG 3.61Å; V59-W79 WeakPolarHBondContact O-CZ2 3.4Å; I61-W79 HydrophobicContact CB-CE3 4.39Å; I61-W79 HydrophobicContact CB-CZ3 3.72Å; I61-W79 HydrophobicContact CD1-CE3 3.98Å; I61-W79 HydrophobicContact CD1-CZ3 3.83Å; I61-W79 HydrophobicContact CG1-CZ3 4.35Å; I61-W79 VanDerWaalsContact N-CZ3 3.31Å; A64-W79 HydrophobicContact CB-CB 4.1Å; A64-W79 HydrophobicContact CB-CE3 4.28Å; W79-L125 HydrophobicContact CB-CD1 4.03Å; W79-L125 HydrophobicContact CG-CD1 4.36Å; W79-G126 CarbonylContact C-O 3.34Å; W79-G126 WeakPolarHBondContact CA-O 3.43Å; W79-G126 WeakPolarHBondContact CB-O 3.49Å; W79-V127 HydrophobicContact CB-CG1 4.34Å |
| 80 | A | 90.1 | Very high | 91.5 | Very high | 4 Ų | 4 | 60.4 Ų | 60.4 | 3% | 0.033 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 130.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | K84 F85 G126 | A80-K84 HydrophobicContact CB-CB 3.81Å; A80-K84 HydrophobicContact CB-CD 3.49Å; A80-K84 VanDerWaalsContact CB-CD 3.49Å; A80-K84 HydrophobicContact CB-CG 4.26Å; A80-F85 HydrophobicContact CB-CD2 4.36Å; A80-F85 HydrophobicContact CB-CE2 3.83Å; A80-G126 PolarHBondContact N-O 2.91Å; A80-G126 PolarHBondContact O-N 3.44Å |
| 81 | H | 91 | Very high | 91.4 | Very high | 122 Ų | 122 | 66.2 Ų | 66.2 | 57% | 0.565 | 33% | 0.33 | S | S | * | . | trans | -99.1 | 179.4 | 177.5 | 55.6 | -95.7 | 0 | 0 | 0 | 111 | D56 A83 K84 | D56-H81 HydrophobicContact CB-CB 4.12Å; D56-H81 VanDerWaalsContact OD2-C 3.32Å; D56-H81 WeakPolarHBondContact OD2-CA 3.44Å; D56-H81 WeakPolarHBondContact OD2-CB 3.49Å; H81-A83 VanDerWaalsContact C-N 3.3Å; H81-A83 PolarHBondContact O-N 2.87Å; H81-K84 PolarHBondContact O-N 3.02Å | ||
| 82 | S | 91.6 | Very high | 91.5 | Very high | 80 Ų | 80 | 65.4 Ų | 65.4 | 56% | 0.559 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 46.2 | 174.1 | -55 | 0 | 0 | 0 | 0 | 113.6 | D56 K84 S122 | D56-S82 PolarHBondContact OD2-N 2.88Å; S82-K84 PolarHBondContact O-N 3.4Å; S82-K84 VanDerWaalsContact O-N 3.09Å; S82-S122 CarbonylContact C-O 3.51Å; S82-S122 WeakPolarHBondContact CA-O 3.22Å |
| 83 | A | 90.8 | Very high | 91.8 | Very high | 11 Ų | 11 | 66.1 Ų | 66.1 | 9% | 0.091 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 39.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | H81 F85 G86 Q87 H121 S122 D124 | H81-A83 VanDerWaalsContact C-N 3.3Å; H81-A83 PolarHBondContact O-N 2.87Å; A83-F85 PolarHBondContact O-N 3.48Å; A83-G86 CarbonylContact O-C 3.52Å; A83-G86 VanDerWaalsContact O-CA 3.23Å; A83-G86 WeakPolarHBondContact O-CA 3.34Å; A83-G86 PolarHBondContact O-N 2.78Å; A83-Q87 HydrophobicContact CB-CB 4.45Å; A83-Q87 HydrophobicContact CB-CG 3.78Å; A83-H121 VanDerWaalsContact CB-O 3.32Å; A83-H121 WeakPolarHBondContact CB-O 3.14Å; A83-S122 PolarHBondContact N-O 3.35Å; A83-D124 VanDerWaalsContact CA-O 3.31Å; A83-D124 WeakPolarHBondContact CA-O 3.41Å; A83-D124 HydrophobicContact CB-CB 4.28Å; A83-D124 PolarHBondContact N-O 3.15Å |
| 84 | K | 90.2 | Very high | 91.9 | Very high | 129 Ų | 129 | 65.6 Ų | 65.6 | 56% | 0.561 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.8 | -37.4 | -179.1 | -178.7 | -175.7 | 179.6 | -178.3 | 0 | 114.1 | A80 H81 S82 G86 | A80-K84 HydrophobicContact CB-CB 3.81Å; A80-K84 HydrophobicContact CB-CD 3.49Å; A80-K84 VanDerWaalsContact CB-CD 3.49Å; A80-K84 HydrophobicContact CB-CG 4.26Å; H81-K84 PolarHBondContact O-N 3.02Å; S82-K84 PolarHBondContact O-N 3.4Å; S82-K84 VanDerWaalsContact O-N 3.09Å; K84-G86 PolarHBondContact O-N 3.28Å |
| 85 | F | 93.5 | Very high | 92.1 | Very high | 5 Ų | 5 | 59.9 Ų | 59.9 | 2% | 0.022 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | 28.1 | 179 | -60.3 | -74.3 | 0 | 0 | 0 | 112.1 | G32 V33 R35 E40 G41 R42 A80 A83 I128 | G32-F85 CarbonylContact C-O 3.36Å; G32-F85 WeakPolarHBondContact CA-O 3.3Å; V33-F85 PolarHBondContact N-O 2.98Å; V33-F85 CarbonylContact O-C 3.57Å; V33-F85 WeakPolarHBondContact O-CA 3.47Å; R35-F85 HydrophobicContact CG-CD1 4.21Å; E40-F85 HydrophobicContact CB-CE1 4.14Å; E40-F85 HydrophobicContact CB-CZ 3.83Å; E40-F85 HydrophobicContact CG-CE1 4.13Å; E40-F85 HydrophobicContact CG-CZ 4.3Å; G41-F85 WeakPolarHBondContact O-CD2 3.34Å; R42-F85 HydrophobicContact CB-CB 4.07Å; R42-F85 PolarHBondContact NH1-O 3.22Å; A80-F85 HydrophobicContact CB-CD2 4.36Å; A80-F85 HydrophobicContact CB-CE2 3.83Å; A83-F85 PolarHBondContact O-N 3.48Å; F85-I128 HydrophobicContact CE2-CG1 4.42Å; F85-I128 HydrophobicContact CZ-CD1 4.38Å; F85-I128 HydrophobicContact CZ-CG1 3.99Å |
| 86 | G | 92.8 | Very high | 92.3 | Very high | 22 Ų | 22 | 55 Ų | 55 | 23% | 0.227 | 28% | 0.284 | C | S | . | . | trans | 81.1 | 156.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R42 A83 K84 | R42-G86 WeakPolarHBondContact CD-O 3.14Å; R42-G86 PolarHBondContact NH1-O 3.16Å; A83-G86 CarbonylContact O-C 3.52Å; A83-G86 VanDerWaalsContact O-CA 3.23Å; A83-G86 WeakPolarHBondContact O-CA 3.34Å; A83-G86 PolarHBondContact O-N 2.78Å; K84-G86 PolarHBondContact O-N 3.28Å | ||
| 87 | Q | 95.4 | Very high | 92.3 | Very high | 117 Ų | 117 | 54.8 Ų | 54.8 | 55% | 0.547 | 28% | 0.282 | S | S | . | . | trans | -68 | 140.8 | 173.3 | -64.2 | -173.9 | -168.2 | 0 | 0 | 110.8 | R42 A83 H121 | R42-Q87 PolarHBondContact NH1-O 3.34Å; A83-Q87 HydrophobicContact CB-CB 4.45Å; A83-Q87 HydrophobicContact CB-CG 3.78Å; Q87-H121 HydrophobicContact CB-CB 4.07Å; Q87-H121 WeakPolarHBondContact CG-O 3.02Å | ||
| 88 | G | 90.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | trans | -77 | -173.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D124 | G88-D124 WeakPolarHBondContact CA-OD2 3.07Å; G88-D124 PolarHBondContact N-OD2 3.13Å | ||
| 89 | Q | 88.1 | Confident | 92.7 | Very high | 157 Ų | 157 | 54.3 Ų | 54.3 | 73% | 0.734 | 27% | 0.273 | S | S | * | . | trans | -140.4 | 149.6 | -180 | -65.3 | -66.3 | -35 | 0 | 0 | 108.7 | ||||
| 90 | G | 88.4 | Confident | 92.5 | Very high | 64 Ų | 64 | 58 Ų | 58 | 66% | 0.66 | 29% | 0.293 | S | S | * | . | S | Bend | trans | 92.1 | -128.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | H121 | G90-H121 PolarHBondContact N-NE2 2.88Å; G90-H121 PolarHBondContact O-NE2 2.79Å; G90-H121 VanDerWaalsContact O-NE2 3.14Å |
| 91 | R | 92.1 | Very high | 92.3 | Very high | 159 Ų | 159 | 58.9 Ų | 58.9 | 60% | 0.6 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 143 | -173.7 | -68 | 179.5 | 177.5 | -95.2 | 1.6 | 110.6 | G52 T53 W93 | G52-R91 CarbonylContact C-O 3.54Å; G52-R91 WeakPolarHBondContact CA-O 3.47Å; T53-R91 PolarHBondContact N-O 2.89Å; R91-W93 HydrophobicContact CB-CD2 4.32Å; R91-W93 HydrophobicContact CB-CE3 4.48Å; R91-W93 HydrophobicContact CB-CH2 4.26Å; R91-W93 HydrophobicContact CB-CZ2 4.06Å; R91-W93 HydrophobicContact CB-CZ3 4.45Å; R91-W93 VanDerWaalsContact CD-CZ2 3.47Å; R91-W93 HydrophobicContact CG-CH2 4.31Å; R91-W93 HydrophobicContact CG-CZ2 4.38Å |
| 92 | I | 96.6 | Very high | 92.2 | Very high | 9 Ų | 9 | 57 Ų | 57 | 5% | 0.046 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 112.2 | 164.3 | -51.3 | -179.1 | 0 | 0 | 0 | 106.7 | T53 C55 G115 N117 C119 | T53-I92 CarbonylContact O-C 3.59Å; T53-I92 WeakPolarHBondContact OG1-CG1 3.39Å; C55-I92 HydrophobicContact CB-CG2 4.08Å; I92-G115 WeakPolarHBondContact O-CA 3.43Å; I92-N117 HydrophobicContact CG2-CB 4.34Å; I92-N117 PolarHBondContact O-ND2 3.39Å; I92-C119 HydrophobicContact CD1-CB 3.95Å; I92-C119 WeakPolarHBondContact CD1-O 3.36Å |
| 93 | W | 96.3 | Very high | 92.3 | Very high | 15 Ų | 15 | 54.3 Ų | 54.3 | 6% | 0.057 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | -34.6 | -171.4 | -79.9 | 136.6 | 0 | 0 | 0 | 114 | Y47 S50 G52 T53 R91 W114 G115 | Y47-W93 HydrophobicContact CD1-CD2 4.43Å; Y47-W93 HydrophobicContact CD1-CE3 4.23Å; Y47-W93 HydrophobicContact CD1-CZ3 4.28Å; S50-W93 PolarHBondContact O-NE1 2.84Å; S50-W93 WeakPolarHBondContact OG-CZ2 3.49Å; G52-W93 VanDerWaalsContact N-CD1 3.29Å; T53-W93 PolarHBondContact O-N 2.8Å; R91-W93 HydrophobicContact CB-CD2 4.32Å; R91-W93 HydrophobicContact CB-CE3 4.48Å; R91-W93 HydrophobicContact CB-CH2 4.26Å; R91-W93 HydrophobicContact CB-CZ2 4.06Å; R91-W93 HydrophobicContact CB-CZ3 4.45Å; R91-W93 VanDerWaalsContact CD-CZ2 3.47Å; R91-W93 HydrophobicContact CG-CH2 4.31Å; R91-W93 HydrophobicContact CG-CZ2 4.38Å; W93-W114 HydrophobicContact CB-CE3 4.07Å; W93-W114 HydrophobicContact CB-CZ3 4.19Å; W93-W114 HydrophobicContact CG-CE3 4.47Å; W93-G115 PolarHBondContact O-N 2.8Å |
| 94 | L | 96.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 136.7 | -171 | -61.3 | -180 | 0 | 0 | 0 | 109.3 | V45 V54 C55 V97 V106 F111 W114 | V45-L94 HydrophobicContact CG2-CD1 3.97Å; V54-L94 CarbonylContact C-O 3.45Å; V54-L94 WeakPolarHBondContact CA-O 3.37Å; V54-L94 HydrophobicContact CB-CB 4.43Å; V54-L94 HydrophobicContact CG1-CB 3.97Å; V54-L94 HydrophobicContact CG2-CB 4.18Å; V54-L94 HydrophobicContact CG2-CD1 4.08Å; V54-L94 HydrophobicContact CG2-CG 4.48Å; C55-L94 PolarHBondContact N-O 3.45Å; L94-V97 HydrophobicContact CB-CG2 3.63Å; L94-V97 HydrophobicContact CD1-CG2 4.46Å; L94-V106 HydrophobicContact CD1-CG1 4.02Å; L94-V106 HydrophobicContact CD1-CG2 3.76Å; L94-F111 HydrophobicContact CD2-CD1 4.11Å; L94-F111 HydrophobicContact CD2-CD2 3.43Å; L94-F111 VanDerWaalsContact CD2-CD2 3.43Å; L94-F111 HydrophobicContact CD2-CE1 4.13Å; L94-F111 HydrophobicContact CD2-CE2 3.43Å; L94-F111 VanDerWaalsContact CD2-CE2 3.43Å; L94-F111 HydrophobicContact CD2-CG 3.81Å; L94-F111 HydrophobicContact CD2-CZ 3.81Å; L94-W114 HydrophobicContact CD1-CZ3 4.41Å; L94-W114 HydrophobicContact CD2-CD2 4.29Å; L94-W114 HydrophobicContact CD2-CE3 3.74Å; L94-W114 HydrophobicContact CD2-CH2 3.92Å; L94-W114 HydrophobicContact CD2-CZ2 4.47Å; L94-W114 HydrophobicContact CD2-CZ3 3.54Å; L94-W114 HydrophobicContact CG-CE3 4.44Å; L94-W114 HydrophobicContact CG-CZ3 3.99Å |
| 95 | D | 95.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | trans | -143 | 145.3 | 177 | 167.1 | 26.9 | 0 | 0 | 0 | 108.6 | C55 V97 R112 N117 | C55-D95 HydrophobicContact CB-CB 4.03Å; D95-V97 PolarHBondContact O-N 3.43Å; D95-R112 PolarHBondContact O-N 3.42Å; D95-R112 VanDerWaalsContact OD2-CD 3.3Å; D95-R112 WeakPolarHBondContact OD2-CD 3.39Å; D95-R112 IonicContact OD2-CZ 2.93Å; D95-R112 IonicContact OD2-NE 2.98Å; D95-R112 IonicContact OD2-NH1 3.62Å; D95-R112 PolarHBondContact OD2-NH1 2.83Å; D95-N117 HydrophobicContact CB-CB 3.54Å; D95-N117 WeakPolarHBondContact OD2-CA 3.43Å | ||
| 96 | T | 91.4 | Very high | 92.4 | Very high | 23 Ų | 23 | 52.5 Ų | 52.5 | 14% | 0.141 | 28% | 0.281 | C | S | . | . | S | Bend | trans | 56.3 | 52.6 | 178.6 | -46.3 | 0 | 0 | 0 | 0 | 110.3 | E58 R98 R112 | E58-T96 HydrophobicContact CB-CG2 4.23Å; E58-T96 HydrophobicContact CG-CG2 4.13Å; E58-T96 WeakPolarHBondContact OE2-CG2 3.29Å; T96-R98 PolarHBondContact O-N 2.97Å; T96-R112 VanDerWaalsContact OG1-CD 3.3Å; T96-R112 WeakPolarHBondContact OG1-CD 3.29Å |
| 97 | V | 94.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -86.3 | 108.4 | -172 | -167.4 | 0 | 0 | 0 | 0 | 110.4 | V54 L63 L94 D95 V106 C109 Q110 F111 | V54-V97 HydrophobicContact CG1-CG2 4.08Å; L63-V97 HydrophobicContact CD1-CB 4.06Å; L63-V97 HydrophobicContact CD1-CG1 3.61Å; L63-V97 HydrophobicContact CD2-CB 3.81Å; L63-V97 HydrophobicContact CD2-CG1 4.31Å; L94-V97 HydrophobicContact CB-CG2 3.63Å; L94-V97 HydrophobicContact CD1-CG2 4.46Å; D95-V97 PolarHBondContact O-N 3.43Å; V97-V106 HydrophobicContact CG1-CG2 3.96Å; V97-C109 HydrophobicContact CG1-CB 3.73Å; V97-Q110 CarbonylContact C-O 3.49Å; V97-Q110 WeakPolarHBondContact CA-O 3.47Å; V97-F111 HydrophobicContact CB-CB 4.45Å; V97-F111 HydrophobicContact CG1-CB 4.41Å; V97-F111 HydrophobicContact CG2-CB 4.07Å | ||
| 98 | R | 92.6 | Very high | 92.3 | Very high | 133 Ų | 133 | 51.2 Ų | 51.2 | 50% | 0.502 | 27% | 0.273 | S | S | . | . | B | Isolated β-bridge | trans | -106.9 | 117 | -179.4 | -61.8 | -177.3 | -178.8 | 178.9 | 0.1 | 111 | E58 T96 C109 Q110 | E58-R98 IonicContact OE1-NH2 3.02Å; E58-R98 PolarHBondContact OE1-NH2 2.89Å; E58-R98 IonicContact OE2-CZ 2.72Å; E58-R98 IonicContact OE2-NE 3.9Å; E58-R98 PolarHBondContact OE2-NE 3.09Å; E58-R98 IonicContact OE2-NH2 3.24Å; E58-R98 PolarHBondContact OE2-NH2 3.24Å; T96-R98 PolarHBondContact O-N 2.97Å; R98-C109 WeakPolarHBondContact O-CB 3.16Å; R98-Q110 PolarHBondContact N-O 2.83Å; R98-Q110 PolarHBondContact O-N 3.04Å |
| 99 | C | 94.9 | Very high | 92.4 | Very high | 10 Ų | 10 | 51.6 Ų | 51.6 | 7% | 0.068 | 28% | 0.275 | C | S | . | . | trans | -111.9 | 149.6 | 176.6 | -55.5 | 0 | 0 | 0 | 0 | 111.6 | K62 L63 V66 G101 E103 C109 | K62-C99 WeakPolarHBondContact CB-O 3.47Å; K62-C99 WeakPolarHBondContact CD-O 3.44Å; L63-C99 WeakPolarHBondContact CD1-SG 3.49Å; V66-C99 HydrophobicContact CG2-CB 3.95Å; C99-G101 VanDerWaalsContact C-N 3.3Å; C99-E103 WeakPolarHBondContact CA-OE1 3.06Å; C99-C109 HydrophobicContact CB-CB 4.06Å; C99-C109 WeakPolarHBondContact CB-SG 3.18Å; C99-C109 WeakPolarHBondContact SG-CB 3.44Å; C99-C109 CovalentContact SG-SG 2.03Å; C99-C109 PolarHBondContact SG-SG 3.34Å | ||
| 100 | Q | 90.9 | Very high | 92.7 | Very high | 158 Ų | 158 | 51.1 Ų | 51.1 | 74% | 0.738 | 27% | 0.273 | S | S | * | . | trans | -76.9 | -19.5 | 168.2 | -58.9 | -173.4 | 10.4 | 0 | 0 | 112 | E103 | Q100-E103 WeakPolarHBondContact CB-OE1 3.35Å; Q100-E103 VanDerWaalsContact N-CD 3.32Å; Q100-E103 PolarHBondContact N-OE1 3.4Å; Q100-E103 PolarHBondContact N-OE2 3.08Å; Q100-E103 VanDerWaalsContact N-OE2 3.16Å | ||
| 101 | G | 85.9 | Confident | 93 | Very high | 22 Ų | 22 | 50.2 Ų | 50.2 | 23% | 0.227 | 25% | 0.251 | C | S | . | . | S | Bend | trans | 96.9 | -7.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | C99 E103 | C99-G101 VanDerWaalsContact C-N 3.3Å; G101-E103 WeakPolarHBondContact CA-OE2 3.43Å; G101-E103 PolarHBondContact N-OE2 2.72Å |
| 102 | S | 88.9 | Confident | 92.7 | Very high | 82 Ų | 82 | 48.1 Ų | 48.1 | 57% | 0.573 | 24% | 0.243 | S | C | * | . | trans | -99.2 | -7.4 | 179.6 | 60.3 | 0 | 0 | 0 | 0 | 113 | R69 | R69-S102 PolarHBondContact NH2-O 2.96Š| ||
| 103 | E | 94.2 | Very high | 92.4 | Very high | 23 Ų | 23 | 48.7 Ų | 48.7 | 11% | 0.107 | 25% | 0.251 | C | S | . | . | trans | -66.6 | 135.5 | -178.6 | -63.1 | 88.9 | 161.5 | 0 | 0 | 113.2 | V66 R69 C99 Q100 G101 Q108 | V66-E103 HydrophobicContact CG1-CB 4.14Å; V66-E103 HydrophobicContact CG2-CB 4Å; R69-E103 PolarHBondContact NH2-O 3.31Å; C99-E103 WeakPolarHBondContact CA-OE1 3.06Å; Q100-E103 WeakPolarHBondContact CB-OE1 3.35Å; Q100-E103 VanDerWaalsContact N-CD 3.32Å; Q100-E103 PolarHBondContact N-OE1 3.4Å; Q100-E103 PolarHBondContact N-OE2 3.08Å; Q100-E103 VanDerWaalsContact N-OE2 3.16Å; G101-E103 WeakPolarHBondContact CA-OE2 3.43Å; G101-E103 PolarHBondContact N-OE2 2.72Å; E103-Q108 HydrophobicContact CB-CB 4.09Å; E103-Q108 HydrophobicContact CG-CB 4.02Å | ||
| 104 | T | 89 | Confident | 92.2 | Very high | 96 Ų | 96 | 51.1 Ų | 51.1 | 59% | 0.589 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -80.7 | -19.9 | -179.7 | 54.2 | 0 | 0 | 0 | 0 | 113.3 | Q108 | T104-Q108 PolarHBondContact OG1-NE2 3.21Å; T104-Q108 VanDerWaalsContact OG1-NE2 3.15Å; T104-Q108 PolarHBondContact OG1-OE1 3.1Å |
| 105 | S | 92.8 | Very high | 91.9 | Very high | 12 Ų | 12 | 52.5 Ų | 52.5 | 8% | 0.084 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -141.7 | 145.8 | 177.5 | 178.8 | 0 | 0 | 0 | 0 | 110.6 | Q70 A107 Q108 | Q70-S105 PolarHBondContact NE2-OG 3.47Å; S105-A107 PolarHBondContact O-N 3.11Å; S105-A107 PolarHBondContact OG-N 3.28Å; S105-Q108 WeakPolarHBondContact O-CB 3.49Å; S105-Q108 PolarHBondContact O-N 3.33Å |
| 106 | V | 94.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -59.2 | -27 | 174.9 | 70.4 | 0 | 0 | 0 | 0 | 112.8 | V26 I28 V45 L63 L67 L94 V97 Q108 C109 | V26-V106 HydrophobicContact CG2-CG1 4.14Å; I28-V106 HydrophobicContact CG2-CG1 4.08Å; V45-V106 HydrophobicContact CG2-CG1 4.49Å; L63-V106 HydrophobicContact CD1-CG2 3.87Å; L67-V106 HydrophobicContact CD2-CB 3.87Å; L67-V106 HydrophobicContact CD2-CG1 4.31Å; L67-V106 HydrophobicContact CD2-CG2 3.85Å; L94-V106 HydrophobicContact CD1-CG1 4.02Å; L94-V106 HydrophobicContact CD1-CG2 3.76Å; V97-V106 HydrophobicContact CG1-CG2 3.96Å; V106-Q108 PolarHBondContact O-N 2.93Å; V106-C109 WeakPolarHBondContact O-CB 3.21Å; V106-C109 PolarHBondContact O-N 2.94Å; V106-C109 VanDerWaalsContact O-N 3.09Å |
| 107 | A | 92.1 | Very high | 91.8 | Very high | 21 Ų | 21 | 58.5 Ų | 58.5 | 17% | 0.174 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -67.8 | -12.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | V26 S105 W114 | V26-A107 HydrophobicContact CG2-CB 3.52Å; S105-A107 PolarHBondContact O-N 3.11Å; S105-A107 PolarHBondContact OG-N 3.28Å; A107-W114 HydrophobicContact CB-CH2 4.29Å; A107-W114 HydrophobicContact CB-CZ2 3.88Å |
| 108 | Q | 92.5 | Very high | 91.5 | Very high | 91 Ų | 91 | 63.5 Ų | 63.5 | 43% | 0.425 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -89.2 | -11.1 | 174.8 | -62.3 | 170.1 | -18.3 | 0 | 0 | 112.4 | A23 E103 T104 S105 V106 | A23-Q108 HydrophobicContact CB-CG 3.96Å; E103-Q108 HydrophobicContact CB-CB 4.09Å; E103-Q108 HydrophobicContact CG-CB 4.02Å; T104-Q108 PolarHBondContact OG1-NE2 3.21Å; T104-Q108 VanDerWaalsContact OG1-NE2 3.15Å; T104-Q108 PolarHBondContact OG1-OE1 3.1Å; S105-Q108 WeakPolarHBondContact O-CB 3.49Å; S105-Q108 PolarHBondContact O-N 3.33Å; V106-Q108 PolarHBondContact O-N 2.93Å |
| 109 | C | 94 | Very high | 91.5 | Very high | 8 Ų | 8 | 57.8 Ų | 57.8 | 5% | 0.054 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -76 | 161.3 | 175.9 | -59.2 | 0 | 0 | 0 | 0 | 110.8 | V97 R98 C99 V106 F111 | V97-C109 HydrophobicContact CG1-CB 3.73Å; R98-C109 WeakPolarHBondContact O-CB 3.16Å; C99-C109 HydrophobicContact CB-CB 4.06Å; C99-C109 WeakPolarHBondContact CB-SG 3.18Å; C99-C109 WeakPolarHBondContact SG-CB 3.44Å; C99-C109 CovalentContact SG-SG 2.03Å; C99-C109 PolarHBondContact SG-SG 3.34Å; V106-C109 WeakPolarHBondContact O-CB 3.21Å; V106-C109 PolarHBondContact O-N 2.94Å; V106-C109 VanDerWaalsContact O-N 3.09Å; C109-F111 WeakPolarHBondContact O-CD1 3.5Å; C109-F111 WeakPolarHBondContact O-CE1 3.45Å |
| 110 | Q | 93.7 | Very high | 91.4 | Very high | 147 Ų | 147 | 64 Ų | 64 | 69% | 0.687 | 34% | 0.34 | S | S | * | . | B | Isolated β-bridge | trans | -81.8 | 127 | 174.7 | -174.8 | 177.9 | 4.6 | 0 | 0 | 109.4 | V97 R98 | V97-Q110 CarbonylContact C-O 3.49Å; V97-Q110 WeakPolarHBondContact CA-O 3.47Å; R98-Q110 PolarHBondContact N-O 2.83Å; R98-Q110 PolarHBondContact O-N 3.04Å |
| 111 | F | 94.1 | Very high | 91.7 | Very high | 45 Ų | 45 | 58.2 Ų | 58.2 | 20% | 0.197 | 31% | 0.313 | C | S | . | . | trans | -147.4 | 169.8 | 176.6 | 58 | -85.5 | 0 | 0 | 0 | 110.5 | L94 V97 C109 G113 W114 | L94-F111 HydrophobicContact CD2-CD1 4.11Å; L94-F111 HydrophobicContact CD2-CD2 3.43Å; L94-F111 VanDerWaalsContact CD2-CD2 3.43Å; L94-F111 HydrophobicContact CD2-CE1 4.13Å; L94-F111 HydrophobicContact CD2-CE2 3.43Å; L94-F111 VanDerWaalsContact CD2-CE2 3.43Å; L94-F111 HydrophobicContact CD2-CG 3.81Å; L94-F111 HydrophobicContact CD2-CZ 3.81Å; V97-F111 HydrophobicContact CB-CB 4.45Å; V97-F111 HydrophobicContact CG1-CB 4.41Å; V97-F111 HydrophobicContact CG2-CB 4.07Å; C109-F111 WeakPolarHBondContact O-CD1 3.5Å; C109-F111 WeakPolarHBondContact O-CE1 3.45Å; F111-G113 VanDerWaalsContact CD2-N 3.34Å; F111-G113 PolarHBondContact O-N 3.19Å; F111-G113 VanDerWaalsContact O-N 3.1Å; F111-W114 HydrophobicContact CE2-CD2 4.04Å; F111-W114 HydrophobicContact CE2-CG 4.09Å; F111-W114 HydrophobicContact CZ-CD2 4.16Å; F111-W114 AromaticContact CZ-CE2 3.66Å; F111-W114 HydrophobicContact CZ-CG 4.44Å; F111-W114 AromaticContact CZ-CZ2 3.94Å; F111-W114 HydrophobicContact CZ-CZ2 3.94Å; F111-W114 AromaticContact CZ-NE1 3.68Å | ||
| 112 | R | 86.3 | Confident | 92 | Very high | 116 Ų | 116 | 59.2 Ų | 59.2 | 44% | 0.438 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -68.3 | -7 | -173.6 | -71.3 | 171.4 | 79.9 | 175.5 | 4.9 | 115.4 | D95 T96 I116 D118 | D95-R112 PolarHBondContact O-N 3.42Å; D95-R112 VanDerWaalsContact OD2-CD 3.3Å; D95-R112 WeakPolarHBondContact OD2-CD 3.39Å; D95-R112 IonicContact OD2-CZ 2.93Å; D95-R112 IonicContact OD2-NE 2.98Å; D95-R112 IonicContact OD2-NH1 3.62Å; D95-R112 PolarHBondContact OD2-NH1 2.83Å; T96-R112 VanDerWaalsContact OG1-CD 3.3Å; T96-R112 WeakPolarHBondContact OG1-CD 3.29Å; R112-I116 HydrophobicContact CB-CG2 4.33Å; R112-D118 IonicContact CZ-OD1 3.94Å; R112-D118 IonicContact CZ-OD2 2.87Å; R112-D118 VanDerWaalsContact NH1-CG 3.26Å; R112-D118 IonicContact NH1-OD1 3.51Å; R112-D118 PolarHBondContact NH1-OD1 3.27Å; R112-D118 IonicContact NH1-OD2 3.33Å; R112-D118 PolarHBondContact NH1-OD2 3.29Å; R112-D118 IonicContact NH2-OD1 3.06Å; R112-D118 IonicContact NH2-OD2 3.06Å; R112-D118 PolarHBondContact NH2-OD2 2.82Å |
| 113 | G | 89.6 | Confident | 92.3 | Very high | 21 Ų | 21 | 58.3 Ų | 58.3 | 22% | 0.216 | 30% | 0.303 | C | S | . | . | trans | 112.4 | 156.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F111 G115 I116 | F111-G113 VanDerWaalsContact CD2-N 3.34Å; F111-G113 PolarHBondContact O-N 3.19Å; F111-G113 VanDerWaalsContact O-N 3.1Å; G113-G115 PolarHBondContact O-N 3.16Å; G113-I116 PolarHBondContact O-N 2.67Å | ||
| 114 | W | 93.4 | Very high | 92.4 | Very high | 66 Ų | 66 | 57.2 Ų | 57.2 | 25% | 0.25 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 119.3 | -173.9 | -68.9 | 103.3 | 0 | 0 | 0 | 112 | V26 V45 Y47 W93 L94 A107 F111 I116 | V26-W114 HydrophobicContact CB-CH2 4.36Å; V26-W114 HydrophobicContact CG1-CH2 3.65Å; V26-W114 HydrophobicContact CG1-CZ2 3.98Å; V26-W114 HydrophobicContact CG2-CH2 4.21Å; V45-W114 HydrophobicContact CG1-CH2 4.14Å; V45-W114 HydrophobicContact CG1-CZ3 3.98Å; Y47-W114 HydrophobicContact CD1-CB 4.08Å; Y47-W114 AromaticContact CD1-CD2 3.76Å; Y47-W114 HydrophobicContact CD1-CD2 3.76Å; Y47-W114 AromaticContact CD1-CE3 3.66Å; Y47-W114 HydrophobicContact CD1-CE3 3.66Å; Y47-W114 AromaticContact CD1-CG 3.96Å; Y47-W114 HydrophobicContact CD1-CG 3.96Å; Y47-W114 HydrophobicContact CD1-CZ3 4.39Å; Y47-W114 AromaticContact CD2-CD2 3.71Å; Y47-W114 HydrophobicContact CD2-CD2 3.71Å; Y47-W114 AromaticContact CD2-CE2 3.68Å; Y47-W114 AromaticContact CD2-CE3 3.79Å; Y47-W114 HydrophobicContact CD2-CE3 3.79Å; Y47-W114 HydrophobicContact CD2-CG 4.4Å; Y47-W114 AromaticContact CD2-CH2 3.92Å; Y47-W114 HydrophobicContact CD2-CH2 3.92Å; Y47-W114 AromaticContact CD2-CZ2 3.8Å; Y47-W114 HydrophobicContact CD2-CZ2 3.8Å; Y47-W114 AromaticContact CD2-CZ3 3.89Å; Y47-W114 HydrophobicContact CD2-CZ3 3.89Å; Y47-W114 HydrophobicContact CE1-CB 3.56Å; Y47-W114 AromaticContact CE1-CD1 3.97Å; Y47-W114 AromaticContact CE1-CD2 3.72Å; Y47-W114 HydrophobicContact CE1-CD2 3.72Å; Y47-W114 HydrophobicContact CE1-CE3 4.12Å; Y47-W114 AromaticContact CE1-CG 3.46Å; Y47-W114 HydrophobicContact CE1-CG 3.46Å; Y47-W114 VanDerWaalsContact CE1-CG 3.46Å; Y47-W114 AromaticContact CE2-CD1 3.9Å; Y47-W114 AromaticContact CE2-CD2 3.67Å; Y47-W114 HydrophobicContact CE2-CD2 3.67Å; Y47-W114 AromaticContact CE2-CE2 3.48Å; Y47-W114 VanDerWaalsContact CE2-CE2 3.48Å; Y47-W114 HydrophobicContact CE2-CE3 4.24Å; Y47-W114 AromaticContact CE2-CG 3.96Å; Y47-W114 HydrophobicContact CE2-CG 3.96Å; Y47-W114 AromaticContact CE2-CZ2 3.96Å; Y47-W114 HydrophobicContact CE2-CZ2 3.96Å; Y47-W114 AromaticContact CE2-NE1 3.59Å; Y47-W114 AromaticContact CG-CD2 3.76Å; Y47-W114 HydrophobicContact CG-CD2 3.76Å; Y47-W114 AromaticContact CG-CE3 3.48Å; Y47-W114 HydrophobicContact CG-CE3 3.48Å; Y47-W114 VanDerWaalsContact CG-CE3 3.48Å; Y47-W114 HydrophobicContact CG-CG 4.4Å; Y47-W114 HydrophobicContact CG-CH2 4.26Å; Y47-W114 HydrophobicContact CG-CZ2 4.46Å; Y47-W114 AromaticContact CG-CZ3 3.75Å; Y47-W114 HydrophobicContact CG-CZ3 3.75Å; Y47-W114 AromaticContact CZ-CD1 3.47Å; Y47-W114 VanDerWaalsContact CZ-CD1 3.47Å; Y47-W114 AromaticContact CZ-CD2 3.67Å; Y47-W114 AromaticContact CZ-CE2 3.86Å; Y47-W114 AromaticContact CZ-CG 3.45Å; Y47-W114 VanDerWaalsContact CZ-CG 3.45Å; Y47-W114 AromaticContact CZ-NE1 3.69Å; W93-W114 HydrophobicContact CB-CE3 4.07Å; W93-W114 HydrophobicContact CB-CZ3 4.19Å; W93-W114 HydrophobicContact CG-CE3 4.47Å; L94-W114 HydrophobicContact CD1-CZ3 4.41Å; L94-W114 HydrophobicContact CD2-CD2 4.29Å; L94-W114 HydrophobicContact CD2-CE3 3.74Å; L94-W114 HydrophobicContact CD2-CH2 3.92Å; L94-W114 HydrophobicContact CD2-CZ2 4.47Å; L94-W114 HydrophobicContact CD2-CZ3 3.54Å; L94-W114 HydrophobicContact CG-CE3 4.44Å; L94-W114 HydrophobicContact CG-CZ3 3.99Å; A107-W114 HydrophobicContact CB-CH2 4.29Å; A107-W114 HydrophobicContact CB-CZ2 3.88Å; F111-W114 HydrophobicContact CE2-CD2 4.04Å; F111-W114 HydrophobicContact CE2-CG 4.09Å; F111-W114 HydrophobicContact CZ-CD2 4.16Å; F111-W114 AromaticContact CZ-CE2 3.66Å; F111-W114 HydrophobicContact CZ-CG 4.44Å; F111-W114 AromaticContact CZ-CZ2 3.94Å; F111-W114 HydrophobicContact CZ-CZ2 3.94Å; F111-W114 AromaticContact CZ-NE1 3.68Å; W114-I116 PolarHBondContact O-N 2.03Å |
| 115 | G | 88.9 | Confident | 92.8 | Very high | 29 Ų | 29 | 52.7 Ų | 52.7 | 30% | 0.299 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 9.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | I92 W93 G113 | I92-G115 WeakPolarHBondContact O-CA 3.43Å; W93-G115 PolarHBondContact O-N 2.8Å; G113-G115 PolarHBondContact O-N 3.16Å |
| 116 | I | 91.9 | Very high | 93 | Very high | 97 Ų | 97 | 52.2 Ų | 52.2 | 50% | 0.497 | 27% | 0.267 | S | S | . | . | trans | -97.6 | 106 | 172.7 | -58.6 | 176.6 | 0 | 0 | 0 | 107 | R112 G113 W114 | R112-I116 HydrophobicContact CB-CG2 4.33Å; G113-I116 PolarHBondContact O-N 2.67Å; W114-I116 PolarHBondContact O-N 2.03Å | ||
| 117 | N | 92.5 | Very high | 93.1 | Very high | 51 Ų | 51 | 52.2 Ų | 52.2 | 27% | 0.273 | 27% | 0.267 | S | S | . | . | trans | -150.3 | 159 | 178.7 | 65.4 | 89.5 | 0 | 0 | 0 | 108.9 | I92 D95 C119 | I92-N117 HydrophobicContact CG2-CB 4.34Å; I92-N117 PolarHBondContact O-ND2 3.39Å; D95-N117 HydrophobicContact CB-CB 3.54Å; D95-N117 WeakPolarHBondContact OD2-CA 3.43Å; N117-C119 PolarHBondContact OD1-N 2.72Å; N117-C119 PolarHBondContact OD1-O 3.47Å | ||
| 118 | D | 88.7 | Confident | 93.3 | Very high | 106 Ų | 106 | 52.4 Ų | 52.4 | 57% | 0.567 | 27% | 0.265 | S | S | * | . | trans | -114 | 14.8 | 167.3 | 38.5 | 16.1 | 0 | 0 | 0 | 112.2 | R112 | R112-D118 IonicContact CZ-OD1 3.94Å; R112-D118 IonicContact CZ-OD2 2.87Å; R112-D118 VanDerWaalsContact NH1-CG 3.26Å; R112-D118 IonicContact NH1-OD1 3.51Å; R112-D118 PolarHBondContact NH1-OD1 3.27Å; R112-D118 IonicContact NH1-OD2 3.33Å; R112-D118 PolarHBondContact NH1-OD2 3.29Å; R112-D118 IonicContact NH2-OD1 3.06Å; R112-D118 IonicContact NH2-OD2 3.06Å; R112-D118 PolarHBondContact NH2-OD2 2.82Å | ||
| 119 | C | 92.5 | Very high | 93.5 | Very high | 13 Ų | 13 | 48 Ų | 48 | 9% | 0.088 | 24% | 0.244 | C | C | . | . | trans | -88.1 | 155.8 | -175.8 | -50.8 | 0 | 0 | 0 | 0 | 113.7 | C55 I92 N117 E123 | C55-C119 HydrophobicContact CB-CB 3.75Å; C55-C119 WeakPolarHBondContact CB-SG 3.29Å; C55-C119 WeakPolarHBondContact SG-CB 3.35Å; C55-C119 CovalentContact SG-SG 2.02Å; C55-C119 PolarHBondContact SG-SG 3.33Å; I92-C119 HydrophobicContact CD1-CB 3.95Å; I92-C119 WeakPolarHBondContact CD1-O 3.36Å; N117-C119 PolarHBondContact OD1-N 2.72Å; N117-C119 PolarHBondContact OD1-O 3.47Å; C119-E123 WeakPolarHBondContact CA-OE2 3.49Å; C119-E123 HydrophobicContact CB-CB 4.2Å; C119-E123 WeakPolarHBondContact CB-OE2 3.43Å | ||
| 120 | E | 93.5 | Very high | 93.3 | Very high | 141 Ų | 141 | 47.7 Ų | 47.7 | 66% | 0.659 | 24% | 0.242 | S | C | * | . | trans | -99.9 | 164 | 165.3 | -66.7 | -171.5 | 179.6 | 0 | 0 | 111.3 | S122 E123 | E120-S122 PolarHBondContact O-N 3.31Å; E120-S122 VanDerWaalsContact O-N 3.07Å; E120-E123 PolarHBondContact N-OE2 3.36Å; E120-E123 WeakPolarHBondContact O-CB 3.23Å; E120-E123 PolarHBondContact O-N 3.16Å | ||
| 121 | H | 96.3 | Very high | 93 | Very high | 36 Ų | 36 | 44.3 Ų | 44.3 | 17% | 0.167 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -65.5 | -12.6 | 178.1 | -80.7 | -55.6 | 0 | 0 | 0 | 113.8 | T53 A83 Q87 G90 E123 D124 | T53-H121 PolarHBondContact OG1-CE1 3.44Å; T53-H121 PolarHBondContact OG1-ND1 2.75Å; A83-H121 VanDerWaalsContact CB-O 3.32Å; A83-H121 WeakPolarHBondContact CB-O 3.14Å; Q87-H121 HydrophobicContact CB-CB 4.07Å; Q87-H121 WeakPolarHBondContact CG-O 3.02Å; G90-H121 PolarHBondContact N-NE2 2.88Å; G90-H121 PolarHBondContact O-NE2 2.79Å; G90-H121 VanDerWaalsContact O-NE2 3.14Å; H121-E123 PolarHBondContact O-N 3.11Å; H121-D124 IonicContact CE1-OD2 2.83Å; H121-D124 IonicContact CG-OD2 3.94Å; H121-D124 IonicContact ND1-OD1 3.53Å; H121-D124 PolarHBondContact ND1-OD1 3.24Å; H121-D124 VanDerWaalsContact ND1-OD1 3.16Å; H121-D124 IonicContact ND1-OD2 3.32Å; H121-D124 PolarHBondContact ND1-OD2 3.5Å; H121-D124 VanDerWaalsContact O-CG 3.28Å; H121-D124 PolarHBondContact O-N 2.99Å |
| 122 | S | 91.9 | Very high | 92.7 | Very high | 43 Ų | 43 | 46.1 Ų | 46.1 | 30% | 0.301 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -63.6 | -14.7 | 166.9 | 50 | 0 | 0 | 0 | 0 | 113 | S82 A83 E120 | S82-S122 CarbonylContact C-O 3.51Å; S82-S122 WeakPolarHBondContact CA-O 3.22Å; A83-S122 PolarHBondContact N-O 3.35Å; E120-S122 PolarHBondContact O-N 3.31Å; E120-S122 VanDerWaalsContact O-N 3.07Å |
| 123 | E | 95.9 | Very high | 92.7 | Very high | 62 Ų | 62 | 43.9 Ų | 43.9 | 29% | 0.29 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -108.4 | 18.2 | -177.9 | -64 | 170.4 | 128.6 | 0 | 0 | 111.5 | C55 D56 C119 E120 H121 L125 | C55-E123 CarbonylContact C-O 3.49Å; C55-E123 WeakPolarHBondContact CA-O 3.27Å; D56-E123 WeakPolarHBondContact CB-O 3.25Å; D56-E123 PolarHBondContact N-O 2.04Å; D56-E123 WeakPolarHBondContact OD1-CB 3.44Å; D56-E123 VanDerWaalsContact OD1-O 3.13Å; C119-E123 WeakPolarHBondContact CA-OE2 3.49Å; C119-E123 HydrophobicContact CB-CB 4.2Å; C119-E123 WeakPolarHBondContact CB-OE2 3.43Å; E120-E123 PolarHBondContact N-OE2 3.36Å; E120-E123 WeakPolarHBondContact O-CB 3.23Å; E120-E123 PolarHBondContact O-N 3.16Å; H121-E123 PolarHBondContact O-N 3.11Å; E123-L125 PolarHBondContact O-N 2.89Å |
| 124 | D | 96.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -68.9 | 124.7 | 178.9 | -73.3 | -27.5 | 0 | 0 | 0 | 111.7 | R42 T53 A83 G88 H121 | R42-D124 HydrophobicContact CG-CB 4.05Å; T53-D124 WeakPolarHBondContact CB-OD1 3.05Å; T53-D124 HydrophobicContact CG2-CB 4.49Å; T53-D124 WeakPolarHBondContact CG2-OD2 3.34Å; T53-D124 PolarHBondContact OG1-OD1 3.41Å; A83-D124 VanDerWaalsContact CA-O 3.31Å; A83-D124 WeakPolarHBondContact CA-O 3.41Å; A83-D124 HydrophobicContact CB-CB 4.28Å; A83-D124 PolarHBondContact N-O 3.15Å; G88-D124 WeakPolarHBondContact CA-OD2 3.07Å; G88-D124 PolarHBondContact N-OD2 3.13Å; H121-D124 IonicContact CE1-OD2 2.83Å; H121-D124 IonicContact CG-OD2 3.94Å; H121-D124 IonicContact ND1-OD1 3.53Å; H121-D124 PolarHBondContact ND1-OD1 3.24Å; H121-D124 VanDerWaalsContact ND1-OD1 3.16Å; H121-D124 IonicContact ND1-OD2 3.32Å; H121-D124 PolarHBondContact ND1-OD2 3.5Å; H121-D124 VanDerWaalsContact O-CG 3.28Å; H121-D124 PolarHBondContact O-N 2.99Å |
| 125 | L | 97.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | trans | -68.5 | 130.9 | 178.9 | 179.8 | 62.3 | 0 | 0 | 0 | 112.1 | V43 V54 D56 V59 L63 L67 W79 E123 | V43-L125 PolarHBondContact N-O 3.1Å; V54-L125 HydrophobicContact CB-CB 4.15Å; V54-L125 HydrophobicContact CB-CD2 4.28Å; V54-L125 HydrophobicContact CG1-CB 4.25Å; V54-L125 HydrophobicContact CG1-CD2 3.72Å; V54-L125 WeakPolarHBondContact O-CB 3.37Å; V54-L125 PolarHBondContact O-N 3.14Å; D56-L125 HydrophobicContact CB-CB 4.14Å; D56-L125 HydrophobicContact CB-CD1 4.08Å; V59-L125 HydrophobicContact CB-CD1 4.31Å; V59-L125 HydrophobicContact CG1-CD1 3.89Å; V59-L125 HydrophobicContact CG1-CD2 4.29Å; V59-L125 HydrophobicContact CG2-CD1 3.98Å; V59-L125 HydrophobicContact CG2-CD2 3.91Å; V59-L125 HydrophobicContact CG2-CG 4.5Å; L63-L125 HydrophobicContact CD2-CD2 3.81Å; L67-L125 HydrophobicContact CD1-CD2 3.94Å; W79-L125 HydrophobicContact CB-CD1 4.03Å; W79-L125 HydrophobicContact CG-CD1 4.36Å; E123-L125 PolarHBondContact O-N 2.89Å | ||
| 126 | G | 96.7 | Very high | 90.7 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 162.1 | 164 | 0 | 0 | 0 | 0 | 0 | 113.1 | G41 W79 A80 | G41-G126 CarbonylContact O-C 3.59Å; G41-G126 WeakPolarHBondContact O-CA 3.13Å; W79-G126 CarbonylContact C-O 3.34Å; W79-G126 WeakPolarHBondContact CA-O 3.43Å; W79-G126 WeakPolarHBondContact CB-O 3.49Å; A80-G126 PolarHBondContact N-O 2.91Å; A80-G126 PolarHBondContact O-N 3.44Å |
| 127 | V | 96.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 152.2 | 171.8 | -64.1 | 0 | 0 | 0 | 0 | 111.7 | L30 E40 G41 V43 A64 L67 L71 W79 | L30-V127 HydrophobicContact CD2-CG2 3.52Å; E40-V127 VanDerWaalsContact CA-O 3.28Å; E40-V127 WeakPolarHBondContact CA-O 3.1Å; G41-V127 PolarHBondContact N-O 3.04Å; G41-V127 VanDerWaalsContact N-O 3.13Å; G41-V127 PolarHBondContact O-N 3.08Å; V43-V127 HydrophobicContact CG2-CB 4.25Å; V43-V127 HydrophobicContact CG2-CG1 3.82Å; V43-V127 HydrophobicContact CG2-CG2 3.68Å; A64-V127 HydrophobicContact CB-CG1 4.36Å; L67-V127 HydrophobicContact CB-CG1 4.31Å; L67-V127 HydrophobicContact CD1-CG1 3.86Å; L71-V127 HydrophobicContact CD1-CG2 4.3Å; W79-V127 HydrophobicContact CB-CG1 4.34Å |
| 128 | I | 95.8 | Very high | 88.4 | Confident | 25 Ų | 25 | 55.4 Ų | 55.4 | 13% | 0.128 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 107.1 | 171.3 | -55.6 | 177.8 | 0 | 0 | 0 | 106.9 | E40 F77 T78 F85 | E40-I128 HydrophobicContact CB-CB 4.33Å; E40-I128 HydrophobicContact CB-CG1 4Å; E40-I128 HydrophobicContact CB-CG2 4.25Å; F77-I128 HydrophobicContact CB-CG2 4.47Å; F77-I128 HydrophobicContact CD2-CG2 4.38Å; F77-I128 PolarHBondContact N-O 3.03Å; T78-I128 HydrophobicContact CG2-CB 4.04Å; T78-I128 HydrophobicContact CG2-CD1 3.87Å; T78-I128 HydrophobicContact CG2-CG1 4.23Å; T78-I128 PolarHBondContact N-O 3.46Å; T78-I128 PolarHBondContact O-N 3.36Å; F85-I128 HydrophobicContact CE2-CG1 4.42Å; F85-I128 HydrophobicContact CZ-CD1 4.38Å; F85-I128 HydrophobicContact CZ-CG1 3.99Å |
| 129 | C | 95.8 | Very high | 87 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 164.4 | -178.5 | -53.4 | 0 | 0 | 0 | 0 | 111.6 | N39 C68 F73 F77 | N39-C129 HydrophobicContact CB-CB 4.19Å; N39-C129 PolarHBondContact ND2-O 3.09Å; N39-C129 WeakPolarHBondContact O-CB 3.48Å; N39-C129 PolarHBondContact O-N 3.28Å; C68-C129 WeakPolarHBondContact CA-SG 3.24Å; C68-C129 HydrophobicContact CB-CB 3.66Å; C68-C129 WeakPolarHBondContact CB-SG 3.46Å; C68-C129 WeakPolarHBondContact SG-CA 3.07Å; C68-C129 WeakPolarHBondContact SG-CB 3.5Å; C68-C129 CovalentContact SG-SG 2.04Å; C68-C129 PolarHBondContact SG-SG 3.36Å; F73-C129 HydrophobicContact CB-CB 3.7Å; F73-C129 HydrophobicContact CD1-CB 4.27Å; F73-C129 HydrophobicContact CD2-CB 3.54Å; F73-C129 HydrophobicContact CE2-CB 4.23Å; F73-C129 HydrophobicContact CG-CB 3.56Å; F77-C129 WeakPolarHBondContact CD2-O 3.43Å |
| 130 | S | 91.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 33% | 0.332 | C | S | . | . | trans | -71.7 | 146.2 | 169.5 | 86.1 | 0 | 0 | 0 | 0 | 109.9 | F73 R75 E132 | F73-S130 WeakPolarHBondContact CD1-O 3.4Å; R75-S130 PolarHBondContact N-OG 2.92Å; R75-S130 PolarHBondContact O-N 2.81Å; S130-E132 WeakPolarHBondContact CB-OE2 3.32Å; S130-E132 PolarHBondContact O-N 2.7Å; S130-E132 PolarHBondContact OG-OE2 3.45Å | ||
| 131 | P | 86.4 | Confident | 83.5 | Confident | 76 Ų | 76 | 57.5 Ų | 57.5 | 49% | 0.494 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -69 | -19.2 | -177.9 | 27.8 | -34.2 | 0 | 0 | 0 | 112.4 | R133 | P131-R133 PolarHBondContact O-N 2.86Š|
| 132 | E | 88 | Confident | 81.3 | Confident | 83 Ų | 83 | 60.7 Ų | 60.7 | 39% | 0.388 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 124.6 | 178.3 | -52 | 80.9 | -172.7 | 0 | 0 | 111.3 | F73 Q74 S130 | F73-E132 WeakPolarHBondContact CA-O 3.5Å; Q74-E132 HydrophobicContact CB-CB 4.13Å; Q74-E132 PolarHBondContact N-O 3.36Å; S130-E132 WeakPolarHBondContact CB-OE2 3.32Å; S130-E132 PolarHBondContact O-N 2.7Å; S130-E132 PolarHBondContact OG-OE2 3.45Å |
| 133 | R | 87.1 | Confident | 79.1 | Confident | 70 Ų | 70 | 67 Ų | 67 | 26% | 0.264 | 38% | 0.378 | S | S | . | . | B | Isolated β-bridge | trans | -86.7 | 147.8 | 176.3 | -61 | -72 | -79.1 | 174.2 | -2.1 | 110.5 | L71 G72 F73 P131 P138 | L71-R133 PolarHBondContact O-NH1 3.11Å; G72-R133 WeakPolarHBondContact O-CA 3.36Å; F73-R133 VanDerWaalsContact CZ-NH1 3.32Å; P131-R133 PolarHBondContact O-N 2.86Å; R133-P138 PolarHBondContact NE-O 2.96Å; R133-P138 PolarHBondContact NH2-O 3.4Å |
| 134 | R | 84.3 | Confident | 76.5 | Confident | 100 Ų | 100 | 72.9 Ų | 72.9 | 38% | 0.377 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 144.6 | 173.1 | -65.8 | 177.1 | 73.1 | -159.3 | 0.3 | 110 | R69 G72 F73 G136 F137 | R69-R134 PolarHBondContact O-NH1 2.87Å; G72-R134 PolarHBondContact O-N 3.32Å; F73-R134 WeakPolarHBondContact O-CD 3.33Å; F73-R134 WeakPolarHBondContact O-CG 3.38Å; R134-G136 PolarHBondContact O-N 3.2Å; R134-F137 HydrophobicContact CB-CD2 3.76Å; R134-F137 HydrophobicContact CB-CE2 4.02Å; R134-F137 PolarHBondContact O-N 3.26Å |
| 135 | P | 74.6 | Confident | 73.5 | Confident | 134 Ų | 134 | 79.2 Ų | 79.2 | 87% | 0.87 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 126 | 175.3 | -23.6 | 32.7 | 0 | 0 | 0 | 110.7 | ||
| 136 | G | 70.3 | Confident | 70.6 | Confident | 85 Ų | 85 | 83.9 Ų | 83.9 | 88% | 0.876 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.8 | 1.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | R134 | R134-G136 PolarHBondContact O-N 3.2Š|
| 137 | F | 70.6 | Confident | 67.6 | Low | 93 Ų | 93 | 89.3 Ų | 89.3 | 41% | 0.408 | 52% | 0.521 | S | S | . | . | trans | -107.8 | 131.4 | 174.8 | -70.8 | -96.5 | 0 | 0 | 0 | 111.7 | R134 | R134-F137 HydrophobicContact CB-CD2 3.76Å; R134-F137 HydrophobicContact CB-CE2 4.02Å; R134-F137 PolarHBondContact O-N 3.26Å | ||
| 138 | P | 65.4 | Low | 64.5 | Low | 94 Ų | 94 | 94.8 Ų | 94.8 | 61% | 0.61 | 56% | 0.559 | S | S | * | * | trans | -65.5 | 158.1 | 176.4 | 24.2 | -30.6 | 0 | 0 | 0 | 112.3 | R133 A140 | R133-P138 PolarHBondContact NE-O 2.96Å; R133-P138 PolarHBondContact NH2-O 3.4Å; P138-A140 PolarHBondContact O-N 2.95Å | ||
| 139 | P | 59 | Low | 61.4 | Low | 111 Ų | 111 | 99.2 Ų | 99.2 | 72% | 0.721 | 59% | 0.593 | S | S | * | * | trans | -62.5 | 133.7 | 176.3 | 24 | -30.7 | 0 | 0 | 0 | 110.6 | I141 | P139-I141 PolarHBondContact O-N 3.3Š| ||
| 140 | A | 56.8 | Low | 58.3 | Low | 47 Ų | 47 | 102.9 Ų | 102.9 | 39% | 0.388 | 63% | 0.63 | S | S | . | * | trans | -75.6 | 114.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | A38 P138 | A38-A140 HydrophobicContact CB-CB 3.85Å; P138-A140 PolarHBondContact O-N 2.95Å | ||
| 141 | I | 57 | Low | 55.6 | Low | 145 Ų | 145 | 112.1 Ų | 112.1 | 74% | 0.744 | 67% | 0.674 | S | S | * | * | trans | -87.5 | 137.7 | 173.3 | -58.5 | 174.6 | 0 | 0 | 0 | 107.9 | P139 E143 | P139-I141 PolarHBondContact O-N 3.3Å; I141-E143 PolarHBondContact O-N 2.89Å; I141-E143 VanDerWaalsContact O-N 3.1Å | ||
| 142 | L | 49.5 | Very low | 52.8 | Low | 103 Ų | 103 | 111.8 Ų | 111.8 | 54% | 0.539 | 68% | 0.683 | S | S | . | * | trans | -69.1 | 100.5 | 170 | -68.3 | 168.2 | 0 | 0 | 0 | 108.2 | A38 E144 | A38-L142 HydrophobicContact CB-CD2 3.97Å; A38-L142 HydrophobicContact CB-CG 4.39Å; L142-E144 PolarHBondContact O-N 3.03Å | ||
| 143 | E | 45.7 | Very low | 50.4 | Low | 175 Ų | 175 | 114.1 Ų | 114.1 | 82% | 0.818 | 71% | 0.706 | S | S | * | * | trans | -77.7 | 101.2 | 168.3 | -76.3 | -172 | 164.7 | 0 | 0 | 109.3 | I141 T145 | I141-E143 PolarHBondContact O-N 2.89Å; I141-E143 VanDerWaalsContact O-N 3.1Å; E143-T145 PolarHBondContact O-N 3.34Å | ||
| 144 | E | 40.2 | Very low | 47.8 | Very low | 187 Ų | 187 | 116.2 Ų | 116.2 | 87% | 0.874 | 73% | 0.732 | S | S | * | * | trans | -67.8 | 110.1 | 161.6 | -85.5 | -178.6 | 151.1 | 0 | 0 | 108.9 | L142 A146 | L142-E144 PolarHBondContact O-N 3.03Å; E144-A146 PolarHBondContact O-N 2.93Å; E144-A146 VanDerWaalsContact O-N 3.09Å | ||
| 145 | T | 35.2 | Very low | 45.3 | Very low | 134 Ų | 134 | 120.8 Ų | 120.8 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | -76.6 | 93.7 | 165.3 | 35.9 | 0 | 0 | 0 | 0 | 108.6 | E143 S147 | E143-T145 PolarHBondContact O-N 3.34Å; T145-S147 PolarHBondContact O-N 3.4Å | ||
| 146 | A | 36.9 | Very low | 43.1 | Very low | 99 Ų | 99 | 123 Ų | 123 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | -65.8 | 111.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | E144 S148 | E144-A146 PolarHBondContact O-N 2.93Å; E144-A146 VanDerWaalsContact O-N 3.09Å; A146-S148 PolarHBondContact O-N 2.88Å | ||
| 147 | S | 32.8 | Very low | 41.2 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | -94.1 | 90.9 | 166 | 52.4 | 0 | 0 | 0 | 0 | 110.1 | T145 | T145-S147 PolarHBondContact O-N 3.4Š| ||
| 148 | S | 31.9 | Very low | 39.4 | Very low | 114 Ų | 114 | 135.6 Ų | 135.6 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | 16.8 | 99.4 | 150.3 | 65.4 | 0 | 0 | 0 | 0 | 119.8 | A146 | A146-S148 PolarHBondContact O-N 2.88Š| ||
| 149 | S | 30.4 | Very low | 37.7 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | -100.6 | 95.6 | 138.9 | 46.1 | 0 | 0 | 0 | 0 | 108.3 | Q151 | S149-Q151 PolarHBondContact O-N 3.25Š| ||
| 150 | G | 31.7 | Very low | 36.3 | Very low | 77 Ų | 77 | 142.5 Ų | 142.5 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | -73.2 | 107.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 151 | Q | 33.1 | Very low | 35.2 | Very low | 194 Ų | 194 | 145.7 Ų | 145.7 | 91% | 0.907 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 124.5 | 157.9 | -75.2 | 179.7 | -20.9 | 0 | 0 | 108.9 | S149 | S149-Q151 PolarHBondContact O-N 3.25Š|
| 152 | G | 28.9 | Very low | 34.5 | Very low | 68 Ų | 68 | 144.5 Ų | 144.5 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 154.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 153 | P | 36.9 | Very low | 35.2 | Very low | 132 Ų | 132 | 144.9 Ų | 144.9 | 86% | 0.857 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -85 | 152.8 | 173.3 | 34.2 | -30.2 | 0 | 0 | 0 | 111.6 | ||
| 154 | S | 32 | Very low | 35 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -57 | 137.5 | 177.2 | 38.1 | 0 | 0 | 0 | 0 | 114.4 | ||
| 155 | Q | 31.8 | Very low | 35.6 | Very low | 195 Ų | 195 | 139 Ų | 139 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | trans | -163.7 | 161.7 | 146.8 | -107.7 | 172.1 | 36.9 | 0 | 0 | 112 | ||||
| 156 | Q | 28.9 | Very low | 35.5 | Very low | 182 Ų | 182 | 139.1 Ų | 139.1 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | trans | -77.7 | 161 | -149.1 | -66.9 | 159.2 | -43.7 | 0 | 0 | 117.3 | ||||
| 157 | R | 31.2 | Very low | 35.2 | Very low | 238 Ų | 238 | 142.8 Ų | 142.8 | 90% | 0.898 | 82% | 0.815 | S | S | * | * | trans | 12.9 | 123.6 | 148.7 | -77.6 | 178.4 | 165.4 | -166.8 | -3.5 | 117.7 | ||||
| 158 | Q | 31.2 | Very low | 35.8 | Very low | 203 Ų | 203 | 142.9 Ų | 142.9 | 95% | 0.949 | 81% | 0.813 | S | S | * | * | -179.8 | 174.7 | 113.4 | -98.4 | 179.6 | 10.3 | 0 | 0 | 112.5 | |||||
| 159 | R | 30.8 | Very low | 35.5 | Very low | 223 Ų | 223 | 142.3 Ų | 142.3 | 84% | 0.842 | 82% | 0.816 | S | S | * | * | trans | -93.6 | 164.1 | -146.5 | -130.7 | -178.6 | -166.3 | -162.7 | 1 | 115.1 | ||||
| 160 | N | 30.2 | Very low | 35.4 | Very low | 127 Ų | 127 | 143.1 Ų | 143.1 | 68% | 0.679 | 82% | 0.816 | S | S | * | * | trans | 99.6 | 108.6 | 147.8 | -61.6 | -15.4 | 0 | 0 | 0 | 121.1 | ||||
| 161 | S | 32.6 | Very low | 35.8 | Very low | 114 Ų | 114 | 145.2 Ų | 145.2 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | 57.6 | 153.7 | 115.2 | -56.1 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 162 | P | 43.7 | Very low | 35.5 | Very low | 120 Ų | 120 | 140.6 Ų | 140.6 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | trans | -114.2 | -152.5 | -147.3 | 37.3 | -19.1 | 0 | 0 | 0 | 114.9 | ||||
| 163 | P | 63.5 | Low | 35.4 | Very low | 112 Ų | 112 | 145.3 Ų | 145.3 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | -98.7 | -170.8 | -96.9 | 39 | -20.5 | 0 | 0 | 0 | 113.1 | |||||
| 164 | P | 40.6 | Very low | 34.9 | Very low | 122 Ų | 122 | 143.9 Ų | 143.9 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | -154.9 | 177.7 | 103.5 | 34.6 | -11.5 | 0 | 0 | 0 | 116.6 | |||||
| 165 | P | 54.5 | Low | 34.6 | Very low | 115 Ų | 115 | 150 Ų | 150 | 75% | 0.747 | 82% | 0.82 | S | S | * | * | trans | -104.6 | 179.7 | -161.7 | 37.5 | -27.2 | 0 | 0 | 0 | 114.6 | ||||
| 166 | V | 31.2 | Very low | 34.4 | Very low | 137 Ų | 137 | 145.4 Ų | 145.4 | 83% | 0.83 | 81% | 0.809 | S | S | * | * | trans | 158.9 | 133.1 | 130.1 | 163.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 167 | Q | 31.3 | Very low | 34.5 | Very low | 176 Ų | 176 | 141 Ų | 141 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | -82.2 | -163.9 | 169.5 | -56.6 | -179.7 | -17.9 | 0 | 0 | 110.2 | ||||
| 168 | P | 45.3 | Very low | 34.6 | Very low | 118 Ų | 118 | 140.6 Ų | 140.6 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | cis | -136.3 | 170.6 | -10.1 | 39.2 | -20.6 | 0 | 0 | 0 | 114.8 | ||||
| 169 | A | 26 | Very low | 34.3 | Very low | 102 Ų | 102 | 134.3 Ų | 134.3 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | 163.4 | 141 | 132.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 170 | T | 27.9 | Very low | 34.2 | Very low | 136 Ų | 136 | 133.3 Ų | 133.3 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | trans | -95.5 | -167.2 | -173.9 | 46.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 171 | P | 41.2 | Very low | 33.9 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | -129.7 | 162.4 | -58.3 | 35.1 | -19.4 | 0 | 0 | 0 | 113.1 | |||||
| 172 | A | 25.4 | Very low | 33.8 | Very low | 97 Ų | 97 | 138.6 Ų | 138.6 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | -157.8 | 121.8 | 150.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 173 | N | 26.9 | Very low | 32.8 | Very low | 168 Ų | 168 | 137.8 Ų | 137.8 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | trans | 65.4 | 125.4 | 153 | -71.3 | -5.5 | 0 | 0 | 0 | 123.3 | ||||
| 174 | S | 26.4 | Very low | 31 | Very low | 102 Ų | 102 | 139.4 Ų | 139.4 | 71% | 0.713 | 81% | 0.813 | S | S | * | * | trans | -84.7 | 133.2 | -168.4 | 51.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 175 | Y | 26.1 | Very low | 30.4 | Very low | 243 Ų | 243 | 141.9 Ų | 141.9 | 95% | 0.953 | 81% | 0.813 | S | S | * | * | trans | -120.1 | 111.7 | 140.1 | -80.7 | -83.4 | 0 | 0 | 0 | 107 | ||||
| 176 | S | 28.8 | Very low | 29 | Very low | 99 Ų | 99 | 148.1 Ų | 148.1 | 69% | 0.692 | 82% | 0.822 | S | S | * | * | trans | -99.1 | 113.5 | 176.5 | -166.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 177 | A | 31 | Very low | 28.9 | Very low | 89 Ų | 89 | 146.6 Ų | 146.6 | 74% | 0.736 | 82% | 0.818 | S | S | * | * | trans | -61.5 | 149.1 | 144.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 178 | R | 31.3 | Very low | 28.7 | Very low | 230 Ų | 230 | 144.9 Ų | 144.9 | 87% | 0.868 | 82% | 0.819 | S | S | * | * | trans | -178 | 125.6 | 151.5 | -98.4 | 173.7 | -144.5 | -154.9 | 5.9 | 104.9 | ||||
| 179 | G | 26.3 | Very low | 28 | Very low | 70 Ų | 70 | 144.3 Ų | 144.3 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | cis | 80 | 92.7 | 44.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 180 | H | 28.4 | Very low | 28.1 | Very low | 202 Ų | 202 | 145.3 Ų | 145.3 | 94% | 0.935 | 82% | 0.819 | S | S | * | * | trans | -81 | 127.5 | -177.8 | -76.1 | -77.2 | 0 | 0 | 0 | 111 | ||||
| 181 | E | 23.8 | Very low | 28.3 | Very low | 191 Ų | 191 | 142.8 Ų | 142.8 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | trans | -133 | 138.7 | 162.2 | -163.3 | 175 | -154.3 | 0 | 0 | 107.6 | ||||
| 182 | I | 30 | Very low | 27.7 | Very low | 162 Ų | 162 | 148.5 Ų | 148.5 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | trans | -90.2 | 129.2 | -177.6 | -63.4 | 168.3 | 0 | 0 | 0 | 108.5 | ||||
| 183 | A | 23.2 | Very low | 27.8 | Very low | 102 Ų | 102 | 155 Ų | 155 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | trans | -145.2 | 133.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 184 | L | 25.1 | Very low | 27.8 | Very low | 147 Ų | 147 | 154.7 Ų | 154.7 | 77% | 0.77 | 82% | 0.82 | S | S | * | * | trans | -80.4 | 141.6 | -178.7 | -76.4 | 152.1 | 0 | 0 | 0 | 112.7 | ||||
| 185 | H | 28.8 | Very low | 28.1 | Very low | 173 Ų | 173 | 155.1 Ų | 155.1 | 80% | 0.801 | 82% | 0.823 | S | S | * | * | trans | 69.5 | 133 | 148.7 | -72.1 | -63.4 | 0 | 0 | 0 | 123.4 | ||||
| 186 | R | 25 | Very low | 28.2 | Very low | 246 Ų | 246 | 150.5 Ų | 150.5 | 93% | 0.928 | 82% | 0.819 | S | S | * | * | 129.3 | 131.2 | 120.8 | -133.4 | 174.1 | -168.6 | 173.4 | 2.8 | 114.3 | |||||
| 187 | S | 29.7 | Very low | 28.2 | Very low | 106 Ų | 106 | 150.7 Ų | 150.7 | 74% | 0.741 | 82% | 0.821 | S | S | * | * | trans | -85.5 | 164.8 | -166.6 | 52.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 188 | T | 26.9 | Very low | 28.2 | Very low | 140 Ų | 140 | 152.7 Ų | 152.7 | 86% | 0.859 | 83% | 0.826 | S | S | * | * | trans | -176.4 | 140.4 | 143.7 | 25.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 189 | S | 29.8 | Very low | 28.3 | Very low | 106 Ų | 106 | 152.1 Ų | 152.1 | 74% | 0.741 | 82% | 0.824 | S | S | * | * | cis | -172.1 | 145.9 | 3.3 | 47.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 190 | S | 29.1 | Very low | 28.7 | Very low | 122 Ų | 122 | 156.5 Ų | 156.5 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | trans | 75.4 | 127.9 | 148.9 | -154 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 191 | A | 30.2 | Very low | 28.9 | Very low | 83 Ų | 83 | 155.2 Ų | 155.2 | 69% | 0.686 | 83% | 0.826 | S | S | * | * | cis | -162.1 | 156.1 | 20.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 192 | R | 29.5 | Very low | 29.3 | Very low | 240 Ų | 240 | 149.5 Ų | 149.5 | 91% | 0.906 | 82% | 0.818 | S | S | * | * | trans | 96.6 | 92.3 | 154.1 | -64.6 | -173.2 | 177.7 | -174.3 | 0.1 | 121.4 | ||||
| 193 | R | 28.1 | Very low | 29.3 | Very low | 235 Ų | 235 | 150.8 Ų | 150.8 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | trans | 42.5 | 107.5 | 132 | -75.2 | -175.9 | 179.9 | 175.8 | -0.9 | 120.4 | ||||
| 194 | N | 26.8 | Very low | 29.4 | Very low | 161 Ų | 161 | 153.3 Ų | 153.3 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | -177 | 153.4 | 97.7 | -94.7 | -10.2 | 0 | 0 | 0 | 111.1 | |||||
| 195 | S | 33.1 | Very low | 29.8 | Very low | 110 Ų | 110 | 153.5 Ų | 153.5 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | trans | -84.1 | 124.7 | -160.6 | 49.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 196 | V | 28 | Very low | 29.7 | Very low | 146 Ų | 146 | 152.5 Ų | 152.5 | 89% | 0.885 | 81% | 0.811 | S | S | * | * | trans | -156.1 | 140.5 | 150.6 | -173.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 197 | S | 27.7 | Very low | 29.8 | Very low | 104 Ų | 104 | 147.1 Ų | 147.1 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -70.9 | 148.3 | -178.2 | 46.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 198 | P | 31.8 | Very low | 29.6 | Very low | 130 Ų | 130 | 147.4 Ų | 147.4 | 84% | 0.844 | 80% | 0.801 | S | S | * | * | trans | -99.2 | 117.2 | 179.9 | 34.9 | -26.4 | 0 | 0 | 0 | 113 | ||||
| 199 | R | 33.7 | Very low | 29.7 | Very low | 219 Ų | 219 | 151.7 Ų | 151.7 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | -140.4 | 153 | 160.2 | -93.8 | -171.3 | 169.3 | -178.9 | -2.3 | 107.9 | ||||
| 200 | E | 34.7 | Very low | 29.6 | Very low | 161 Ų | 161 | 157.9 Ų | 157.9 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | trans | 81.9 | 105.4 | 179.9 | -53.8 | -176 | 149.2 | 0 | 0 | 114.9 | ||||
| 201 | N | 31.5 | Very low | 29.7 | Very low | 175 Ų | 175 | 159.6 Ų | 159.6 | 94% | 0.936 | 81% | 0.808 | S | S | * | * | trans | -146.7 | 86.4 | 148.6 | -86.4 | -25.1 | 0 | 0 | 0 | 107.2 | ||||
| 202 | G | 32.1 | Very low | 29.7 | Very low | 71 Ų | 71 | 167.3 Ų | 167.3 | 73% | 0.732 | 82% | 0.819 | S | S | * | * | trans | -78.4 | 155.4 | 157.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | E204 | G202-E204 PolarHBondContact O-N 3.48Š| ||
| 203 | H | 30.2 | Very low | 29.7 | Very low | 189 Ų | 189 | 159.8 Ų | 159.8 | 88% | 0.875 | 82% | 0.816 | S | S | * | * | trans | -59.8 | 126.7 | 179.3 | -77.4 | -76.6 | 0 | 0 | 0 | 111.5 | I205 | H203-I205 PolarHBondContact O-N 2.98Š| ||
| 204 | E | 26.4 | Very low | 29.7 | Very low | 155 Ų | 155 | 152.5 Ų | 152.5 | 72% | 0.724 | 81% | 0.814 | S | S | * | * | trans | -74.9 | 115 | 177 | -174 | -177 | 171.6 | 0 | 0 | 109.7 | G202 Q206 | G202-E204 PolarHBondContact O-N 3.48Å; E204-Q206 HydrophobicContact CG-CG 4.09Å; E204-Q206 WeakPolarHBondContact OE1-CG 3.24Å; E204-Q206 PolarHBondContact OE1-NE2 3.38Å | ||
| 205 | I | 32.9 | Very low | 29.9 | Very low | 151 Ų | 151 | 150.6 Ų | 150.6 | 77% | 0.774 | 81% | 0.814 | S | S | * | * | trans | -101.3 | 106.4 | 168 | -58.5 | 176 | 0 | 0 | 0 | 107.3 | H203 | H203-I205 PolarHBondContact O-N 2.98Š| ||
| 206 | Q | 26.7 | Very low | 29.7 | Very low | 153 Ų | 153 | 157.1 Ų | 157.1 | 72% | 0.715 | 82% | 0.821 | S | S | * | * | trans | -80.6 | 119.7 | 176.5 | -73.7 | -169.4 | -10.6 | 0 | 0 | 111.1 | E204 | E204-Q206 HydrophobicContact CG-CG 4.09Å; E204-Q206 WeakPolarHBondContact OE1-CG 3.24Å; E204-Q206 PolarHBondContact OE1-NE2 3.38Å | ||
| 207 | I | 27.4 | Very low | 29.8 | Very low | 133 Ų | 133 | 154.4 Ų | 154.4 | 68% | 0.682 | 81% | 0.814 | S | S | * | * | trans | -83.5 | 113.8 | 167.6 | -59.3 | 174.2 | 0 | 0 | 0 | 108.2 | R209 | I207-R209 PolarHBondContact O-N 2.9Å; I207-R209 VanDerWaalsContact O-N 3.08Å | ||
| 208 | S | 24.5 | Very low | 29.9 | Very low | 111 Ų | 111 | 154.7 Ų | 154.7 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | trans | -66.3 | 102.8 | 171.4 | -176.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 209 | R | 28.7 | Very low | 29.7 | Very low | 230 Ų | 230 | 157.6 Ų | 157.6 | 87% | 0.868 | 82% | 0.819 | S | S | * | * | trans | -88.1 | 103.5 | 166.7 | -77.2 | -175.2 | 176 | -178.9 | -0.3 | 109.5 | I207 N211 | I207-R209 PolarHBondContact O-N 2.9Å; I207-R209 VanDerWaalsContact O-N 3.08Å; R209-N211 PolarHBondContact O-N 3.18Å; R209-N211 VanDerWaalsContact O-N 3.12Å | ||
| 210 | R | 29.4 | Very low | 29.9 | Very low | 236 Ų | 236 | 156.7 Ų | 156.7 | 89% | 0.891 | 82% | 0.824 | S | S | * | * | trans | -74.4 | 95.8 | 164.5 | -97 | -178.4 | 172.9 | 171.5 | 0.5 | 110.1 | ||||
| 211 | N | 30.2 | Very low | 29.7 | Very low | 159 Ų | 159 | 155.3 Ų | 155.3 | 85% | 0.85 | 83% | 0.826 | S | S | * | * | trans | -69.6 | 121.4 | 158.2 | -93.4 | -13.6 | 0 | 0 | 0 | 109.3 | R209 | R209-N211 PolarHBondContact O-N 3.18Å; R209-N211 VanDerWaalsContact O-N 3.12Å | ||
| 212 | R | 31.3 | Very low | 29.6 | Very low | 244 Ų | 244 | 152.4 Ų | 152.4 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | trans | -115.6 | 105 | 159.9 | -96.8 | -174.4 | 175.3 | 178.2 | -0.8 | 108.7 | ||||
| 213 | G | 28.8 | Very low | 29.7 | Very low | 82 Ų | 82 | 154.6 Ų | 154.6 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | trans | -97.3 | 140.8 | 156.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 214 | G | 28.2 | Very low | 29.7 | Very low | 82 Ų | 82 | 151.6 Ų | 151.6 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | trans | 155.3 | 94.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 215 | S | 31.2 | Very low | 30.1 | Very low | 121 Ų | 121 | 152 Ų | 152 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | trans | -66 | 143.7 | 178.5 | -46.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 216 | R | 29 | Very low | 29.9 | Very low | 247 Ų | 247 | 150.8 Ų | 150.8 | 93% | 0.932 | 83% | 0.826 | S | S | * | * | trans | -173.3 | 122.9 | 133.7 | -108.5 | 174.6 | 177.2 | -175.3 | -0.8 | 113.9 | ||||
| 217 | A | 29.6 | Very low | 30.2 | Very low | 89 Ų | 89 | 155.2 Ų | 155.2 | 74% | 0.736 | 84% | 0.837 | S | S | * | * | trans | 39.9 | 111.5 | 143.8 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 218 | S | 29.9 | Very low | 30.2 | Very low | 111 Ų | 111 | 152.4 Ų | 152.4 | 78% | 0.776 | 84% | 0.84 | S | S | * | * | trans | 33.9 | 116.9 | 132.8 | 62 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 219 | Q | 28.1 | Very low | 30.5 | Very low | 191 Ų | 191 | 156.6 Ų | 156.6 | 89% | 0.893 | 85% | 0.847 | S | S | * | * | -159 | 128.3 | 127.1 | -107.6 | 169.9 | 9.8 | 0 | 0 | 110.1 | V221 | Q219-V221 PolarHBondContact O-N 3.4Š| |||
| 220 | Q | 37.7 | Very low | 30.6 | Very low | 200 Ų | 200 | 154.8 Ų | 154.8 | 94% | 0.935 | 85% | 0.849 | S | S | * | * | trans | -67.7 | 121.3 | 176.7 | -74.5 | 172.2 | -46.5 | 0 | 0 | 110.5 | ||||
| 221 | V | 28.9 | Very low | 30.7 | Very low | 132 Ų | 132 | 150.5 Ų | 150.5 | 80% | 0.8 | 84% | 0.842 | S | S | * | * | trans | -142.5 | 115 | 157.2 | -177.5 | 0 | 0 | 0 | 0 | 107.8 | Q219 | Q219-V221 PolarHBondContact O-N 3.4Š| ||
| 222 | S | 31.1 | Very low | 30.9 | Very low | 114 Ų | 114 | 147.5 Ų | 147.5 | 80% | 0.797 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 129.1 | 174.6 | -48.8 | 0 | 0 | 0 | 0 | 110.5 | ||
| 223 | P | 33.2 | Very low | 31 | Very low | 117 Ų | 117 | 141.6 Ų | 141.6 | 76% | 0.76 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 150 | 168 | 32 | -26.6 | 0 | 0 | 0 | 111.6 | ||
| 224 | P | 31.5 | Very low | 31.7 | Very low | 125 Ų | 125 | 149.3 Ų | 149.3 | 81% | 0.812 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 142.1 | -173.6 | 30.8 | -33.7 | 0 | 0 | 0 | 112.3 | ||
| 225 | L | 33.4 | Very low | 32.3 | Very low | 163 Ų | 163 | 152.5 Ų | 152.5 | 85% | 0.853 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 128.4 | 168.2 | -78.2 | 135.6 | 0 | 0 | 0 | 111 | R227 | L225-R227 PolarHBondContact O-N 3.43Š|
| 226 | P | 29.8 | Very low | 32.5 | Very low | 126 Ų | 126 | 150.8 Ų | 150.8 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 116.6 | 165.2 | 27.1 | -28.8 | 0 | 0 | 0 | 109.6 | G228 | P226-G228 PolarHBondContact O-N 3.35Š|
| 227 | R | 31.4 | Very low | 33 | Very low | 247 Ų | 247 | 146.5 Ų | 146.5 | 93% | 0.932 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 123.1 | 169.1 | -77.4 | -179.6 | 169.6 | -179.2 | -3.3 | 109 | L225 | L225-R227 PolarHBondContact O-N 3.43Š|
| 228 | G | 28.5 | Very low | 33.4 | Very low | 74 Ų | 74 | 147.1 Ų | 147.1 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 142.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | P226 | P226-G228 PolarHBondContact O-N 3.35Š|
| 229 | H | 30.1 | Very low | 33.7 | Very low | 198 Ų | 198 | 148.9 Ų | 148.9 | 92% | 0.917 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -67 | 127.5 | 166.4 | -85.9 | -82.4 | 0 | 0 | 0 | 109.7 | ||
| 230 | Q | 31.1 | Very low | 34 | Very low | 193 Ų | 193 | 143.5 Ų | 143.5 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | trans | -82.9 | 113.8 | 175.9 | -156.1 | 170.8 | 10.4 | 0 | 0 | 108.8 | ||||
| 231 | L | 32.8 | Very low | 33.8 | Very low | 145 Ų | 145 | 143.4 Ų | 143.4 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | trans | -70 | 140.5 | 173.3 | -75.8 | 166.5 | 0 | 0 | 0 | 110.3 | ||||
| 232 | P | 33 | Very low | 34.1 | Very low | 97 Ų | 97 | 147.7 Ų | 147.7 | 63% | 0.63 | 80% | 0.799 | S | S | * | * | trans | -63.2 | 139.7 | 178.1 | -19.8 | 31.1 | 0 | 0 | 0 | 112.7 | R234 | P232-R234 PolarHBondContact O-N 2.97Š| ||
| 233 | S | 34.3 | Very low | 34.4 | Very low | 120 Ų | 120 | 150.1 Ų | 150.1 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 20.3 | -175.6 | -23.5 | 0 | 0 | 0 | 0 | 116.3 | ||
| 234 | R | 42.8 | Very low | 34.5 | Very low | 244 Ų | 244 | 154.9 Ų | 154.9 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | 2.9 | 177.2 | -75.2 | -169.7 | 177.6 | 169.3 | 0.3 | 114.5 | P232 | P232-R234 PolarHBondContact O-N 2.97Š|
| 235 | L | 40.3 | Very low | 34.9 | Very low | 149 Ų | 149 | 156.5 Ų | 156.5 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -108.5 | 14.2 | 176 | -76.9 | 163.9 | 0 | 0 | 0 | 113.9 | ||
| 236 | A | 36.2 | Very low | 34.9 | Very low | 85 Ų | 85 | 156.9 Ų | 156.9 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | trans | -96.2 | 22.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 237 | N | 39.9 | Very low | 35.1 | Very low | 156 Ų | 156 | 155 Ų | 155 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | -136.7 | 80.2 | 178.4 | -85.5 | -15.3 | 0 | 0 | 0 | 111.3 | ||||
| 238 | S | 38 | Very low | 35.3 | Very low | 102 Ų | 102 | 147.4 Ų | 147.4 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | -112.7 | 8.4 | 168.6 | 58.7 | 0 | 0 | 0 | 0 | 113.9 | A240 | S238-A240 VanDerWaalsContact C-N 3.34Š| ||
| 239 | D | 34.9 | Very low | 35.6 | Very low | 148 Ų | 148 | 155.5 Ų | 155.5 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -1.8 | 175 | -72.8 | -34.8 | 0 | 0 | 0 | 113.8 | ||
| 240 | A | 35.1 | Very low | 35.8 | Very low | 78 Ų | 78 | 149.8 Ų | 149.8 | 65% | 0.645 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -3.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | S238 | S238-A240 VanDerWaalsContact C-N 3.34Š|
| 241 | Y | 33.8 | Very low | 35.7 | Very low | 198 Ų | 198 | 148.3 Ų | 148.3 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -97.5 | -19.5 | -179.4 | -150.1 | -100.3 | 0 | 0 | 0 | 113.7 | ||
| 242 | R | 35.9 | Very low | 35.5 | Very low | 222 Ų | 222 | 147.3 Ų | 147.3 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -80.8 | -24.2 | -179.5 | -111.2 | -179.7 | -177 | 159.2 | 1.4 | 114.8 | R244 | R242-R244 PolarHBondContact O-N 2.85Š|
| 243 | Q | 35.8 | Very low | 35.3 | Very low | 165 Ų | 165 | 152.1 Ų | 152.1 | 77% | 0.771 | 79% | 0.793 | S | S | * | * | G | 310 helix | trans | -82.8 | -4.7 | -178.7 | -82.1 | -175.7 | -15.8 | 0 | 0 | 115.1 | ||
| 244 | R | 35.8 | Very low | 35 | Very low | 218 Ų | 218 | 150.8 Ų | 150.8 | 82% | 0.823 | 79% | 0.789 | S | S | * | * | G | 310 helix | trans | -97.6 | -7.7 | -176.1 | -142.1 | -179.4 | -84.1 | -162.8 | -3.3 | 114.6 | R242 | R242-R244 PolarHBondContact O-N 2.85Š|
| 245 | Q | 39.7 | Very low | 34.4 | Very low | 159 Ų | 159 | 145.7 Ų | 145.7 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -98.8 | -17.8 | 175.4 | -86.1 | -177.8 | -18.4 | 0 | 0 | 114.4 | ||
| 246 | E | 34.3 | Very low | 33.6 | Very low | 171 Ų | 171 | 150 Ų | 150 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -90.4 | -14.5 | 179.2 | -71.7 | -179.1 | 157.6 | 0 | 0 | 114 | ||
| 247 | A | 32.8 | Very low | 33.1 | Very low | 86 Ų | 86 | 156.8 Ų | 156.8 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -2.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 248 | A | 35.9 | Very low | 32.5 | Very low | 88 Ų | 88 | 158.1 Ų | 158.1 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | 4.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 249 | R | 34.4 | Very low | 32.5 | Very low | 243 Ų | 243 | 159.1 Ų | 159.1 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -116.4 | 7.2 | -178.7 | -88.4 | -176 | 174.3 | 173.8 | -0.6 | 115.8 | ||
| 250 | A | 36.1 | Very low | 32 | Very low | 79 Ų | 79 | 155.1 Ų | 155.1 | 65% | 0.653 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -138.4 | 72.7 | 180 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 251 | N | 27.7 | Very low | 31.6 | Very low | 162 Ų | 162 | 158 Ų | 158 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | trans | 173.2 | 110 | 142.4 | -99 | -19.1 | 0 | 0 | 0 | 111.9 | ||||
| 252 | S | 29.7 | Very low | 31.2 | Very low | 124 Ų | 124 | 157.3 Ų | 157.3 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | 172.9 | 79.9 | 129.1 | 41.1 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 253 | Q | 28.6 | Very low | 30.9 | Very low | 198 Ų | 198 | 151.7 Ų | 151.7 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | trans | -97 | 149.7 | 148.8 | -84.9 | -173.8 | -27.4 | 0 | 0 | 108.9 | ||||
| 254 | A | 28.1 | Very low | 30.5 | Very low | 92 Ų | 92 | 151.3 Ų | 151.3 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | trans | 93.5 | 86.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 255 | V | 28.9 | Very low | 30.1 | Very low | 137 Ų | 137 | 152.6 Ų | 152.6 | 83% | 0.83 | 82% | 0.819 | S | S | * | * | 44.9 | 119.4 | 110 | -177.6 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 256 | R | 25.1 | Very low | 29.5 | Very low | 239 Ų | 239 | 153.7 Ų | 153.7 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | -165.3 | 114 | 126 | -117.7 | 178.8 | -173.1 | -172.4 | 2.5 | 115.1 | |||||
| 257 | R | 25.7 | Very low | 30 | Very low | 227 Ų | 227 | 150.6 Ų | 150.6 | 86% | 0.857 | 82% | 0.819 | S | S | * | * | trans | 35.7 | 115.1 | 136.5 | -68.7 | -175.9 | 173.5 | 178.8 | -3.1 | 121.8 | ||||
| 258 | E | 27.1 | Very low | 30 | Very low | 184 Ų | 184 | 154.7 Ų | 154.7 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | 33.8 | 152 | 119.1 | -86.5 | -165 | -171.8 | 0 | 0 | 122.2 | |||||
| 259 | P | 36.7 | Very low | 29.9 | Very low | 123 Ų | 123 | 156.4 Ų | 156.4 | 80% | 0.799 | 83% | 0.827 | S | S | * | * | cis | -148.5 | 161.3 | 44.6 | 38.5 | -17 | 0 | 0 | 0 | 119.8 | ||||
| 260 | G | 25.3 | Very low | 29.7 | Very low | 65 Ų | 65 | 152.9 Ų | 152.9 | 67% | 0.67 | 82% | 0.821 | S | S | * | * | 95.7 | 121.6 | 123.4 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 261 | V | 25.8 | Very low | 30.2 | Very low | 137 Ų | 137 | 154.3 Ų | 154.3 | 83% | 0.83 | 82% | 0.824 | S | S | * | * | trans | 105.7 | 101.6 | 140.1 | -166.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 262 | Q | 26.6 | Very low | 31.2 | Very low | 185 Ų | 185 | 152.7 Ų | 152.7 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | trans | 19.7 | 133.5 | 135.1 | -65.8 | 174 | -26 | 0 | 0 | 121.9 | ||||
| 263 | A | 28.2 | Very low | 31.3 | Very low | 104 Ų | 104 | 151.3 Ų | 151.3 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | 176.3 | 146.1 | 108 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 264 | N | 29.3 | Very low | 31.2 | Very low | 156 Ų | 156 | 150.4 Ų | 150.4 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | trans | -58.2 | 152.4 | 174.6 | -84.6 | -31.9 | 0 | 0 | 0 | 116.3 | ||||
| 265 | R | 26.2 | Very low | 31.2 | Very low | 246 Ų | 246 | 153 Ų | 153 | 93% | 0.928 | 81% | 0.813 | S | S | * | * | 168.2 | 137.9 | 109.9 | -94 | 179.5 | 176.6 | 177.8 | -0.7 | 114.3 | |||||
| 266 | Q | 26.6 | Very low | 31.2 | Very low | 182 Ų | 182 | 155.2 Ų | 155.2 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | trans | -70.9 | -174.8 | 159.6 | -100.6 | 178.3 | -8.9 | 0 | 0 | 112.3 | ||||
| 267 | P | 44.9 | Very low | 31.2 | Very low | 106 Ų | 106 | 147.6 Ų | 147.6 | 69% | 0.688 | 80% | 0.798 | S | S | * | * | cis | -139.9 | 169.6 | -17.7 | 30.9 | -9.1 | 0 | 0 | 0 | 116.7 | ||||
| 268 | Q | 32.6 | Very low | 31.2 | Very low | 172 Ų | 172 | 144.6 Ų | 144.6 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | 45.5 | 155.7 | 148.2 | -92.7 | -171.1 | 3.8 | 0 | 0 | 123.2 | ||||
| 269 | P | 35.6 | Very low | 31.2 | Very low | 123 Ų | 123 | 147.1 Ų | 147.1 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | -150.3 | 177.2 | 54.6 | 37.4 | -13 | 0 | 0 | 0 | 119.5 | |||||
| 270 | Q | 28.8 | Very low | 30.7 | Very low | 169 Ų | 169 | 152.2 Ų | 152.2 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | -80 | -166.8 | 165.9 | -63.2 | -177.5 | -25.4 | 0 | 0 | 111.8 | ||||
| 271 | P | 47.4 | Very low | 30.7 | Very low | 110 Ų | 110 | 154.7 Ų | 154.7 | 71% | 0.714 | 81% | 0.806 | S | S | * | * | cis | -142.6 | -149 | 4.4 | 44.1 | -20.3 | 0 | 0 | 0 | 113 | ||||
| 272 | P | 48.3 | Very low | 30.9 | Very low | 128 Ų | 128 | 155.2 Ų | 155.2 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | cis | -139.2 | -172.9 | -5 | 36.5 | -12.5 | 0 | 0 | 0 | 118.3 | ||||
| 273 | A | 30.8 | Very low | 30.9 | Very low | 94 Ų | 94 | 156.4 Ų | 156.4 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | trans | -114.2 | 175.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 274 | Q | 28.3 | Very low | 31 | Very low | 179 Ų | 179 | 157.6 Ų | 157.6 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | trans | -174.5 | 123.3 | 147.5 | -100.9 | 176.4 | 11.6 | 0 | 0 | 110.5 | ||||
| 275 | I | 27.6 | Very low | 30.8 | Very low | 147 Ų | 147 | 158.8 Ų | 158.8 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | 72.6 | 111.2 | 76.2 | -57.2 | 171.4 | 0 | 0 | 0 | 116.3 | |||||
| 276 | H | 27.8 | Very low | 30.9 | Very low | 184 Ų | 184 | 155.2 Ų | 155.2 | 85% | 0.852 | 79% | 0.787 | S | S | * | * | -170.4 | 157.3 | 123 | -111.9 | -55.7 | 0 | 0 | 0 | 114.1 | |||||
| 277 | S | 26.8 | Very low | 31 | Very low | 79 Ų | 79 | 154.1 Ų | 154.1 | 55% | 0.552 | 79% | 0.786 | S | S | * | * | trans | -92.2 | 157.1 | -168.9 | 48.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 278 | D | 25.7 | Very low | 30.2 | Very low | 164 Ų | 164 | 154.6 Ų | 154.6 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | 178.3 | 157.7 | 116.5 | -90.5 | -12.2 | 0 | 0 | 0 | 116 | |||||
| 279 | R | 26.4 | Very low | 29.9 | Very low | 237 Ų | 237 | 149.5 Ų | 149.5 | 89% | 0.894 | 79% | 0.786 | S | S | * | * | trans | -105.5 | 167 | -169.9 | -102 | 175 | 159.6 | -179.8 | -4.9 | 112.1 | ||||
| 280 | R | 25.1 | Very low | 29.5 | Very low | 229 Ų | 229 | 151.1 Ų | 151.1 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | 104 | 113.1 | 157 | -70.9 | -175.3 | 174.3 | 176.8 | -1.5 | 115.9 | ||||
| 281 | T | 26.8 | Very low | 29.4 | Very low | 118 Ų | 118 | 152.3 Ų | 152.3 | 72% | 0.724 | 79% | 0.793 | S | S | * | * | 81.3 | 119.4 | 68.8 | 56.7 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 282 | D | 28.4 | Very low | 28.6 | Very low | 147 Ų | 147 | 153.9 Ų | 153.9 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | trans | 76.6 | 123.1 | 144.7 | -71.8 | -26.9 | 0 | 0 | 0 | 124.9 | ||||
| 283 | R | 28.3 | Very low | 27.6 | Very low | 211 Ų | 211 | 156.4 Ų | 156.4 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | 91.6 | 124.8 | 127.8 | -89.8 | -175.1 | 162.2 | 179 | -4.1 | 124.1 | |||||
| 284 | D | 28.9 | Very low | 27.9 | Very low | 128 Ų | 128 | 157.1 Ų | 157.1 | 68% | 0.684 | 80% | 0.797 | S | S | * | * | trans | 81.7 | 133.5 | 132.5 | -66.4 | -24.8 | 0 | 0 | 0 | 124.6 | ||||
| 285 | Q | 26.7 | Very low | 27.8 | Very low | 182 Ų | 182 | 156.1 Ų | 156.1 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | trans | 113.3 | 102.3 | 155 | -70.6 | -178 | -17.6 | 0 | 0 | 114.8 | ||||
| 286 | Q | 27.6 | Very low | 28.2 | Very low | 171 Ų | 171 | 154.9 Ų | 154.9 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | 85.8 | 132.3 | 50 | -149 | -173.6 | 1.5 | 0 | 0 | 114.4 | |||||
| 287 | L | 27.9 | Very low | 28.3 | Very low | 159 Ų | 159 | 152.7 Ų | 152.7 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | 87.8 | 139.3 | 170.1 | -61 | 154 | 0 | 0 | 0 | 115.9 | ||||
| 288 | S | 27.6 | Very low | 28.5 | Very low | 115 Ų | 115 | 159.4 Ų | 159.4 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | cis | -179.5 | 152.5 | -6 | -177.1 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 289 | G | 26.3 | Very low | 28.8 | Very low | 66 Ų | 66 | 156.7 Ų | 156.7 | 68% | 0.68 | 80% | 0.804 | S | S | * | * | cis | -178.4 | -160.1 | 15.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 290 | N | 28.5 | Very low | 28.8 | Very low | 156 Ų | 156 | 152.8 Ų | 152.8 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | -75.1 | 153.1 | -151.4 | -55.6 | -34.3 | 0 | 0 | 0 | 118.7 | ||||
| 291 | H | 26.6 | Very low | 29.1 | Very low | 195 Ų | 195 | 148 Ų | 148 | 90% | 0.903 | 80% | 0.797 | S | S | * | * | trans | -159 | 115.4 | 132.5 | -125.6 | 48.1 | 0 | 0 | 0 | 112.1 | ||||
| 292 | V | 29.8 | Very low | 29.2 | Very low | 143 Ų | 143 | 149.2 Ų | 149.2 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | trans | -142.3 | 129.1 | 170.2 | 171.6 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 293 | E | 28.1 | Very low | 29.3 | Very low | 181 Ų | 181 | 149.6 Ų | 149.6 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | -171.1 | 162.5 | 161.1 | -101.6 | -164.8 | -179.2 | 0 | 0 | 108.8 | ||||
| 294 | P | 37.6 | Very low | 29.6 | Very low | 109 Ų | 109 | 148.2 Ų | 148.2 | 71% | 0.708 | 80% | 0.803 | S | S | * | * | cis | -136.4 | 162.2 | -41.5 | 33.4 | -15 | 0 | 0 | 0 | 113.6 | ||||
| 295 | D | 26.2 | Very low | 29.6 | Very low | 157 Ų | 157 | 148.1 Ų | 148.1 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 149.8 | 165.4 | -82.6 | -42.1 | 0 | 0 | 0 | 111.4 | ||
| 296 | P | 35.8 | Very low | 29.7 | Very low | 122 Ų | 122 | 146.6 Ų | 146.6 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 143 | -171.5 | 32.2 | -32.9 | 0 | 0 | 0 | 114.8 | ||
| 297 | V | 28.8 | Very low | 30 | Very low | 137 Ų | 137 | 145 Ų | 145 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 136.3 | 178.5 | 175 | 0 | 0 | 0 | 0 | 111.3 | ||
| 298 | Y | 30.7 | Very low | 30.1 | Very low | 220 Ų | 220 | 145.6 Ų | 145.6 | 86% | 0.863 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -103 | 148.2 | 156.9 | -93.5 | -90.7 | 0 | 0 | 0 | 109.2 | ||
| 299 | P | 32.6 | Very low | 30.4 | Very low | 107 Ų | 107 | 151.2 Ų | 151.2 | 70% | 0.695 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 131 | -167.4 | 31.4 | -31.7 | 0 | 0 | 0 | 112.8 | ||
| 300 | D | 27.4 | Very low | 30.6 | Very low | 156 Ų | 156 | 154.4 Ų | 154.4 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 137.4 | 163.3 | -104 | -35.5 | 0 | 0 | 0 | 110.2 | ||
| 301 | V | 31.3 | Very low | 30.7 | Very low | 127 Ų | 127 | 156.3 Ų | 156.3 | 77% | 0.77 | 82% | 0.821 | S | S | * | * | trans | -106.4 | 105.6 | 166.7 | -178.5 | 0 | 0 | 0 | 0 | 106.6 | L303 | V301-L303 PolarHBondContact O-N 2.74Š| ||
| 302 | D | 27.5 | Very low | 31 | Very low | 144 Ų | 144 | 150.8 Ų | 150.8 | 77% | 0.77 | 82% | 0.817 | S | S | * | * | trans | -62.1 | 127.9 | 172.2 | -77 | -45.4 | 0 | 0 | 0 | 111.2 | ||||
| 303 | L | 31.3 | Very low | 31.5 | Very low | 155 Ų | 155 | 149.3 Ų | 149.3 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | trans | -138.2 | 84.9 | 159.1 | -117.6 | 138.2 | 0 | 0 | 0 | 107.7 | V301 T305 | V301-L303 PolarHBondContact O-N 2.74Å; L303-T305 PolarHBondContact O-N 2.89Å | ||
| 304 | E | 33.5 | Very low | 32.9 | Very low | 183 Ų | 183 | 149.4 Ų | 149.4 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | trans | -60.3 | 124.1 | 164.3 | -76.6 | -176.7 | 137.3 | 0 | 0 | 109.5 | ||||
| 305 | T | 30.7 | Very low | 34.2 | Very low | 125 Ų | 125 | 151.7 Ų | 151.7 | 77% | 0.767 | 81% | 0.808 | S | S | * | * | trans | -152.1 | 119.9 | 146.3 | 24.8 | 0 | 0 | 0 | 0 | 111.2 | L303 | L303-T305 PolarHBondContact O-N 2.89Š| ||
| 306 | D | 27.5 | Very low | 36.6 | Very low | 151 Ų | 151 | 145.8 Ų | 145.8 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | trans | 52.7 | 108.1 | 154.7 | -84.7 | -26.9 | 0 | 0 | 0 | 122.2 | Q308 | D306-Q308 PolarHBondContact O-N 3.47Š| ||
| 307 | V | 33.6 | Very low | 38.6 | Very low | 137 Ų | 137 | 146.3 Ų | 146.3 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | trans | -69.3 | 102.4 | 158.3 | -179.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 308 | Q | 30.3 | Very low | 41.2 | Very low | 171 Ų | 171 | 139.8 Ų | 139.8 | 80% | 0.799 | 72% | 0.723 | S | S | * | * | trans | -124.2 | 122.8 | 154.7 | -85 | 177 | -13.3 | 0 | 0 | 110 | D306 T310 | D306-Q308 PolarHBondContact O-N 3.47Å; Q308-T310 PolarHBondContact O-N 3.09Å; Q308-T310 VanDerWaalsContact O-N 3.16Å | ||
| 309 | Y | 34.8 | Very low | 43.7 | Very low | 233 Ų | 233 | 136 Ų | 136 | 91% | 0.914 | 71% | 0.714 | S | S | * | * | trans | -41.5 | 110.7 | 178 | -97.7 | -103.8 | 0 | 0 | 0 | 113.5 | ||||
| 310 | T | 29.1 | Very low | 46.4 | Very low | 133 Ų | 133 | 135 Ų | 135 | 82% | 0.816 | 70% | 0.7 | S | S | * | * | trans | -129.1 | 122 | 153.8 | 50.9 | 0 | 0 | 0 | 0 | 109.8 | Q308 | Q308-T310 PolarHBondContact O-N 3.09Å; Q308-T310 VanDerWaalsContact O-N 3.16Å | ||
| 311 | Q | 31.2 | Very low | 49.5 | Very low | 196 Ų | 196 | 128.4 Ų | 128.4 | 92% | 0.916 | 67% | 0.667 | S | S | * | * | trans | -48 | 137.7 | 175.3 | -84.4 | 168.6 | -41.9 | 0 | 0 | 112.4 | ||||
| 312 | G | 33.7 | Very low | 52.4 | Low | 80 Ų | 80 | 127.4 Ų | 127.4 | 83% | 0.825 | 65% | 0.649 | S | S | * | * | trans | -55.8 | 130.8 | -174 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 313 | S | 40.8 | Very low | 55.4 | Low | 112 Ų | 112 | 121.5 Ų | 121.5 | 78% | 0.783 | 62% | 0.618 | S | S | * | * | trans | -95.8 | 87.5 | 154.3 | 162 | 0 | 0 | 0 | 0 | 107.1 | R315 | S313-R315 PolarHBondContact O-N 3.18Š| ||
| 314 | E | 56.1 | Low | 58.1 | Low | 183 Ų | 183 | 119 Ų | 119 | 86% | 0.855 | 60% | 0.598 | S | S | * | * | trans | -57.6 | 110.1 | 160 | -82.4 | -176.1 | 156.1 | 0 | 0 | 107.5 | I316 | E314-I316 PolarHBondContact O-N 3.3Š| ||
| 315 | R | 66.1 | Low | 60.6 | Low | 156 Ų | 156 | 112 Ų | 112 | 59% | 0.589 | 57% | 0.568 | S | S | * | * | trans | -62.1 | 124 | 177.7 | -164.2 | 173.3 | -177.9 | 167.7 | 0.7 | 108.2 | S313 Y317 | S313-R315 PolarHBondContact O-N 3.18Å; R315-Y317 HydrophobicContact CB-CE2 4.29Å; R315-Y317 WeakPolarHBondContact O-CD2 3.48Å; R315-Y317 WeakPolarHBondContact O-CE2 3.42Å; R315-Y317 PolarHBondContact O-N 2.95Å | ||
| 316 | I | 75.7 | Confident | 63 | Low | 34 Ų | 34 | 108.3 Ų | 108.3 | 17% | 0.174 | 55% | 0.545 | C | S | . | . | trans | -79.6 | 114.9 | -177.5 | -65.2 | 151.2 | 0 | 0 | 0 | 108.9 | E314 L318 A424 L426 | E314-I316 PolarHBondContact O-N 3.3Å; I316-L318 HydrophobicContact CG2-CD2 4.02Å; I316-L318 HydrophobicContact CG2-CG 4.18Å; I316-A424 HydrophobicContact CB-CB 4.42Å; I316-A424 VanDerWaalsContact CD1-O 3.26Å; I316-A424 WeakPolarHBondContact CD1-O 3.06Å; I316-A424 HydrophobicContact CG2-CB 4.39Å; I316-L426 HydrophobicContact CD1-CB 4.14Å; I316-L426 HydrophobicContact CD1-CD1 3.94Å; I316-L426 HydrophobicContact CD1-CG 3.59Å; I316-L426 HydrophobicContact CG1-CD1 3.84Å; I316-L426 HydrophobicContact CG1-CG 3.98Å; I316-L426 HydrophobicContact CG2-CD1 4.18Å; I316-L426 HydrophobicContact CG2-CD2 4.31Å; I316-L426 HydrophobicContact CG2-CG 4.08Å | ||
| 317 | Y | 77.9 | Confident | 65.4 | Low | 132 Ų | 132 | 105 Ų | 105 | 52% | 0.518 | 53% | 0.527 | S | S | . | . | trans | -90.6 | 122.1 | 175.9 | -59 | -82.2 | 0 | 0 | 0 | 110.6 | R315 H344 | R315-Y317 HydrophobicContact CB-CE2 4.29Å; R315-Y317 WeakPolarHBondContact O-CD2 3.48Å; R315-Y317 WeakPolarHBondContact O-CE2 3.42Å; R315-Y317 PolarHBondContact O-N 2.95Å; Y317-H344 PolarHBondContact O-ND1 2.94Å | ||
| 318 | L | 84.1 | Confident | 66.9 | Low | 0 Ų | 0 | 101.8 Ų | 101.8 | 0% | 0 | 51% | 0.51 | C | S | . | . | trans | -116.5 | 83.3 | 176.9 | -62 | -179.5 | 0 | 0 | 0 | 109.1 | I316 V342 H344 V407 V410 L419 A420 A424 | I316-L318 HydrophobicContact CG2-CD2 4.02Å; I316-L318 HydrophobicContact CG2-CG 4.18Å; L318-V342 HydrophobicContact CD1-CG2 4.41Å; L318-V342 HydrophobicContact CD2-CB 4.4Å; L318-V342 HydrophobicContact CD2-CG2 3.97Å; L318-H344 HydrophobicContact CD2-CB 4.04Å; L318-V407 HydrophobicContact CD1-CG1 4.27Å; L318-V407 HydrophobicContact CD2-CG2 4.36Å; L318-V410 HydrophobicContact CD1-CG2 4.05Å; L318-L419 HydrophobicContact CB-CB 4.01Å; L318-L419 WeakPolarHBondContact O-CB 3.49Å; L318-A420 PolarHBondContact O-N 3.13Å; L318-A424 HydrophobicContact CD1-CB 3.88Å | ||
| 319 | E | 83.4 | Confident | 68.2 | Low | 141 Ų | 141 | 96.1 Ų | 96.1 | 66% | 0.659 | 50% | 0.498 | S | S | * | . | trans | -90 | -29.4 | -171.4 | -64.4 | -176.7 | 164.9 | 0 | 0 | 114 | M367 A420 | E319-M367 WeakPolarHBondContact O-CE 3.46Å; E319-A420 HydrophobicContact CG-CB 4.41Å | ||
| 320 | E | 88.9 | Confident | 69 | Low | 86 Ų | 86 | 91.7 Ų | 91.7 | 40% | 0.402 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 134.6 | 179.8 | -63.5 | 175.8 | -132.4 | 0 | 0 | 110.8 | V342 K343 W348 | E320-V342 CarbonylContact O-C 3.53Å; E320-V342 VanDerWaalsContact O-CA 3.32Å; E320-V342 WeakPolarHBondContact O-CA 3.39Å; E320-K343 HydrophobicContact CB-CB 3.79Å; E320-K343 HydrophobicContact CB-CD 4.21Å; E320-K343 HydrophobicContact CG-CD 4.3Å; E320-K343 PolarHBondContact O-N 3.13Å; E320-K343 WeakPolarHBondContact OE1-CD 3.47Å; E320-K343 IonicContact OE1-NZ 3.42Å; E320-K343 PolarHBondContact OE1-NZ 3.05Å; E320-K343 WeakPolarHBondContact OE2-CD 3.44Å; E320-K343 IonicContact OE2-NZ 2.74Å; E320-K343 PolarHBondContact OE2-NZ 3.34Å; E320-W348 HydrophobicContact CB-CH2 4.05Å |
| 321 | A | 92.4 | Very high | 70.1 | Confident | 18 Ų | 18 | 93.9 Ų | 93.9 | 15% | 0.149 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 152.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | L340 E341 V342 L368 | A321-L340 HydrophobicContact CB-CD1 4.14Å; A321-E341 CarbonylContact C-O 3.52Å; A321-E341 WeakPolarHBondContact CA-O 3.46Å; A321-V342 HydrophobicContact CB-CG1 4.26Å; A321-L368 HydrophobicContact CB-CD2 4.49Å; A321-L368 WeakPolarHBondContact O-CD2 2.92Å |
| 322 | R | 91.5 | Very high | 71.2 | Confident | 106 Ų | 106 | 87.4 Ų | 87.4 | 40% | 0.4 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 153.8 | 170 | 71.8 | -176.5 | -175.7 | -177.8 | -1.1 | 111.5 | E341 W348 | R322-E341 HydrophobicContact CG-CB 4.01Å; R322-E341 IonicContact CZ-OE2 2.96Å; R322-E341 PolarHBondContact N-O 2.96Å; R322-E341 IonicContact NE-OE2 2.89Å; R322-E341 PolarHBondContact NE-OE2 3.45Å; R322-E341 IonicContact NH2-OE2 3.29Å; R322-E341 PolarHBondContact NH2-OE2 3.48Å; R322-E341 PolarHBondContact O-N 3.04Å; R322-W348 HydrophobicContact CB-CH2 4.13Å; R322-W348 HydrophobicContact CB-CZ3 4.07Å; R322-W348 HydrophobicContact CG-CE3 3.94Å; R322-W348 HydrophobicContact CG-CH2 3.94Å; R322-W348 HydrophobicContact CG-CZ3 3.58Å |
| 323 | L | 90.8 | Very high | 72.7 | Confident | 20 Ų | 20 | 85.4 Ų | 85.4 | 11% | 0.105 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 133.9 | 169.6 | -58.5 | 179.2 | 0 | 0 | 0 | 110.1 | V335 L340 L368 V443 | L323-V335 HydrophobicContact CB-CG1 3.86Å; L323-L340 HydrophobicContact CD2-CB 4.45Å; L323-L340 HydrophobicContact CD2-CD1 4.2Å; L323-L368 HydrophobicContact CD1-CD1 3.78Å; L323-L368 HydrophobicContact CD2-CD1 4.02Å; L323-L368 HydrophobicContact CG-CD1 3.51Å; L323-V443 HydrophobicContact CD2-CB 3.84Å; L323-V443 HydrophobicContact CD2-CG1 4.47Å; L323-V443 HydrophobicContact CD2-CG2 4.48Å |
| 324 | R | 88.1 | Confident | 74.5 | Confident | 103 Ų | 103 | 81.6 Ų | 81.6 | 39% | 0.389 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 117.7 | 170.8 | -172.9 | 175.3 | 176.9 | -176.2 | -3.1 | 109.3 | V326 G338 V339 E341 | R324-V326 PolarHBondContact O-N 3.05Å; R324-G338 CarbonylContact O-C 3.55Å; R324-G338 VanDerWaalsContact O-CA 3.24Å; R324-G338 WeakPolarHBondContact O-CA 3.42Å; R324-V339 PolarHBondContact N-O 3.32Å; R324-V339 PolarHBondContact O-N 2.83Å; R324-E341 IonicContact NH1-OE1 3.44Å |
| 325 | P | 86.1 | Confident | 75.9 | Confident | 35 Ų | 35 | 75 Ų | 75 | 23% | 0.227 | 40% | 0.399 | C | S | . | . | trans | -68.1 | 130.3 | 175.6 | 28.2 | -32.2 | 0 | 0 | 0 | 109.1 | V335 | P325-V335 HydrophobicContact CB-CG1 4.31Å; P325-V335 HydrophobicContact CG-CG1 4.41Å; P325-V335 HydrophobicContact CG-CG2 4.28Å | ||
| 326 | V | 82 | Confident | 77 | Confident | 47 Ų | 47 | 69.7 Ų | 69.7 | 29% | 0.285 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -123.9 | -32.6 | -177.1 | 176.5 | 0 | 0 | 0 | 0 | 112.6 | R324 V339 L384 | R324-V326 PolarHBondContact O-N 3.05Å; V326-V339 HydrophobicContact CB-CG2 4.16Å; V326-V339 HydrophobicContact CG2-CB 4.27Å; V326-V339 HydrophobicContact CG2-CG2 3.47Å; V326-V339 VanDerWaalsContact CG2-CG2 3.47Å; V326-L384 HydrophobicContact CG1-CD2 3.22Å |
| 327 | L | 77.1 | Confident | 77.7 | Confident | 82 Ų | 82 | 69.5 Ų | 69.5 | 43% | 0.429 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -99.2 | -31.5 | 174.8 | -61.4 | -178 | 0 | 0 | 0 | 112.5 | P380 Y381 L384 | L327-P380 HydrophobicContact CD1-CB 3.76Å; L327-Y381 HydrophobicContact CD1-CD1 4.01Å; L327-Y381 HydrophobicContact CD1-CD2 3.77Å; L327-Y381 HydrophobicContact CD1-CE1 3.67Å; L327-Y381 HydrophobicContact CD1-CE2 3.4Å; L327-Y381 VanDerWaalsContact CD1-CE2 3.4Å; L327-Y381 HydrophobicContact CD1-CG 4.04Å; L327-Y381 HydrophobicContact CG-CD1 4.18Å; L327-Y381 HydrophobicContact CG-CE1 3.69Å; L327-Y381 HydrophobicContact CG-CE2 4.32Å; L327-L384 HydrophobicContact CD2-CD2 3.95Å |
| 328 | S | 64.9 | Low | 78.4 | Confident | 69 Ų | 69 | 63.2 Ų | 63.2 | 48% | 0.483 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -84 | 134.4 | 178 | -49.4 | 0 | 0 | 0 | 0 | 110.8 | ||
| 329 | G | 56.8 | Low | 78.7 | Confident | 52 Ų | 52 | 63.4 Ų | 63.4 | 54% | 0.536 | 36% | 0.359 | S | S | . | . | trans | -57.7 | 140.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | H331 | G329-H331 VanDerWaalsContact C-N 3.25Å; G329-H331 PolarHBondContact O-N 2.92Å | ||
| 330 | N | 52.1 | Low | 79.1 | Confident | 141 Ų | 141 | 56.7 Ų | 56.7 | 75% | 0.754 | 33% | 0.327 | S | S | * | . | trans | -77.9 | 71.5 | -176.7 | -161 | 32.2 | 0 | 0 | 0 | 110.9 | G332 | N330-G332 VanDerWaalsContact C-N 3.32Å; N330-G332 PolarHBondContact O-N 3.19Å | ||
| 331 | H | 52.3 | Low | 79.2 | Confident | 178 Ų | 178 | 53 Ų | 53 | 82% | 0.824 | 31% | 0.31 | S | S | * | . | trans | -92.2 | 30.9 | -177.9 | -68.1 | -67.8 | 0 | 0 | 0 | 113.9 | G329 G333 | G329-H331 VanDerWaalsContact C-N 3.25Å; G329-H331 PolarHBondContact O-N 2.92Å; H331-G333 PolarHBondContact O-N 3.09Å | ||
| 332 | G | 54.9 | Low | 79.1 | Confident | 60 Ų | 60 | 52.1 Ų | 52.1 | 62% | 0.619 | 30% | 0.303 | S | S | * | . | S | Bend | trans | 60.4 | 19.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | N330 | N330-G332 VanDerWaalsContact C-N 3.32Å; N330-G332 PolarHBondContact O-N 3.19Å |
| 333 | G | 64.6 | Low | 78.9 | Confident | 38 Ų | 38 | 50 Ų | 50 | 39% | 0.392 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -108.1 | -175.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | H331 V335 | H331-G333 PolarHBondContact O-N 3.09Å; G333-V335 PolarHBondContact O-N 2.75Å |
| 334 | L | 78.8 | Confident | 78.6 | Confident | 32 Ų | 32 | 51.1 Ų | 51.1 | 17% | 0.168 | 30% | 0.301 | C | S | . | . | trans | -54.2 | 118.3 | 176.7 | -176.8 | 67.9 | 0 | 0 | 0 | 111.6 | T336 F370 P447 F451 Y454 P569 T571 | L334-T336 HydrophobicContact CD2-CG2 4.04Å; L334-T336 HydrophobicContact CG-CG2 4.02Å; L334-T336 PolarHBondContact O-N 2.89Å; L334-F370 HydrophobicContact CD1-CE1 3.87Å; L334-F370 HydrophobicContact CD1-CZ 3.66Å; L334-F370 HydrophobicContact CD2-CE1 4.05Å; L334-F370 HydrophobicContact CG-CE1 4.05Å; L334-F370 HydrophobicContact CG-CZ 4.08Å; L334-P447 HydrophobicContact CD2-CB 4.12Å; L334-P447 HydrophobicContact CD2-CG 4Å; L334-F451 HydrophobicContact CD2-CB 4.17Å; L334-Y454 HydrophobicContact CB-CD2 4.5Å; L334-Y454 HydrophobicContact CB-CE2 4.33Å; L334-Y454 HydrophobicContact CD2-CE2 4.38Å; L334-P569 HydrophobicContact CD1-CB 3.67Å; L334-P569 HydrophobicContact CD1-CG 4.03Å; L334-T571 HydrophobicContact CD1-CG2 4.17Å | ||
| 335 | V | 85.8 | Confident | 78.2 | Confident | 45 Ų | 45 | 49.9 Ų | 49.9 | 27% | 0.273 | 31% | 0.313 | S | S | . | . | trans | -88.1 | 103.8 | 177.8 | -178.1 | 0 | 0 | 0 | 0 | 109.5 | L323 P325 G333 F370 | L323-V335 HydrophobicContact CB-CG1 3.86Å; P325-V335 HydrophobicContact CB-CG1 4.31Å; P325-V335 HydrophobicContact CG-CG1 4.41Å; P325-V335 HydrophobicContact CG-CG2 4.28Å; G333-V335 PolarHBondContact O-N 2.75Å; V335-F370 WeakPolarHBondContact O-CZ 3.2Å | ||
| 336 | T | 89.1 | Confident | 78 | Confident | 45 Ų | 45 | 51.3 Ų | 51.3 | 28% | 0.276 | 33% | 0.334 | S | S | . | . | trans | -97.2 | -23.2 | -179.9 | 55.1 | 0 | 0 | 0 | 0 | 113.5 | L334 F370 R444 C445 P447 | L334-T336 HydrophobicContact CD2-CG2 4.04Å; L334-T336 HydrophobicContact CG-CG2 4.02Å; L334-T336 PolarHBondContact O-N 2.89Å; T336-F370 HydrophobicContact CG2-CE1 3.97Å; T336-F370 HydrophobicContact CG2-CZ 4.34Å; T336-R444 CarbonylContact O-C 3.5Å; T336-R444 WeakPolarHBondContact O-CA 3.41Å; T336-C445 PolarHBondContact O-N 2.64Å; T336-P447 HydrophobicContact CG2-CG 3.58Å | ||
| 337 | E | 91.1 | Very high | 78.1 | Confident | 29 Ų | 29 | 54.4 Ų | 54.4 | 14% | 0.136 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 133.7 | -176.9 | -167.3 | -177.2 | 116.5 | 0 | 0 | 110.1 | Y381 V443 R444 | E337-Y381 WeakPolarHBondContact CG-OH 3.47Å; E337-Y381 VanDerWaalsContact OE1-CE2 3.25Å; E337-Y381 WeakPolarHBondContact OE1-CE2 3.38Å; E337-Y381 VanDerWaalsContact OE1-CZ 3.26Å; E337-Y381 PolarHBondContact OE1-OH 2.88Å; E337-V443 WeakPolarHBondContact CA-O 3.33Å; E337-R444 HydrophobicContact CB-CG 4.19Å; E337-R444 HydrophobicContact CG-CB 4.06Å; E337-R444 HydrophobicContact CG-CG 4.04Å; E337-R444 WeakPolarHBondContact OE2-CD 3.16Å; E337-R444 IonicContact OE2-CZ 3.83Å; E337-R444 IonicContact OE2-NE 3.1Å; E337-R444 PolarHBondContact OE2-NE 3.48Å; E337-R444 IonicContact OE2-NH1 3.88Å; E337-R444 PolarHBondContact OE2-NH1 3.27Å |
| 338 | G | 91.1 | Very high | 78.5 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.2 | -180 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115 | R324 V442 V443 | R324-G338 CarbonylContact O-C 3.55Å; R324-G338 VanDerWaalsContact O-CA 3.24Å; R324-G338 WeakPolarHBondContact O-CA 3.42Å; G338-V442 WeakPolarHBondContact O-CA 3.12Å; G338-V443 PolarHBondContact N-O 3.49Å; G338-V443 VanDerWaalsContact N-O 3.1Å; G338-V443 PolarHBondContact O-N 3.08Å |
| 339 | V | 91 | Very high | 79.5 | Confident | 5 Ų | 5 | 52.7 Ų | 52.7 | 3% | 0.03 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 130.2 | 176.9 | 179.8 | 0 | 0 | 0 | 0 | 109.6 | R324 V326 H440 V442 | R324-V339 PolarHBondContact N-O 3.32Å; R324-V339 PolarHBondContact O-N 2.83Å; V326-V339 HydrophobicContact CB-CG2 4.16Å; V326-V339 HydrophobicContact CG2-CB 4.27Å; V326-V339 HydrophobicContact CG2-CG2 3.47Å; V326-V339 VanDerWaalsContact CG2-CG2 3.47Å; V339-H440 HydrophobicContact CG1-CB 3.64Å; V339-H440 VanDerWaalsContact CG1-CD2 3.41Å; V339-H440 WeakPolarHBondContact CG1-CD2 3.45Å; V339-H440 WeakPolarHBondContact CG2-CD2 3.33Å; V339-H440 VanDerWaalsContact CG2-NE2 3.27Å; V339-H440 WeakPolarHBondContact CG2-NE2 3.44Å; V339-V442 HydrophobicContact CG2-CG2 4.37Å |
| 340 | L | 92.3 | Very high | 80.9 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 127.8 | 179.5 | -179.5 | 60.3 | 0 | 0 | 0 | 111.6 | A321 L323 V342 V351 W356 V364 A441 V443 | A321-L340 HydrophobicContact CB-CD1 4.14Å; L323-L340 HydrophobicContact CD2-CB 4.45Å; L323-L340 HydrophobicContact CD2-CD1 4.2Å; L340-V342 HydrophobicContact CD1-CG1 4.28Å; L340-V342 HydrophobicContact CD2-CG1 4.48Å; L340-V342 HydrophobicContact CG-CG1 4.27Å; L340-V351 HydrophobicContact CD2-CB 4.2Å; L340-V351 HydrophobicContact CD2-CG2 3.88Å; L340-V351 HydrophobicContact CG-CG2 4.02Å; L340-W356 HydrophobicContact CD2-CH2 3.21Å; L340-W356 HydrophobicContact CD2-CZ2 3.58Å; L340-W356 HydrophobicContact CD2-CZ3 3.76Å; L340-V364 HydrophobicContact CD1-CG1 3.71Å; L340-V364 HydrophobicContact CD1-CG2 4.46Å; L340-V364 HydrophobicContact CD2-CG1 4.47Å; L340-V364 HydrophobicContact CD2-CG2 4.03Å; L340-A441 HydrophobicContact CB-CB 4.39Å; L340-A441 PolarHBondContact N-O 3.4Å; L340-V443 HydrophobicContact CB-CG2 4.26Å; L340-V443 HydrophobicContact CD2-CG2 4.26Å |
| 341 | E | 90.7 | Very high | 82.7 | Confident | 8 Ų | 8 | 44.7 Ų | 44.7 | 4% | 0.037 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 136.6 | 166.2 | -67.4 | 176.4 | -177.3 | 0 | 0 | 109.4 | A321 R322 R324 W348 R349 H350 | A321-E341 CarbonylContact C-O 3.52Å; A321-E341 WeakPolarHBondContact CA-O 3.46Å; R322-E341 HydrophobicContact CG-CB 4.01Å; R322-E341 IonicContact CZ-OE2 2.96Å; R322-E341 PolarHBondContact N-O 2.96Å; R322-E341 IonicContact NE-OE2 2.89Å; R322-E341 PolarHBondContact NE-OE2 3.45Å; R322-E341 IonicContact NH2-OE2 3.29Å; R322-E341 PolarHBondContact NH2-OE2 3.48Å; R322-E341 PolarHBondContact O-N 3.04Å; R324-E341 IonicContact NH1-OE1 3.44Å; E341-W348 HydrophobicContact CB-CE3 3.98Å; E341-R349 CarbonylContact C-O 3.57Å; E341-R349 VanDerWaalsContact CA-O 3.25Å; E341-R349 WeakPolarHBondContact CA-O 3.17Å; E341-H350 WeakPolarHBondContact CG-ND1 3.31Å; E341-H350 IonicContact OE1-CE1 2.75Å; E341-H350 PolarHBondContact OE1-CE1 3.24Å; E341-H350 IonicContact OE1-ND1 3.26Å; E341-H350 IonicContact OE1-NE2 3.74Å |
| 342 | V | 90.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 146.9 | 176.2 | -62.8 | 0 | 0 | 0 | 0 | 110.2 | L318 E320 A321 L340 R349 V351 V407 L419 | L318-V342 HydrophobicContact CD1-CG2 4.41Å; L318-V342 HydrophobicContact CD2-CB 4.4Å; L318-V342 HydrophobicContact CD2-CG2 3.97Å; E320-V342 CarbonylContact O-C 3.53Å; E320-V342 VanDerWaalsContact O-CA 3.32Å; E320-V342 WeakPolarHBondContact O-CA 3.39Å; A321-V342 HydrophobicContact CB-CG1 4.26Å; L340-V342 HydrophobicContact CD1-CG1 4.28Å; L340-V342 HydrophobicContact CD2-CG1 4.48Å; L340-V342 HydrophobicContact CG-CG1 4.27Å; V342-R349 PolarHBondContact N-O 3.39Å; V342-R349 PolarHBondContact O-N 2.73Å; V342-V351 HydrophobicContact CB-CG2 4.38Å; V342-V351 HydrophobicContact CG1-CG2 3.82Å; V342-V351 HydrophobicContact CG2-CG2 3.69Å; V342-V407 HydrophobicContact CG2-CG2 3.52Å; V342-L419 HydrophobicContact CG1-CD1 3.75Å |
| 343 | K | 87.1 | Confident | 86 | Confident | 61 Ų | 61 | 35.3 Ų | 35.3 | 27% | 0.265 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 129 | 179.6 | -158.9 | -178.6 | 179.5 | -175.9 | 0 | 110 | E320 K347 W348 | E320-K343 HydrophobicContact CB-CB 3.79Å; E320-K343 HydrophobicContact CB-CD 4.21Å; E320-K343 HydrophobicContact CG-CD 4.3Å; E320-K343 PolarHBondContact O-N 3.13Å; E320-K343 WeakPolarHBondContact OE1-CD 3.47Å; E320-K343 IonicContact OE1-NZ 3.42Å; E320-K343 PolarHBondContact OE1-NZ 3.05Å; E320-K343 WeakPolarHBondContact OE2-CD 3.44Å; E320-K343 IonicContact OE2-NZ 2.74Å; E320-K343 PolarHBondContact OE2-NZ 3.34Å; K343-K347 WeakPolarHBondContact CA-O 3.3Å; K343-W348 HydrophobicContact CB-CD2 4.29Å; K343-W348 HydrophobicContact CB-CE3 4.1Å; K343-W348 HydrophobicContact CB-CH2 4.25Å; K343-W348 HydrophobicContact CB-CZ2 4.43Å; K343-W348 HydrophobicContact CB-CZ3 4.07Å; K343-W348 HydrophobicContact CD-CZ2 4.22Å; K343-W348 HydrophobicContact CG-CD2 4.46Å |
| 344 | H | 83.8 | Confident | 87.1 | Confident | 43 Ų | 43 | 38.9 Ų | 38.9 | 20% | 0.199 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 130.8 | 174.7 | 179.6 | 74.8 | 0 | 0 | 0 | 110 | Y317 L318 G346 K347 R349 L426 | Y317-H344 PolarHBondContact O-ND1 2.94Å; L318-H344 HydrophobicContact CD2-CB 4.04Å; H344-G346 VanDerWaalsContact C-N 3.29Å; H344-G346 PolarHBondContact O-N 2.86Å; H344-K347 PolarHBondContact N-O 3.1Å; H344-K347 PolarHBondContact O-N 2.97Å; H344-R349 PolarHBondContact O-NE 2.62Å; H344-L426 WeakPolarHBondContact NE2-CD1 3.36Å |
| 345 | A | 80.7 | Confident | 87.3 | Confident | 78 Ų | 78 | 39.2 Ų | 39.2 | 65% | 0.645 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 46.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K347 | A345-K347 PolarHBondContact O-N 2.9Å; A345-K347 VanDerWaalsContact O-N 3.12Å |
| 346 | G | 82.3 | Confident | 87.6 | Confident | 65 Ų | 65 | 38.8 Ų | 38.8 | 67% | 0.67 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | -1.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | H344 | H344-G346 VanDerWaalsContact C-N 3.29Å; H344-G346 PolarHBondContact O-N 2.86Å |
| 347 | K | 83.5 | Confident | 87.7 | Confident | 112 Ų | 112 | 39.4 Ų | 39.4 | 49% | 0.487 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 140 | -178.8 | -65 | 179.5 | -176.4 | 174.4 | 0 | 111.2 | K343 H344 A345 Y405 | K343-K347 WeakPolarHBondContact CA-O 3.3Å; H344-K347 PolarHBondContact N-O 3.1Å; H344-K347 PolarHBondContact O-N 2.97Å; A345-K347 PolarHBondContact O-N 2.9Å; A345-K347 VanDerWaalsContact O-N 3.12Å; K347-Y405 HydrophobicContact CD-CD2 4.42Å; K347-Y405 HydrophobicContact CD-CE2 4.4Å |
| 348 | W | 86 | Confident | 87.9 | Confident | 92 Ų | 92 | 42.4 Ų | 42.4 | 35% | 0.348 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 132.2 | 171.4 | -69.7 | 99.7 | 0 | 0 | 0 | 110.5 | E320 R322 E341 K343 | E320-W348 HydrophobicContact CB-CH2 4.05Å; R322-W348 HydrophobicContact CB-CH2 4.13Å; R322-W348 HydrophobicContact CB-CZ3 4.07Å; R322-W348 HydrophobicContact CG-CE3 3.94Å; R322-W348 HydrophobicContact CG-CH2 3.94Å; R322-W348 HydrophobicContact CG-CZ3 3.58Å; E341-W348 HydrophobicContact CB-CE3 3.98Å; K343-W348 HydrophobicContact CB-CD2 4.29Å; K343-W348 HydrophobicContact CB-CE3 4.1Å; K343-W348 HydrophobicContact CB-CH2 4.25Å; K343-W348 HydrophobicContact CB-CZ2 4.43Å; K343-W348 HydrophobicContact CB-CZ3 4.07Å; K343-W348 HydrophobicContact CD-CZ2 4.22Å; K343-W348 HydrophobicContact CG-CD2 4.46Å |
| 349 | R | 85.3 | Confident | 88 | Confident | 23 Ų | 23 | 44.6 Ų | 44.6 | 9% | 0.087 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 142.8 | -173 | -61.8 | -171.7 | -176.2 | -132.2 | -6.3 | 109.7 | E341 V342 H344 Y405 V407 | E341-R349 CarbonylContact C-O 3.57Å; E341-R349 VanDerWaalsContact CA-O 3.25Å; E341-R349 WeakPolarHBondContact CA-O 3.17Å; V342-R349 PolarHBondContact N-O 3.39Å; V342-R349 PolarHBondContact O-N 2.73Å; H344-R349 PolarHBondContact O-NE 2.62Å; R349-Y405 WeakPolarHBondContact CB-O 3.33Å; R349-Y405 WeakPolarHBondContact CD-O 3.34Å; R349-Y405 WeakPolarHBondContact CG-O 3.47Å; R349-Y405 VanDerWaalsContact CZ-CD1 3.42Å; R349-Y405 VanDerWaalsContact NH2-CD1 3.26Å; R349-V407 HydrophobicContact CB-CG2 4.44Å |
| 350 | H | 86.2 | Confident | 88.2 | Confident | 25 Ų | 25 | 44.3 Ų | 44.3 | 12% | 0.116 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 149.4 | 173 | -66.4 | -67.8 | 0 | 0 | 0 | 110.7 | E341 W406 V407 | E341-H350 WeakPolarHBondContact CG-ND1 3.31Å; E341-H350 IonicContact OE1-CE1 2.75Å; E341-H350 PolarHBondContact OE1-CE1 3.24Å; E341-H350 IonicContact OE1-ND1 3.26Å; E341-H350 IonicContact OE1-NE2 3.74Å; H350-W406 HydrophobicContact CB-CD2 3.96Å; H350-W406 HydrophobicContact CB-CE3 3.43Å; H350-W406 VanDerWaalsContact CB-CE3 3.43Å; H350-W406 HydrophobicContact CB-CH2 3.52Å; H350-W406 HydrophobicContact CB-CZ2 4.04Å; H350-W406 HydrophobicContact CB-CZ3 3.2Å; H350-W406 AromaticContact CG-CH2 3.92Å; H350-V407 PolarHBondContact O-N 2.98Å |
| 351 | V | 89.1 | Confident | 88.3 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | B | Isolated β-bridge | trans | -101.8 | 135.9 | 175.4 | -173.6 | 0 | 0 | 0 | 0 | 109.2 | L340 V342 W356 V407 V410 H440 A441 | L340-V351 HydrophobicContact CD2-CB 4.2Å; L340-V351 HydrophobicContact CD2-CG2 3.88Å; L340-V351 HydrophobicContact CG-CG2 4.02Å; V342-V351 HydrophobicContact CB-CG2 4.38Å; V342-V351 HydrophobicContact CG1-CG2 3.82Å; V342-V351 HydrophobicContact CG2-CG2 3.69Å; V351-W356 HydrophobicContact CG1-CE3 3.76Å; V351-W356 HydrophobicContact CG1-CZ3 3.75Å; V351-V407 HydrophobicContact CG1-CB 4.43Å; V351-V407 HydrophobicContact CG2-CB 4.25Å; V351-V407 HydrophobicContact CG2-CG2 4.47Å; V351-V410 HydrophobicContact CG1-CB 4.49Å; V351-V410 HydrophobicContact CG1-CG2 3.95Å; V351-H440 CarbonylContact O-C 3.53Å; V351-H440 WeakPolarHBondContact O-CA 3.47Å; V351-A441 HydrophobicContact CB-CB 4.12Å; V351-A441 HydrophobicContact CG1-CB 4.28Å; V351-A441 PolarHBondContact O-N 2.83Å |
| 352 | C | 87.9 | Confident | 88.5 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.034 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -74.6 | 139.9 | 174.7 | 178.4 | 0 | 0 | 0 | 0 | 110.7 | K354 V407 E408 C435 | C352-K354 VanDerWaalsContact C-N 3.27Å; C352-K354 PolarHBondContact O-N 2.7Å; C352-V407 PolarHBondContact N-O 2.82Å; C352-E408 WeakPolarHBondContact CB-O 3.43Å; C352-C435 HydrophobicContact CB-CB 3.73Å; C352-C435 WeakPolarHBondContact CB-SG 3.33Å; C352-C435 WeakPolarHBondContact SG-CB 3.44Å; C352-C435 CovalentContact SG-SG 2.04Å; C352-C435 PolarHBondContact SG-SG 2.88Å |
| 353 | N | 90.2 | Very high | 88.7 | Confident | 35 Ų | 35 | 48.5 Ų | 48.5 | 19% | 0.187 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -77.8 | -8.6 | 179.6 | 78.7 | -30.8 | 0 | 0 | 0 | 113.9 | G355 W356 G438 M439 A441 | N353-G355 PolarHBondContact O-N 2.68Å; N353-W356 WeakPolarHBondContact O-CB 3.29Å; N353-W356 PolarHBondContact O-N 3.47Å; N353-W356 VanDerWaalsContact O-N 3.08Å; N353-G438 WeakPolarHBondContact OD1-CA 3.39Å; N353-M439 HydrophobicContact CB-CG 4.46Å; N353-M439 WeakPolarHBondContact CB-O 3.28Å; N353-M439 PolarHBondContact N-O 2.79Å; N353-M439 WeakPolarHBondContact ND2-CG 3.41Å; N353-M439 PolarHBondContact OD1-N 3.41Å; N353-M439 PolarHBondContact OD1-O 2.87Å; N353-M439 VanDerWaalsContact OD1-O 3.1Å; N353-A441 HydrophobicContact CB-CB 4.45Å |
| 354 | K | 86.4 | Confident | 89.1 | Confident | 114 Ų | 114 | 45.6 Ų | 45.6 | 50% | 0.496 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 117.1 | 179.1 | -71.3 | -70 | -174 | -178.1 | 0 | 109.9 | C352 W356 G437 | C352-K354 VanDerWaalsContact C-N 3.27Å; C352-K354 PolarHBondContact O-N 2.7Å; K354-W356 VanDerWaalsContact C-N 3.26Å; K354-G437 WeakPolarHBondContact CE-O 3.38Å; K354-G437 PolarHBondContact NZ-O 2.81Å; K354-G437 VanDerWaalsContact NZ-O 3.09Å |
| 355 | G | 83.2 | Confident | 89.7 | Confident | 38 Ų | 38 | 43.6 Ų | 43.6 | 39% | 0.392 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 8.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | N353 Q411 | N353-G355 PolarHBondContact O-N 2.68Å; G355-Q411 PolarHBondContact O-OE1 3Å; G355-Q411 VanDerWaalsContact O-OE1 3.05Å |
| 356 | W | 91.4 | Very high | 90.4 | Very high | 36 Ų | 36 | 40.3 Ų | 40.3 | 14% | 0.136 | 22% | 0.217 | C | C | . | . | trans | -85.2 | 126.6 | 169.9 | -168.5 | -84.6 | 0 | 0 | 0 | 109.8 | L340 V351 N353 K354 S361 V364 V410 L419 A441 V443 | L340-W356 HydrophobicContact CD2-CH2 3.21Å; L340-W356 HydrophobicContact CD2-CZ2 3.58Å; L340-W356 HydrophobicContact CD2-CZ3 3.76Å; V351-W356 HydrophobicContact CG1-CE3 3.76Å; V351-W356 HydrophobicContact CG1-CZ3 3.75Å; N353-W356 WeakPolarHBondContact O-CB 3.29Å; N353-W356 PolarHBondContact O-N 3.47Å; N353-W356 VanDerWaalsContact O-N 3.08Å; K354-W356 VanDerWaalsContact C-N 3.26Å; W356-S361 PolarHBondContact NE1-OG 3.26Å; W356-V364 HydrophobicContact CH2-CG2 3.55Å; W356-V364 HydrophobicContact CZ2-CB 4.48Å; W356-V364 HydrophobicContact CZ2-CG2 3.79Å; W356-V410 HydrophobicContact CE3-CB 4.16Å; W356-V410 HydrophobicContact CZ3-CB 3.75Å; W356-V410 HydrophobicContact CZ3-CG1 3.92Å; W356-V410 HydrophobicContact CZ3-CG2 4.34Å; W356-L419 HydrophobicContact CH2-CD2 4.42Å; W356-A441 HydrophobicContact CB-CB 4.48Å; W356-A441 HydrophobicContact CD2-CB 3.91Å; W356-A441 HydrophobicContact CE3-CB 4.22Å; W356-A441 HydrophobicContact CG-CB 4Å; W356-V443 HydrophobicContact CZ2-CG2 3.81Å | ||
| 357 | D | 92.5 | Very high | 91 | Very high | 59 Ų | 59 | 38.5 Ų | 38.5 | 32% | 0.316 | 19% | 0.191 | S | C | . | . | trans | -126 | -177.4 | 179.8 | 65.5 | 17 | 0 | 0 | 0 | 112.2 | S359 S360 S361 Q411 | D357-S359 VanDerWaalsContact C-N 3.26Å; D357-S359 PolarHBondContact O-N 3.19Å; D357-S359 WeakPolarHBondContact OD1-CA 3.48Å; D357-S359 WeakPolarHBondContact OD1-CB 3.48Å; D357-S359 PolarHBondContact OD1-N 3.38Å; D357-S360 PolarHBondContact O-N 3.23Å; D357-S360 PolarHBondContact OD1-N 3.41Å; D357-S360 PolarHBondContact OD1-OG 2.65Å; D357-S361 PolarHBondContact O-N 3.18Å; D357-S361 VanDerWaalsContact O-N 3.11Å; D357-S361 PolarHBondContact O-OG 3.2Å; D357-Q411 PolarHBondContact OD2-NE2 2.92Å | ||
| 358 | L | 93.9 | Very high | 91.5 | Very high | 92 Ų | 92 | 34.7 Ų | 34.7 | 48% | 0.482 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -66.6 | -28 | 179.4 | -172 | 62.5 | 0 | 0 | 0 | 112.3 | S361 R362 A373 | L358-S361 WeakPolarHBondContact O-CB 3.01Å; L358-S361 PolarHBondContact O-N 2.91Å; L358-R362 PolarHBondContact O-N 3.5Å; L358-A373 HydrophobicContact CD1-CB 4.08Å |
| 359 | S | 94.6 | Very high | 91.8 | Very high | 45 Ų | 45 | 30.3 Ų | 30.3 | 32% | 0.315 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -67.9 | -45 | 177.3 | -60.7 | 0 | 0 | 0 | 0 | 111.2 | D357 S361 R362 V363 | D357-S359 VanDerWaalsContact C-N 3.26Å; D357-S359 PolarHBondContact O-N 3.19Å; D357-S359 WeakPolarHBondContact OD1-CA 3.48Å; D357-S359 WeakPolarHBondContact OD1-CB 3.48Å; D357-S359 PolarHBondContact OD1-N 3.38Å; S359-S361 VanDerWaalsContact C-N 3.33Å; S359-S361 PolarHBondContact O-N 3Å; S359-R362 WeakPolarHBondContact O-CB 3.15Å; S359-R362 PolarHBondContact O-N 2.75Å; S359-V363 PolarHBondContact O-N 2.75Å |
| 360 | S | 94.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.3 | -40.6 | 171.1 | -64.5 | 0 | 0 | 0 | 0 | 111.9 | D357 R362 V363 V364 C412 | D357-S360 PolarHBondContact O-N 3.23Å; D357-S360 PolarHBondContact OD1-N 3.41Å; D357-S360 PolarHBondContact OD1-OG 2.65Å; S360-R362 VanDerWaalsContact C-N 3.33Å; S360-R362 PolarHBondContact O-N 3.23Å; S360-V363 PolarHBondContact O-N 3.44Å; S360-V364 PolarHBondContact O-N 3.15Å; S360-C412 PolarHBondContact OG-N 2.84Å; S360-C412 VanDerWaalsContact OG-N 3.1Å |
| 361 | S | 95.3 | Very high | 92.6 | Very high | 7 Ų | 7 | 29.3 Ų | 29.3 | 5% | 0.049 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61 | -39.2 | 173.2 | -65.4 | 0 | 0 | 0 | 0 | 112.7 | W356 D357 L358 S359 V364 C365 | W356-S361 PolarHBondContact NE1-OG 3.26Å; D357-S361 PolarHBondContact O-N 3.18Å; D357-S361 VanDerWaalsContact O-N 3.11Å; D357-S361 PolarHBondContact O-OG 3.2Å; L358-S361 WeakPolarHBondContact O-CB 3.01Å; L358-S361 PolarHBondContact O-N 2.91Å; S359-S361 VanDerWaalsContact C-N 3.33Å; S359-S361 PolarHBondContact O-N 3Å; S361-V364 PolarHBondContact O-N 3.32Å; S361-C365 WeakPolarHBondContact O-CB 2.97Å; S361-C365 PolarHBondContact O-N 3.49Å; S361-C365 PolarHBondContact O-SG 2.98Å |
| 362 | R | 94.4 | Very high | 92.7 | Very high | 85 Ų | 85 | 30.8 Ų | 30.8 | 32% | 0.321 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.1 | -44.7 | 178 | -178.3 | -177.9 | 174.6 | 100.1 | -1.2 | 111.9 | L358 S359 S360 C365 G366 A373 G414 R506 | L358-R362 PolarHBondContact O-N 3.5Å; S359-R362 WeakPolarHBondContact O-CB 3.15Å; S359-R362 PolarHBondContact O-N 2.75Å; S360-R362 VanDerWaalsContact C-N 3.33Å; S360-R362 PolarHBondContact O-N 3.23Å; R362-C365 PolarHBondContact O-N 3.07Å; R362-G366 PolarHBondContact O-N 3.23Å; R362-A373 HydrophobicContact CB-CB 4.42Å; R362-G414 WeakPolarHBondContact CD-O 3.28Å; R362-G414 PolarHBondContact NE-O 3.4Å; R362-R506 VanDerWaalsContact NH2-CZ 3.27Å |
| 363 | V | 94.8 | Very high | 93.1 | Very high | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.024 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.9 | -46.7 | 177.5 | 178.6 | 0 | 0 | 0 | 0 | 110.7 | S359 S360 G366 M367 C412 E416 L419 | S359-V363 PolarHBondContact O-N 2.75Å; S360-V363 PolarHBondContact O-N 3.44Å; V363-G366 PolarHBondContact O-N 3.26Å; V363-M367 WeakPolarHBondContact O-CG 3.24Å; V363-M367 PolarHBondContact O-N 3.22Å; V363-C412 HydrophobicContact CB-CB 4.49Å; V363-C412 HydrophobicContact CG2-CB 3.72Å; V363-E416 HydrophobicContact CG1-CB 4.29Å; V363-E416 HydrophobicContact CG2-CB 4.09Å; V363-L419 HydrophobicContact CG1-CD2 4.14Å; V363-L419 HydrophobicContact CG1-CG 4.46Å |
| 364 | V | 95.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.9 | -46.3 | 178.3 | 171.7 | 0 | 0 | 0 | 0 | 112.1 | L340 W356 S360 S361 G366 M367 L368 L419 V443 | L340-V364 HydrophobicContact CD1-CG1 3.71Å; L340-V364 HydrophobicContact CD1-CG2 4.46Å; L340-V364 HydrophobicContact CD2-CG1 4.47Å; L340-V364 HydrophobicContact CD2-CG2 4.03Å; W356-V364 HydrophobicContact CH2-CG2 3.55Å; W356-V364 HydrophobicContact CZ2-CB 4.48Å; W356-V364 HydrophobicContact CZ2-CG2 3.79Å; S360-V364 PolarHBondContact O-N 3.15Å; S361-V364 PolarHBondContact O-N 3.32Å; V364-G366 VanDerWaalsContact C-N 3.27Å; V364-G366 PolarHBondContact O-N 2.73Å; V364-M367 PolarHBondContact O-N 3.42Å; V364-L368 HydrophobicContact CG1-CD1 3.66Å; V364-L368 HydrophobicContact CG1-CG 4.25Å; V364-L368 WeakPolarHBondContact O-CB 3.43Å; V364-L368 VanDerWaalsContact O-CG 3.22Å; V364-L368 WeakPolarHBondContact O-CG 3.06Å; V364-L368 PolarHBondContact O-N 3.14Å; V364-L419 HydrophobicContact CG2-CD1 3.66Å; V364-L419 HydrophobicContact CG2-CD2 3.72Å; V364-L419 HydrophobicContact CG2-CG 3.79Å; V364-V443 HydrophobicContact CG1-CG1 4.34Å; V364-V443 HydrophobicContact CG1-CG2 4.45Å |
| 365 | C | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.1 | -41.6 | 176.5 | -72.3 | 0 | 0 | 0 | 0 | 111.2 | S361 R362 L368 G369 F370 A373 V443 C445 | S361-C365 WeakPolarHBondContact O-CB 2.97Å; S361-C365 PolarHBondContact O-N 3.49Å; S361-C365 PolarHBondContact O-SG 2.98Å; R362-C365 PolarHBondContact O-N 3.07Å; C365-L368 CarbonylContact O-C 3.5Å; C365-L368 PolarHBondContact O-N 2.88Å; C365-L368 VanDerWaalsContact O-N 3.16Å; C365-G369 PolarHBondContact O-N 3.3Å; C365-G369 VanDerWaalsContact O-N 3.15Å; C365-F370 CarbonylContact C-O 3.58Å; C365-F370 VanDerWaalsContact C-O 3.31Å; C365-F370 HydrophobicContact CB-CB 4.05Å; C365-F370 WeakPolarHBondContact O-CA 3.47Å; C365-F370 WeakPolarHBondContact O-CB 3.39Å; C365-F370 PolarHBondContact O-N 2.91Å; C365-A373 HydrophobicContact CB-CB 4.17Å; C365-A373 VanDerWaalsContact SG-CB 3.6Å; C365-V443 WeakPolarHBondContact SG-CG1 3.39Å; C365-C445 WeakPolarHBondContact CA-SG 3.42Å; C365-C445 HydrophobicContact CB-CB 3.82Å; C365-C445 WeakPolarHBondContact CB-SG 3.05Å; C365-C445 WeakPolarHBondContact SG-CA 3.45Å; C365-C445 WeakPolarHBondContact SG-CB 3.4Å; C365-C445 CovalentContact SG-SG 2.04Å; C365-C445 PolarHBondContact SG-SG 3.49Å |
| 366 | G | 95.1 | Very high | 93.7 | Very high | 9 Ų | 9 | 32.9 Ų | 32.9 | 9% | 0.093 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.2 | -50.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R362 V363 V364 L368 G369 F370 G511 S512 N567 | R362-G366 PolarHBondContact O-N 3.23Å; V363-G366 PolarHBondContact O-N 3.26Å; V364-G366 VanDerWaalsContact C-N 3.27Å; V364-G366 PolarHBondContact O-N 2.73Å; G366-L368 PolarHBondContact O-N 2.84Å; G366-G369 PolarHBondContact O-N 3.2Å; G366-F370 WeakPolarHBondContact CA-O 2.94Å; G366-F370 PolarHBondContact N-O 3.3Å; G366-G511 CarbonylContact O-C 3.55Å; G366-G511 VanDerWaalsContact O-CA 3.24Å; G366-G511 WeakPolarHBondContact O-CA 3.35Å; G366-S512 VanDerWaalsContact C-OG 3.25Å; G366-S512 PolarHBondContact O-N 2.82Å; G366-S512 PolarHBondContact O-OG 2.96Å; G366-N567 WeakPolarHBondContact O-CB 3.38Å |
| 367 | M | 94.9 | Very high | 93.6 | Very high | 28 Ų | 28 | 35.7 Ų | 35.7 | 14% | 0.138 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61 | -31.8 | 177 | -68.1 | 176.7 | 74.7 | 0 | 0 | 113.1 | E319 V363 V364 G369 S418 L419 S512 | E319-M367 WeakPolarHBondContact O-CE 3.46Å; V363-M367 WeakPolarHBondContact O-CG 3.24Å; V363-M367 PolarHBondContact O-N 3.22Å; V364-M367 PolarHBondContact O-N 3.42Å; M367-G369 VanDerWaalsContact C-N 3.26Å; M367-G369 PolarHBondContact O-N 2.87Å; M367-S418 WeakPolarHBondContact CE-OG 3.27Å; M367-L419 HydrophobicContact CE-CB 4.46Å; M367-L419 HydrophobicContact SD-CB 3.8Å; M367-L419 HydrophobicContact SD-CD1 4.43Å; M367-L419 HydrophobicContact SD-CG 3.71Å; M367-L419 PolarHBondContact SD-N 2.92Å; M367-S512 PolarHBondContact N-OG 2.88Å |
| 368 | L | 93.4 | Very high | 93.3 | Very high | 31 Ų | 31 | 38 Ų | 38 | 16% | 0.162 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 4.5 | 178.9 | -65.6 | 173.6 | 0 | 0 | 0 | 113.4 | A321 L323 V364 C365 G366 F370 P569 | A321-L368 HydrophobicContact CB-CD2 4.49Å; A321-L368 WeakPolarHBondContact O-CD2 2.92Å; L323-L368 HydrophobicContact CD1-CD1 3.78Å; L323-L368 HydrophobicContact CD2-CD1 4.02Å; L323-L368 HydrophobicContact CG-CD1 3.51Å; V364-L368 HydrophobicContact CG1-CD1 3.66Å; V364-L368 HydrophobicContact CG1-CG 4.25Å; V364-L368 WeakPolarHBondContact O-CB 3.43Å; V364-L368 VanDerWaalsContact O-CG 3.22Å; V364-L368 WeakPolarHBondContact O-CG 3.06Å; V364-L368 PolarHBondContact O-N 3.14Å; C365-L368 CarbonylContact O-C 3.5Å; C365-L368 PolarHBondContact O-N 2.88Å; C365-L368 VanDerWaalsContact O-N 3.16Å; G366-L368 PolarHBondContact O-N 2.84Å; L368-F370 HydrophobicContact CB-CD2 3.81Å; L368-F370 HydrophobicContact CB-CE2 4.04Å; L368-F370 WeakPolarHBondContact O-CD2 3.37Å; L368-P569 WeakPolarHBondContact O-CA 3.43Å; L368-P569 WeakPolarHBondContact O-CB 3.45Å |
| 369 | G | 93.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | 15.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | C365 G366 M367 F510 G511 N567 P569 | C365-G369 PolarHBondContact O-N 3.3Å; C365-G369 VanDerWaalsContact O-N 3.15Å; G366-G369 PolarHBondContact O-N 3.2Å; M367-G369 VanDerWaalsContact C-N 3.26Å; M367-G369 PolarHBondContact O-N 2.87Å; G369-F510 CarbonylContact O-C 3.35Å; G369-G511 VanDerWaalsContact C-CA 3.44Å; G369-G511 PolarHBondContact O-N 3.34Å; G369-G511 VanDerWaalsContact O-N 3.17Å; G369-N567 WeakPolarHBondContact CA-O 3.25Å; G369-P569 VanDerWaalsContact O-CD 3.26Å; G369-P569 WeakPolarHBondContact O-CD 3.49Å |
| 370 | F | 94 | Very high | 92.9 | Very high | 6 Ų | 6 | 38.9 Ų | 38.9 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | trans | -105.8 | 136 | 178 | -61.3 | -85.7 | 0 | 0 | 0 | 111.4 | L334 V335 T336 C365 G366 L368 A372 C445 P447 P569 | L334-F370 HydrophobicContact CD1-CE1 3.87Å; L334-F370 HydrophobicContact CD1-CZ 3.66Å; L334-F370 HydrophobicContact CD2-CE1 4.05Å; L334-F370 HydrophobicContact CG-CE1 4.05Å; L334-F370 HydrophobicContact CG-CZ 4.08Å; V335-F370 WeakPolarHBondContact O-CZ 3.2Å; T336-F370 HydrophobicContact CG2-CE1 3.97Å; T336-F370 HydrophobicContact CG2-CZ 4.34Å; C365-F370 CarbonylContact C-O 3.58Å; C365-F370 VanDerWaalsContact C-O 3.31Å; C365-F370 HydrophobicContact CB-CB 4.05Å; C365-F370 WeakPolarHBondContact O-CA 3.47Å; C365-F370 WeakPolarHBondContact O-CB 3.39Å; C365-F370 PolarHBondContact O-N 2.91Å; G366-F370 WeakPolarHBondContact CA-O 2.94Å; G366-F370 PolarHBondContact N-O 3.3Å; L368-F370 HydrophobicContact CB-CD2 3.81Å; L368-F370 HydrophobicContact CB-CE2 4.04Å; L368-F370 WeakPolarHBondContact O-CD2 3.37Å; F370-A372 VanDerWaalsContact C-N 3.29Å; F370-A372 PolarHBondContact O-N 3.48Å; F370-C445 HydrophobicContact CB-CB 3.64Å; F370-C445 HydrophobicContact CD1-CB 3.87Å; F370-C445 HydrophobicContact CD2-CB 3.58Å; F370-C445 HydrophobicContact CE1-CB 4.4Å; F370-C445 HydrophobicContact CE2-CB 4.15Å; F370-C445 HydrophobicContact CG-CB 3.42Å; F370-C445 VanDerWaalsContact CG-CB 3.42Å; F370-P447 HydrophobicContact CE1-CG 4.46Å; F370-P569 HydrophobicContact CD1-CB 4.44Å; F370-P569 HydrophobicContact CD2-CB 4.33Å; F370-P569 HydrophobicContact CE1-CB 4Å; F370-P569 HydrophobicContact CE2-CB 3.87Å; F370-P569 HydrophobicContact CZ-CB 3.7Å | ||
| 371 | P | 93.4 | Very high | 92.6 | Very high | 22 Ų | 22 | 39 Ų | 39 | 14% | 0.143 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -69.9 | -23.3 | -176.2 | 25.5 | -35.5 | 0 | 0 | 0 | 113.9 | V446 R506 F510 | P371-V446 WeakPolarHBondContact CD-O 3.49Å; P371-R506 HydrophobicContact CB-CG 3.78Å; P371-R506 WeakPolarHBondContact O-CD 3.5Å; P371-R506 WeakPolarHBondContact O-CG 3.39Å; P371-F510 WeakPolarHBondContact CA-O 3.49Å; P371-F510 WeakPolarHBondContact CB-O 3.38Å |
| 372 | A | 92.9 | Very high | 92.3 | Very high | 31 Ų | 31 | 42.6 Ų | 42.6 | 26% | 0.256 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 164 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F370 V446 | F370-A372 VanDerWaalsContact C-N 3.29Å; F370-A372 PolarHBondContact O-N 3.48Å; A372-V446 HydrophobicContact CB-CB 4.24Å; A372-V446 HydrophobicContact CB-CG2 4.44Å; A372-V446 PolarHBondContact O-N 3.5Å |
| 373 | A | 94.4 | Very high | 92 | Very high | 20 Ų | 20 | 46 Ų | 46 | 17% | 0.165 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 150.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | L358 R362 C365 R444 | L358-A373 HydrophobicContact CD1-CB 4.08Å; R362-A373 HydrophobicContact CB-CB 4.42Å; C365-A373 HydrophobicContact CB-CB 4.17Å; C365-A373 VanDerWaalsContact SG-CB 3.6Å; A373-R444 WeakPolarHBondContact CA-O 3.15Å |
| 374 | E | 94.4 | Very high | 91.7 | Very high | 74 Ų | 74 | 48.1 Ų | 48.1 | 35% | 0.346 | 26% | 0.256 | S | S | . | . | trans | -130.1 | 158.9 | 177.5 | 66.1 | 177.6 | -178.1 | 0 | 0 | 112.5 | R444 V446 | E374-R444 HydrophobicContact CG-CB 4.31Å; E374-R444 HydrophobicContact CG-CG 3.81Å; E374-R444 PolarHBondContact N-O 3.2Å; E374-R444 WeakPolarHBondContact OE1-CD 3.35Å; E374-R444 IonicContact OE1-CZ 2.61Å; E374-R444 VanDerWaalsContact OE1-CZ 3.24Å; E374-R444 IonicContact OE1-NE 3.02Å; E374-R444 PolarHBondContact OE1-NE 3.33Å; E374-R444 IonicContact OE1-NH2 3.03Å; E374-R444 PolarHBondContact OE1-NH2 3.01Å; E374-V446 HydrophobicContact CB-CG2 4Å; E374-V446 HydrophobicContact CG-CG2 3.93Å | ||
| 375 | S | 91.4 | Very high | 91.2 | Very high | 102 Ų | 102 | 49 Ų | 49 | 71% | 0.713 | 26% | 0.259 | S | S | * | . | trans | -76.5 | 151.7 | 173.5 | 57.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 376 | F | 88.4 | Confident | 90.8 | Very high | 39 Ų | 39 | 52.3 Ų | 52.3 | 17% | 0.171 | 28% | 0.277 | C | S | . | . | trans | -143.7 | 165.2 | 180 | 62.8 | -82.6 | 0 | 0 | 0 | 111.4 | Q378 Y381 V442 R444 | F376-Q378 HydrophobicContact CD2-CG 4.44Å; F376-Q378 HydrophobicContact CE2-CG 3.8Å; F376-Q378 HydrophobicContact CZ-CG 4.09Å; F376-Q378 PolarHBondContact O-N 3.35Å; F376-Y381 HydrophobicContact CD2-CD2 4.2Å; F376-Y381 HydrophobicContact CD2-CE2 4.09Å; F376-Y381 AromaticContact CE2-CD2 3.95Å; F376-Y381 HydrophobicContact CE2-CD2 3.95Å; F376-Y381 HydrophobicContact CE2-CE2 4.12Å; F376-V442 HydrophobicContact CD2-CG1 4.29Å; F376-V442 HydrophobicContact CE1-CB 4.35Å; F376-V442 HydrophobicContact CE1-CG1 4.14Å; F376-V442 VanDerWaalsContact CE1-O 3.28Å; F376-V442 WeakPolarHBondContact CE1-O 3.44Å; F376-V442 HydrophobicContact CE2-CB 3.76Å; F376-V442 HydrophobicContact CE2-CG1 3.47Å; F376-V442 VanDerWaalsContact CE2-CG1 3.47Å; F376-V442 HydrophobicContact CZ-CB 3.42Å; F376-V442 VanDerWaalsContact CZ-CB 3.42Å; F376-V442 HydrophobicContact CZ-CG1 3.43Å; F376-V442 VanDerWaalsContact CZ-CG1 3.43Å; F376-V442 VanDerWaalsContact CZ-O 3.29Å; F376-V442 WeakPolarHBondContact CZ-O 3.18Å; F376-R444 HydrophobicContact CB-CB 4.39Å; F376-R444 HydrophobicContact CD1-CB 3.73Å; F376-R444 HydrophobicContact CE1-CB 4.49Å; F376-R444 HydrophobicContact CG-CB 4.28Å | ||
| 377 | D | 87.8 | Confident | 90.5 | Very high | 96 Ų | 96 | 55.6 Ų | 55.6 | 51% | 0.513 | 30% | 0.299 | S | S | . | . | trans | -73.6 | 115.6 | 175 | -176.7 | 11.1 | 0 | 0 | 0 | 110.8 | N379 P380 | D377-N379 VanDerWaalsContact C-N 3.32Å; D377-N379 VanDerWaalsContact OD1-CB 3.29Å; D377-N379 WeakPolarHBondContact OD1-CB 3.47Å; D377-N379 PolarHBondContact OD1-N 3.14Å; D377-N379 PolarHBondContact OD1-ND2 2.95Å; D377-P380 WeakPolarHBondContact O-CD 3.27Å | ||
| 378 | Q | 87.1 | Confident | 89.9 | Confident | 107 Ų | 107 | 58.2 Ų | 58.2 | 50% | 0.5 | 31% | 0.309 | S | S | . | . | trans | -79.4 | -14.1 | 180 | -61.3 | -174 | 18 | 0 | 0 | 113.1 | F376 Y381 R382 | F376-Q378 HydrophobicContact CD2-CG 4.44Å; F376-Q378 HydrophobicContact CE2-CG 3.8Å; F376-Q378 HydrophobicContact CZ-CG 4.09Å; F376-Q378 PolarHBondContact O-N 3.35Å; Q378-Y381 PolarHBondContact O-N 2.94Å; Q378-R382 WeakPolarHBondContact O-CB 3.39Å; Q378-R382 PolarHBondContact O-N 3.39Å | ||
| 379 | N | 89.4 | Confident | 89.3 | Confident | 100 Ų | 100 | 59.7 Ų | 59.7 | 54% | 0.535 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.7 | -44.2 | -173.3 | -67.5 | -45.4 | 0 | 0 | 0 | 114.3 | D377 Y381 R382 K383 | D377-N379 VanDerWaalsContact C-N 3.32Å; D377-N379 VanDerWaalsContact OD1-CB 3.29Å; D377-N379 WeakPolarHBondContact OD1-CB 3.47Å; D377-N379 PolarHBondContact OD1-N 3.14Å; D377-N379 PolarHBondContact OD1-ND2 2.95Å; N379-Y381 VanDerWaalsContact C-N 3.35Å; N379-Y381 PolarHBondContact O-N 2.96Å; N379-R382 PolarHBondContact O-N 2.94Å; N379-K383 WeakPolarHBondContact O-CG 3.25Å; N379-K383 PolarHBondContact O-N 3.47Å |
| 380 | P | 89.9 | Confident | 88.8 | Confident | 55 Ų | 55 | 63.5 Ų | 63.5 | 36% | 0.357 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.4 | -41.1 | 178.7 | -22.2 | 35.2 | 0 | 0 | 0 | 112.3 | L327 D377 K383 L384 | L327-P380 HydrophobicContact CD1-CB 3.76Å; D377-P380 WeakPolarHBondContact O-CD 3.27Å; P380-K383 PolarHBondContact O-N 3.05Å; P380-L384 WeakPolarHBondContact O-CB 3.24Å; P380-L384 PolarHBondContact O-N 3.35Å |
| 381 | Y | 88.6 | Confident | 88.3 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 1% | 0.012 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.7 | -40.5 | 177.1 | -71.6 | -80.3 | 0 | 0 | 0 | 112.1 | L327 E337 F376 Q378 N379 L384 W385 V442 | L327-Y381 HydrophobicContact CD1-CD1 4.01Å; L327-Y381 HydrophobicContact CD1-CD2 3.77Å; L327-Y381 HydrophobicContact CD1-CE1 3.67Å; L327-Y381 HydrophobicContact CD1-CE2 3.4Å; L327-Y381 VanDerWaalsContact CD1-CE2 3.4Å; L327-Y381 HydrophobicContact CD1-CG 4.04Å; L327-Y381 HydrophobicContact CG-CD1 4.18Å; L327-Y381 HydrophobicContact CG-CE1 3.69Å; L327-Y381 HydrophobicContact CG-CE2 4.32Å; E337-Y381 WeakPolarHBondContact CG-OH 3.47Å; E337-Y381 VanDerWaalsContact OE1-CE2 3.25Å; E337-Y381 WeakPolarHBondContact OE1-CE2 3.38Å; E337-Y381 VanDerWaalsContact OE1-CZ 3.26Å; E337-Y381 PolarHBondContact OE1-OH 2.88Å; F376-Y381 HydrophobicContact CD2-CD2 4.2Å; F376-Y381 HydrophobicContact CD2-CE2 4.09Å; F376-Y381 AromaticContact CE2-CD2 3.95Å; F376-Y381 HydrophobicContact CE2-CD2 3.95Å; F376-Y381 HydrophobicContact CE2-CE2 4.12Å; Q378-Y381 PolarHBondContact O-N 2.94Å; N379-Y381 VanDerWaalsContact C-N 3.35Å; N379-Y381 PolarHBondContact O-N 2.96Å; Y381-L384 PolarHBondContact O-N 3.05Å; Y381-W385 WeakPolarHBondContact O-CB 3.38Å; Y381-W385 PolarHBondContact O-N 3.36Å; Y381-V442 HydrophobicContact CD1-CG1 4.18Å; Y381-V442 HydrophobicContact CD1-CG2 3.67Å; Y381-V442 HydrophobicContact CD2-CG1 4.14Å; Y381-V442 HydrophobicContact CD2-CG2 4.46Å; Y381-V442 HydrophobicContact CE1-CG1 3.89Å; Y381-V442 HydrophobicContact CE1-CG2 4.1Å; Y381-V442 HydrophobicContact CE2-CG1 3.84Å; Y381-V442 HydrophobicContact CG-CG1 4.3Å; Y381-V442 HydrophobicContact CG-CG2 3.88Å |
| 382 | R | 89.1 | Confident | 87.6 | Confident | 82 Ų | 82 | 70.6 Ų | 70.6 | 31% | 0.309 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.1 | -48.2 | 176.2 | -174.9 | 70.5 | -154.6 | -172.7 | 6.5 | 111.8 | Q378 N379 L384 W385 D386 G438 M439 | Q378-R382 WeakPolarHBondContact O-CB 3.39Å; Q378-R382 PolarHBondContact O-N 3.39Å; N379-R382 PolarHBondContact O-N 2.94Å; R382-L384 VanDerWaalsContact C-N 3.3Å; R382-L384 PolarHBondContact O-N 3.38Å; R382-W385 WeakPolarHBondContact O-CB 3.02Å; R382-W385 PolarHBondContact O-N 2.04Å; R382-D386 IonicContact CZ-OD1 3.32Å; R382-D386 VanDerWaalsContact CZ-OD1 3.32Å; R382-D386 IonicContact CZ-OD2 3.81Å; R382-D386 IonicContact NE-OD1 3.22Å; R382-D386 PolarHBondContact NE-OD1 3.1Å; R382-D386 IonicContact NE-OD2 2.98Å; R382-D386 PolarHBondContact NE-OD2 2.5Å; R382-D386 IonicContact NH2-OD1 3.65Å; R382-D386 PolarHBondContact NH2-OD1 3.16Å; R382-D386 IonicContact NH2-OD2 2.78Å; R382-D386 PolarHBondContact O-N 2.78Å; R382-G438 PolarHBondContact NH1-O 3Å; R382-M439 HydrophobicContact CB-SD 4.07Å |
| 383 | K | 88.9 | Confident | 87 | Confident | 158 Ų | 158 | 74 Ų | 74 | 69% | 0.687 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -57.1 | -44.3 | 176 | -73.9 | 177.5 | -179.3 | 179.1 | 0 | 111.7 | N379 P380 S387 | N379-K383 WeakPolarHBondContact O-CG 3.25Å; N379-K383 PolarHBondContact O-N 3.47Å; P380-K383 PolarHBondContact O-N 3.05Å; K383-S387 WeakPolarHBondContact O-CB 3.16Å; K383-S387 PolarHBondContact O-N 3.43Å |
| 384 | L | 87.4 | Confident | 86.2 | Confident | 48 Ų | 48 | 73.7 Ų | 73.7 | 25% | 0.251 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.2 | -39.7 | 177.9 | -176.3 | 66.1 | 0 | 0 | 0 | 112.4 | V326 L327 P380 Y381 R382 K388 | V326-L384 HydrophobicContact CG1-CD2 3.22Å; L327-L384 HydrophobicContact CD2-CD2 3.95Å; P380-L384 WeakPolarHBondContact O-CB 3.24Å; P380-L384 PolarHBondContact O-N 3.35Å; Y381-L384 PolarHBondContact O-N 3.05Å; R382-L384 VanDerWaalsContact C-N 3.3Å; R382-L384 PolarHBondContact O-N 3.38Å; L384-K388 HydrophobicContact CG-CD 4.48Å; L384-K388 WeakPolarHBondContact O-CB 3.45Å; L384-K388 WeakPolarHBondContact O-CG 3.14Å; L384-K388 PolarHBondContact O-N 2.68Å |
| 385 | W | 85.9 | Confident | 85.2 | Confident | 17 Ų | 17 | 78.3 Ų | 78.3 | 6% | 0.064 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -61.1 | -54.2 | 175.2 | 171.9 | -94.6 | 0 | 0 | 0 | 111.3 | Y381 R382 S387 K388 V389 L396 I400 W406 G438 M439 H440 | Y381-W385 WeakPolarHBondContact O-CB 3.38Å; Y381-W385 PolarHBondContact O-N 3.36Å; R382-W385 WeakPolarHBondContact O-CB 3.02Å; R382-W385 PolarHBondContact O-N 2.04Å; W385-S387 VanDerWaalsContact C-N 3.28Å; W385-S387 PolarHBondContact O-N 2.93Å; W385-K388 PolarHBondContact O-N 3.28Å; W385-K388 VanDerWaalsContact O-N 3.13Å; W385-V389 HydrophobicContact CD2-CG2 4.1Å; W385-V389 HydrophobicContact CG-CG2 4.42Å; W385-V389 HydrophobicContact CZ2-CG2 4.05Å; W385-V389 WeakPolarHBondContact O-CG2 3.24Å; W385-V389 PolarHBondContact O-N 2.92Å; W385-L396 HydrophobicContact CD2-CD2 4.26Å; W385-L396 HydrophobicContact CE3-CD1 4.43Å; W385-L396 HydrophobicContact CE3-CD2 3.51Å; W385-L396 HydrophobicContact CH2-CD1 4.24Å; W385-L396 HydrophobicContact CH2-CD2 4.34Å; W385-L396 HydrophobicContact CZ3-CD1 3.68Å; W385-L396 HydrophobicContact CZ3-CD2 3.58Å; W385-L396 HydrophobicContact CZ3-CG 4.15Å; W385-I400 HydrophobicContact CH2-CD1 4.13Å; W385-I400 HydrophobicContact CZ2-CD1 4.34Å; W385-W406 AromaticContact CH2-CH2 3.69Å; W385-W406 HydrophobicContact CH2-CH2 3.69Å; W385-W406 HydrophobicContact CH2-CZ2 4.34Å; W385-W406 HydrophobicContact CH2-CZ3 4.41Å; W385-W406 AromaticContact CZ3-CH2 3.99Å; W385-W406 HydrophobicContact CZ3-CH2 3.99Å; W385-G438 PolarHBondContact NE1-O 3.02Å; W385-M439 HydrophobicContact CB-CB 4.23Å; W385-M439 HydrophobicContact CB-CE 4.38Å; W385-M439 HydrophobicContact CD2-CB 3.65Å; W385-M439 HydrophobicContact CE3-CB 4.23Å; W385-M439 HydrophobicContact CG-CB 3.64Å; W385-H440 AromaticContact CE3-CE1 3.67Å; W385-H440 AromaticContact CE3-ND1 3.09Å; W385-H440 HydrophobicContact CZ3-CB 4.39Å; W385-H440 AromaticContact CZ3-ND1 3.4Å; W385-H440 WeakPolarHBondContact CZ3-ND1 3.41Å |
| 386 | D | 87.7 | Confident | 84.4 | Confident | 70 Ų | 70 | 74.5 Ų | 74.5 | 37% | 0.374 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.1 | -39.5 | -177.6 | -67.2 | -32.8 | 0 | 0 | 0 | 111 | R382 V389 A390 | R382-D386 IonicContact CZ-OD1 3.32Å; R382-D386 VanDerWaalsContact CZ-OD1 3.32Å; R382-D386 IonicContact CZ-OD2 3.81Å; R382-D386 IonicContact NE-OD1 3.22Å; R382-D386 PolarHBondContact NE-OD1 3.1Å; R382-D386 IonicContact NE-OD2 2.98Å; R382-D386 PolarHBondContact NE-OD2 2.5Å; R382-D386 IonicContact NH2-OD1 3.65Å; R382-D386 PolarHBondContact NH2-OD1 3.16Å; R382-D386 IonicContact NH2-OD2 2.78Å; R382-D386 PolarHBondContact O-N 2.78Å; D386-V389 PolarHBondContact O-N 3.26Å; D386-A390 WeakPolarHBondContact O-CB 3.32Å; D386-A390 PolarHBondContact O-N 3.43Å |
| 387 | S | 87.3 | Confident | 83.5 | Confident | 78 Ų | 78 | 73.5 Ų | 73.5 | 55% | 0.545 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 173.6 | 172.7 | 0 | 0 | 0 | 0 | 113 | K383 W385 A390 D391 | K383-S387 WeakPolarHBondContact O-CB 3.16Å; K383-S387 PolarHBondContact O-N 3.43Å; W385-S387 VanDerWaalsContact C-N 3.28Å; W385-S387 PolarHBondContact O-N 2.93Å; S387-A390 PolarHBondContact O-N 2.86Å; S387-D391 PolarHBondContact O-N 3.08Å |
| 388 | K | 83.4 | Confident | 82.6 | Confident | 84 Ų | 84 | 70.9 Ų | 70.9 | 37% | 0.365 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -72.5 | -28.7 | 180 | -75.9 | -174.2 | 177.6 | 176.7 | 0 | 113.4 | L384 W385 S394 L396 | L384-K388 HydrophobicContact CG-CD 4.48Å; L384-K388 WeakPolarHBondContact O-CB 3.45Å; L384-K388 WeakPolarHBondContact O-CG 3.14Å; L384-K388 PolarHBondContact O-N 2.68Å; W385-K388 PolarHBondContact O-N 3.28Å; W385-K388 VanDerWaalsContact O-N 3.13Å; K388-S394 WeakPolarHBondContact O-CB 3.45Å; K388-S394 PolarHBondContact O-OG 3.21Å; K388-L396 HydrophobicContact CB-CB 4.32Å; K388-L396 HydrophobicContact CB-CD2 3.73Å; K388-L396 HydrophobicContact CD-CD2 4.45Å |
| 389 | V | 80.1 | Confident | 81.8 | Confident | 61 Ų | 61 | 68.2 Ų | 68.2 | 37% | 0.37 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -72.7 | -37.8 | 174.9 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | W385 D386 D391 L396 I400 | W385-V389 HydrophobicContact CD2-CG2 4.1Å; W385-V389 HydrophobicContact CG-CG2 4.42Å; W385-V389 HydrophobicContact CZ2-CG2 4.05Å; W385-V389 WeakPolarHBondContact O-CG2 3.24Å; W385-V389 PolarHBondContact O-N 2.92Å; D386-V389 PolarHBondContact O-N 3.26Å; V389-D391 VanDerWaalsContact C-N 3.29Å; V389-D391 PolarHBondContact O-N 3.1Å; V389-L396 HydrophobicContact CG2-CD2 4.17Å; V389-I400 HydrophobicContact CG2-CD1 3.93Å |
| 390 | A | 84.1 | Confident | 80.7 | Confident | 81 Ų | 81 | 65.3 Ų | 65.3 | 67% | 0.669 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -66.9 | -28.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D386 S387 P392 | D386-A390 WeakPolarHBondContact O-CB 3.32Å; D386-A390 PolarHBondContact O-N 3.43Å; S387-A390 PolarHBondContact O-N 2.86Å; A390-P392 VanDerWaalsContact O-CD 3.28Å; A390-P392 WeakPolarHBondContact O-CD 3.45Å |
| 391 | D | 83.4 | Confident | 79.4 | Confident | 66 Ų | 66 | 68 Ų | 68 | 35% | 0.353 | 37% | 0.372 | S | S | . | . | trans | -82.8 | 110.3 | 176.1 | 175.6 | 12.8 | 0 | 0 | 0 | 111.9 | S387 V389 S393 S394 S397 | S387-D391 PolarHBondContact O-N 3.08Å; V389-D391 VanDerWaalsContact C-N 3.29Å; V389-D391 PolarHBondContact O-N 3.1Å; D391-S393 VanDerWaalsContact CG-OG 3.29Å; D391-S393 PolarHBondContact O-N 3Å; D391-S393 WeakPolarHBondContact OD1-CB 3.45Å; D391-S393 PolarHBondContact OD1-N 2.93Å; D391-S393 PolarHBondContact OD1-OG 3.04Å; D391-S393 PolarHBondContact OD2-OG 2.86Å; D391-S394 WeakPolarHBondContact O-CB 3.09Å; D391-S394 PolarHBondContact O-N 2.84Å; D391-S394 PolarHBondContact O-OG 2.97Å; D391-S397 WeakPolarHBondContact O-CB 3.04Å | ||
| 392 | P | 77.9 | Confident | 78.1 | Confident | 111 Ų | 111 | 75.7 Ų | 75.7 | 72% | 0.721 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -22.1 | -179.9 | -15.4 | 30.5 | 0 | 0 | 0 | 113.5 | A390 S394 | A390-P392 VanDerWaalsContact O-CD 3.28Å; A390-P392 WeakPolarHBondContact O-CD 3.45Å; P392-S394 VanDerWaalsContact C-N 3.3Å |
| 393 | S | 79.9 | Confident | 76.5 | Confident | 102 Ų | 102 | 78 Ų | 78 | 71% | 0.713 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -10.3 | 179.6 | 75.6 | 0 | 0 | 0 | 0 | 112.8 | D391 | D391-S393 VanDerWaalsContact CG-OG 3.29Å; D391-S393 PolarHBondContact O-N 3Å; D391-S393 WeakPolarHBondContact OD1-CB 3.45Å; D391-S393 PolarHBondContact OD1-N 2.93Å; D391-S393 PolarHBondContact OD1-OG 3.04Å; D391-S393 PolarHBondContact OD2-OG 2.86Å |
| 394 | S | 77.4 | Confident | 75 | Confident | 13 Ų | 13 | 72.1 Ų | 72.1 | 9% | 0.091 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -68.5 | 142.6 | -176.1 | 95.5 | 0 | 0 | 0 | 0 | 111.4 | K388 D391 P392 L396 S397 S398 | K388-S394 WeakPolarHBondContact O-CB 3.45Å; K388-S394 PolarHBondContact O-OG 3.21Å; D391-S394 WeakPolarHBondContact O-CB 3.09Å; D391-S394 PolarHBondContact O-N 2.84Å; D391-S394 PolarHBondContact O-OG 2.97Å; P392-S394 VanDerWaalsContact C-N 3.3Å; S394-L396 PolarHBondContact O-N 3.12Å; S394-L396 PolarHBondContact OG-N 2.03Å; S394-S397 PolarHBondContact O-N 3.05Å; S394-S397 VanDerWaalsContact O-N 3.11Å; S394-S397 WeakPolarHBondContact OG-CB 3.23Å; S394-S397 PolarHBondContact OG-N 3.15Å; S394-S398 PolarHBondContact O-N 3.26Å |
| 395 | R | 74.4 | Confident | 73.7 | Confident | 171 Ų | 171 | 75.5 Ų | 75.5 | 65% | 0.645 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -56 | -35 | 174.8 | -175.2 | 175.6 | 177.2 | 174.9 | 1.4 | 111.6 | S398 Q399 | R395-S398 PolarHBondContact O-N 2.81Å; R395-S398 PolarHBondContact O-OG 3.23Å; R395-Q399 WeakPolarHBondContact O-CB 3.38Å; R395-Q399 VanDerWaalsContact O-CG 3.3Å; R395-Q399 WeakPolarHBondContact O-CG 3.47Å; R395-Q399 PolarHBondContact O-N 3.16Å |
| 396 | L | 73.6 | Confident | 73 | Confident | 22 Ų | 22 | 74.9 Ų | 74.9 | 12% | 0.115 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -66.3 | -48.2 | 177.3 | 178.7 | 66.1 | 0 | 0 | 0 | 111 | W385 K388 V389 S394 S398 Q399 I400 | W385-L396 HydrophobicContact CD2-CD2 4.26Å; W385-L396 HydrophobicContact CE3-CD1 4.43Å; W385-L396 HydrophobicContact CE3-CD2 3.51Å; W385-L396 HydrophobicContact CH2-CD1 4.24Å; W385-L396 HydrophobicContact CH2-CD2 4.34Å; W385-L396 HydrophobicContact CZ3-CD1 3.68Å; W385-L396 HydrophobicContact CZ3-CD2 3.58Å; W385-L396 HydrophobicContact CZ3-CG 4.15Å; K388-L396 HydrophobicContact CB-CB 4.32Å; K388-L396 HydrophobicContact CB-CD2 3.73Å; K388-L396 HydrophobicContact CD-CD2 4.45Å; V389-L396 HydrophobicContact CG2-CD2 4.17Å; S394-L396 PolarHBondContact O-N 3.12Å; S394-L396 PolarHBondContact OG-N 2.03Å; L396-S398 VanDerWaalsContact C-N 3.29Å; L396-S398 PolarHBondContact O-N 3.48Å; L396-Q399 PolarHBondContact O-N 2.82Å; L396-Q399 VanDerWaalsContact O-N 3.08Å; L396-I400 HydrophobicContact CD1-CD1 4.18Å; L396-I400 HydrophobicContact CD1-CG1 4.4Å; L396-I400 HydrophobicContact CD2-CD1 4.5Å; L396-I400 HydrophobicContact CG-CD1 3.88Å; L396-I400 HydrophobicContact CG-CG1 4.49Å; L396-I400 VanDerWaalsContact O-CG1 3.28Å; L396-I400 WeakPolarHBondContact O-CG1 3.17Å; L396-I400 PolarHBondContact O-N 3.05Å |
| 397 | S | 70.6 | Confident | 72.6 | Confident | 18 Ų | 18 | 71.6 Ų | 71.6 | 13% | 0.126 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -58 | -44.8 | 175.8 | -166.2 | 0 | 0 | 0 | 0 | 110.3 | D391 S394 Q399 I400 T401 | D391-S397 WeakPolarHBondContact O-CB 3.04Å; S394-S397 PolarHBondContact O-N 3.05Å; S394-S397 VanDerWaalsContact O-N 3.11Å; S394-S397 WeakPolarHBondContact OG-CB 3.23Å; S394-S397 PolarHBondContact OG-N 3.15Å; S397-Q399 VanDerWaalsContact C-N 3.34Å; S397-Q399 PolarHBondContact O-N 2.89Å; S397-I400 PolarHBondContact O-N 3.12Å; S397-T401 PolarHBondContact O-N 2.99Å; S397-T401 PolarHBondContact O-OG1 2.77Å |
| 398 | S | 69.1 | Low | 72.2 | Confident | 41 Ų | 41 | 71.3 Ų | 71.3 | 29% | 0.287 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61 | -36 | 174.4 | 84.9 | 0 | 0 | 0 | 0 | 114.1 | S394 R395 L396 K402 | S394-S398 PolarHBondContact O-N 3.26Å; R395-S398 PolarHBondContact O-N 2.81Å; R395-S398 PolarHBondContact O-OG 3.23Å; L396-S398 VanDerWaalsContact C-N 3.29Å; L396-S398 PolarHBondContact O-N 3.48Å; S398-K402 VanDerWaalsContact O-CB 3.3Å; S398-K402 WeakPolarHBondContact O-CB 3.4Å; S398-K402 WeakPolarHBondContact O-CD 3.23Å; S398-K402 WeakPolarHBondContact O-CG 3.5Å; S398-K402 PolarHBondContact O-N 2.74Å; S398-K402 VanDerWaalsContact O-N 3.08Å |
| 399 | Q | 68.9 | Low | 72.3 | Confident | 51 Ų | 51 | 72.1 Ų | 72.1 | 24% | 0.238 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -74 | -36.3 | 178.3 | -78 | 174.7 | -50.1 | 0 | 0 | 111.8 | R395 L396 S397 A404 | R395-Q399 WeakPolarHBondContact O-CB 3.38Å; R395-Q399 VanDerWaalsContact O-CG 3.3Å; R395-Q399 WeakPolarHBondContact O-CG 3.47Å; R395-Q399 PolarHBondContact O-N 3.16Å; L396-Q399 PolarHBondContact O-N 2.82Å; L396-Q399 VanDerWaalsContact O-N 3.08Å; S397-Q399 VanDerWaalsContact C-N 3.34Å; S397-Q399 PolarHBondContact O-N 2.89Å; Q399-A404 VanDerWaalsContact O-CB 3.32Å; Q399-A404 WeakPolarHBondContact O-CB 3.43Å; Q399-A404 PolarHBondContact O-N 3.01Å |
| 400 | I | 66.3 | Low | 72.7 | Confident | 39 Ų | 39 | 69.2 Ų | 69.2 | 20% | 0.2 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.7 | -50.2 | 173 | -69.2 | 168.5 | 0 | 0 | 0 | 109.6 | W385 V389 L396 S397 K402 K403 W406 P434 | W385-I400 HydrophobicContact CH2-CD1 4.13Å; W385-I400 HydrophobicContact CZ2-CD1 4.34Å; V389-I400 HydrophobicContact CG2-CD1 3.93Å; L396-I400 HydrophobicContact CD1-CD1 4.18Å; L396-I400 HydrophobicContact CD1-CG1 4.4Å; L396-I400 HydrophobicContact CD2-CD1 4.5Å; L396-I400 HydrophobicContact CG-CD1 3.88Å; L396-I400 HydrophobicContact CG-CG1 4.49Å; L396-I400 VanDerWaalsContact O-CG1 3.28Å; L396-I400 WeakPolarHBondContact O-CG1 3.17Å; L396-I400 PolarHBondContact O-N 3.05Å; S397-I400 PolarHBondContact O-N 3.12Å; I400-K402 VanDerWaalsContact C-N 3.31Å; I400-K402 PolarHBondContact O-N 3.24Å; I400-K403 PolarHBondContact O-N 2.86Å; I400-W406 HydrophobicContact CG1-CZ2 4.5Å; I400-P434 HydrophobicContact CB-CG 4.23Å; I400-P434 HydrophobicContact CG1-CG 3.88Å; I400-P434 HydrophobicContact CG2-CG 3.8Å |
| 401 | T | 63.2 | Low | 73 | Confident | 111 Ų | 111 | 68.7 Ų | 68.7 | 68% | 0.681 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -66.3 | -30.6 | -179 | -44.2 | 0 | 0 | 0 | 0 | 113 | S397 K403 | S397-T401 PolarHBondContact O-N 2.99Å; S397-T401 PolarHBondContact O-OG1 2.77Å; T401-K403 PolarHBondContact O-N 2.76Å |
| 402 | K | 61.6 | Low | 73.5 | Confident | 165 Ų | 165 | 65.8 Ų | 65.8 | 72% | 0.717 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 8.3 | 176.8 | -75.1 | 174.7 | -178 | 179.7 | 0 | 114.4 | S398 I400 A404 | S398-K402 VanDerWaalsContact O-CB 3.3Å; S398-K402 WeakPolarHBondContact O-CB 3.4Å; S398-K402 WeakPolarHBondContact O-CD 3.23Å; S398-K402 WeakPolarHBondContact O-CG 3.5Å; S398-K402 PolarHBondContact O-N 2.74Å; S398-K402 VanDerWaalsContact O-N 3.08Å; I400-K402 VanDerWaalsContact C-N 3.31Å; I400-K402 PolarHBondContact O-N 3.24Å; K402-A404 PolarHBondContact O-N 3.08Å |
| 403 | K | 56.3 | Low | 74.1 | Confident | 132 Ų | 132 | 67.2 Ų | 67.2 | 57% | 0.574 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 37.8 | -178.3 | -57.1 | -174.4 | 176.5 | -170.2 | 0 | 112.9 | I400 T401 Y405 | I400-K403 PolarHBondContact O-N 2.86Å; T401-K403 PolarHBondContact O-N 2.76Å; K403-Y405 VanDerWaalsContact C-N 3.35Å; K403-Y405 PolarHBondContact O-N 3.42Å |
| 404 | A | 55.6 | Low | 74.5 | Confident | 33 Ų | 33 | 62.9 Ų | 62.9 | 27% | 0.273 | 30% | 0.302 | S | S | . | . | trans | -74.4 | 85.2 | -174 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q399 K402 W406 | Q399-A404 VanDerWaalsContact O-CB 3.32Å; Q399-A404 WeakPolarHBondContact O-CB 3.43Å; Q399-A404 PolarHBondContact O-N 3.01Å; K402-A404 PolarHBondContact O-N 3.08Å; A404-W406 PolarHBondContact O-N 2.92Å; A404-W406 PolarHBondContact O-NE1 3.05Å; A404-W406 VanDerWaalsContact O-NE1 3.08Å | ||
| 405 | Y | 61.1 | Low | 75.1 | Confident | 119 Ų | 119 | 64.4 Ų | 64.4 | 47% | 0.467 | 31% | 0.309 | S | S | . | . | trans | 40.3 | 82.6 | 143.4 | -64.7 | -58.4 | 0 | 0 | 0 | 116.4 | K347 R349 K403 | K347-Y405 HydrophobicContact CD-CD2 4.42Å; K347-Y405 HydrophobicContact CD-CE2 4.4Å; R349-Y405 WeakPolarHBondContact CB-O 3.33Å; R349-Y405 WeakPolarHBondContact CD-O 3.34Å; R349-Y405 WeakPolarHBondContact CG-O 3.47Å; R349-Y405 VanDerWaalsContact CZ-CD1 3.42Å; R349-Y405 VanDerWaalsContact NH2-CD1 3.26Å; K403-Y405 VanDerWaalsContact C-N 3.35Å; K403-Y405 PolarHBondContact O-N 3.42Å | ||
| 406 | W | 71.4 | Confident | 75.9 | Confident | 5 Ų | 5 | 57.4 Ų | 57.4 | 2% | 0.019 | 28% | 0.284 | C | S | . | . | trans | -103.6 | 154.6 | 177.5 | -69.4 | 70.8 | 0 | 0 | 0 | 111.5 | H350 W385 I400 A404 S427 P434 H440 | H350-W406 HydrophobicContact CB-CD2 3.96Å; H350-W406 HydrophobicContact CB-CE3 3.43Å; H350-W406 VanDerWaalsContact CB-CE3 3.43Å; H350-W406 HydrophobicContact CB-CH2 3.52Å; H350-W406 HydrophobicContact CB-CZ2 4.04Å; H350-W406 HydrophobicContact CB-CZ3 3.2Å; H350-W406 AromaticContact CG-CH2 3.92Å; W385-W406 AromaticContact CH2-CH2 3.69Å; W385-W406 HydrophobicContact CH2-CH2 3.69Å; W385-W406 HydrophobicContact CH2-CZ2 4.34Å; W385-W406 HydrophobicContact CH2-CZ3 4.41Å; W385-W406 AromaticContact CZ3-CH2 3.99Å; W385-W406 HydrophobicContact CZ3-CH2 3.99Å; I400-W406 HydrophobicContact CG1-CZ2 4.5Å; A404-W406 PolarHBondContact O-N 2.92Å; A404-W406 PolarHBondContact O-NE1 3.05Å; A404-W406 VanDerWaalsContact O-NE1 3.08Å; W406-S427 PolarHBondContact N-OG 3.22Å; W406-S427 PolarHBondContact O-N 3.31Å; W406-S427 PolarHBondContact O-OG 2.64Å; W406-S427 VanDerWaalsContact O-OG 3.1Å; W406-P434 HydrophobicContact CB-CB 4.43Å; W406-P434 HydrophobicContact CD2-CB 3.55Å; W406-P434 HydrophobicContact CE3-CB 4.4Å; W406-P434 HydrophobicContact CG-CB 3.49Å; W406-P434 VanDerWaalsContact CG-CB 3.49Å; W406-P434 HydrophobicContact CZ2-CB 4.09Å; W406-P434 HydrophobicContact CZ2-CG 4.28Å; W406-H440 HydrophobicContact CZ3-CB 4.39Å | ||
| 407 | V | 79.3 | Confident | 76.7 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 113.5 | 161.1 | -169.5 | 0 | 0 | 0 | 0 | 107.1 | L318 V342 R349 H350 V351 C352 V410 L426 | L318-V407 HydrophobicContact CD1-CG1 4.27Å; L318-V407 HydrophobicContact CD2-CG2 4.36Å; V342-V407 HydrophobicContact CG2-CG2 3.52Å; R349-V407 HydrophobicContact CB-CG2 4.44Å; H350-V407 PolarHBondContact O-N 2.98Å; V351-V407 HydrophobicContact CG1-CB 4.43Å; V351-V407 HydrophobicContact CG2-CB 4.25Å; V351-V407 HydrophobicContact CG2-CG2 4.47Å; C352-V407 PolarHBondContact N-O 2.82Å; V407-V410 HydrophobicContact CB-CG2 4.41Å; V407-V410 HydrophobicContact CG1-CG2 3.4Å; V407-L426 HydrophobicContact CG2-CD2 4.06Å |
| 408 | E | 79.4 | Confident | 77.7 | Confident | 72 Ų | 72 | 57.2 Ų | 57.2 | 34% | 0.336 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | -40.1 | -170.4 | -177.8 | 168.5 | -168.3 | 0 | 0 | 111.6 | C352 Q425 | C352-E408 WeakPolarHBondContact CB-O 3.43Å; E408-Q425 PolarHBondContact N-O 2.86Å |
| 409 | K | 84.3 | Confident | 78.8 | Confident | 101 Ų | 101 | 55.3 Ų | 55.3 | 44% | 0.439 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 136.1 | 179 | -167.5 | 176.3 | 180 | -177.5 | 0 | 110.4 | A424 Q425 | K409-A424 CarbonylContact O-C 3.55Å; K409-A424 VanDerWaalsContact O-CA 3.32Å; K409-A424 WeakPolarHBondContact O-CA 3.21Å; K409-Q425 HydrophobicContact CB-CB 4.23Å; K409-Q425 PolarHBondContact N-O 3.41Å; K409-Q425 PolarHBondContact O-N 2.89Å |
| 410 | V | 89.1 | Confident | 79.8 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 124.1 | 169.2 | 179.9 | 0 | 0 | 0 | 0 | 106.9 | L318 V351 W356 V407 L419 C422 A424 | L318-V410 HydrophobicContact CD1-CG2 4.05Å; V351-V410 HydrophobicContact CG1-CB 4.49Å; V351-V410 HydrophobicContact CG1-CG2 3.95Å; W356-V410 HydrophobicContact CE3-CB 4.16Å; W356-V410 HydrophobicContact CZ3-CB 3.75Å; W356-V410 HydrophobicContact CZ3-CG1 3.92Å; W356-V410 HydrophobicContact CZ3-CG2 4.34Å; V407-V410 HydrophobicContact CB-CG2 4.41Å; V407-V410 HydrophobicContact CG1-CG2 3.4Å; V410-L419 HydrophobicContact CG1-CD2 3.94Å; V410-C422 HydrophobicContact CG1-CB 4.3Å; V410-A424 HydrophobicContact CG2-CB 4.24Å |
| 411 | Q | 90.5 | Very high | 81 | Confident | 69 Ų | 69 | 55.8 Ų | 55.8 | 32% | 0.322 | 27% | 0.274 | S | S | . | . | trans | -129.5 | 114.3 | -179.9 | -174.8 | 70.5 | 56.6 | 0 | 0 | 109 | G355 D357 P423 | G355-Q411 PolarHBondContact O-OE1 3Å; G355-Q411 VanDerWaalsContact O-OE1 3.05Å; D357-Q411 PolarHBondContact OD2-NE2 2.92Å; Q411-P423 PolarHBondContact N-O 2.71Å; Q411-P423 VanDerWaalsContact N-O 3.08Å; Q411-P423 VanDerWaalsContact O-CD 3.29Å; Q411-P423 WeakPolarHBondContact O-CD 3.26Å | ||
| 412 | C | 92.8 | Very high | 82.3 | Confident | 5 Ų | 5 | 50.8 Ų | 50.8 | 3% | 0.034 | 24% | 0.244 | C | C | . | . | trans | -106.1 | 157.2 | 174 | -56.7 | 0 | 0 | 0 | 0 | 110.9 | S360 V363 C422 | S360-C412 PolarHBondContact OG-N 2.84Å; S360-C412 VanDerWaalsContact OG-N 3.1Å; V363-C412 HydrophobicContact CB-CB 4.49Å; V363-C412 HydrophobicContact CG2-CB 3.72Å; C412-C422 HydrophobicContact CB-CB 4.07Å; C412-C422 WeakPolarHBondContact CB-SG 3.09Å; C412-C422 WeakPolarHBondContact SG-CB 3.49Å; C412-C422 CovalentContact SG-SG 2.04Å; C412-C422 PolarHBondContact SG-SG 2.93Å | ||
| 413 | Q | 91.7 | Very high | 83.6 | Confident | 142 Ų | 142 | 47.3 Ų | 47.3 | 66% | 0.664 | 24% | 0.238 | S | C | * | . | trans | -81.8 | -18.1 | 168.9 | -60.3 | -175.6 | -3.7 | 0 | 0 | 112.2 | E416 | Q413-E416 VanDerWaalsContact N-CD 3.31Å; Q413-E416 PolarHBondContact N-OE1 2.93Å; Q413-E416 PolarHBondContact N-OE2 3.06Å | ||
| 414 | G | 88.5 | Confident | 85.1 | Confident | 10 Ų | 10 | 42.3 Ų | 42.3 | 10% | 0.103 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 88.7 | 5.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114 | R362 E416 | R362-G414 WeakPolarHBondContact CD-O 3.28Å; R362-G414 PolarHBondContact NE-O 3.4Å; G414-E416 PolarHBondContact N-OE2 3.02Å |
| 415 | L | 88.4 | Confident | 86.5 | Confident | 45 Ų | 45 | 45.2 Ų | 45.2 | 24% | 0.236 | 23% | 0.229 | C | C | . | . | trans | -99.6 | -23.4 | 176 | -62 | -177.9 | 0 | 0 | 0 | 112 | R539 | L415-R539 HydrophobicContact CD2-CG 3.25Š| ||
| 416 | E | 92.6 | Very high | 87.4 | Confident | 25 Ų | 25 | 41.4 Ų | 41.4 | 12% | 0.117 | 22% | 0.217 | C | C | . | . | trans | -62.6 | 139.6 | -177.5 | -58.3 | 91.2 | 153.2 | 0 | 0 | 110.7 | V363 Q413 G414 S418 Q421 | V363-E416 HydrophobicContact CG1-CB 4.29Å; V363-E416 HydrophobicContact CG2-CB 4.09Å; Q413-E416 VanDerWaalsContact N-CD 3.31Å; Q413-E416 PolarHBondContact N-OE1 2.93Å; Q413-E416 PolarHBondContact N-OE2 3.06Å; G414-E416 PolarHBondContact N-OE2 3.02Å; E416-S418 VanDerWaalsContact C-N 3.31Å; E416-Q421 HydrophobicContact CB-CB 4.01Å; E416-Q421 HydrophobicContact CG-CB 3.92Å | ||
| 417 | V | 90.8 | Very high | 87.4 | Confident | 11 Ų | 11 | 42.6 Ų | 42.6 | 7% | 0.067 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -80.4 | -18.7 | 177.5 | -59 | 0 | 0 | 0 | 0 | 112.4 | Q421 L498 S502 S512 | V417-Q421 VanDerWaalsContact CG2-NE2 3.28Å; V417-L498 HydrophobicContact CG1-CB 4.29Å; V417-L498 HydrophobicContact CG2-CB 4.38Å; V417-L498 HydrophobicContact CG2-CD1 4.31Å; V417-S502 WeakPolarHBondContact CG1-OG 3.07Å; V417-S512 WeakPolarHBondContact O-CB 2.96Å; V417-S512 PolarHBondContact O-OG 2.82Å |
| 418 | S | 91.8 | Very high | 86.7 | Confident | 24 Ų | 24 | 48.2 Ų | 48.2 | 17% | 0.168 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -149.8 | 148.6 | -177.3 | 174.6 | 0 | 0 | 0 | 0 | 112.2 | M367 E416 A420 Q421 | M367-S418 WeakPolarHBondContact CE-OG 3.27Å; E416-S418 VanDerWaalsContact C-N 3.31Å; S418-A420 PolarHBondContact O-N 3.33Å; S418-A420 VanDerWaalsContact O-N 3.16Å; S418-A420 PolarHBondContact OG-N 3.2Å; S418-Q421 WeakPolarHBondContact O-CB 3.33Å; S418-Q421 PolarHBondContact O-N 3.32Å |
| 419 | L | 92 | Very high | 85.6 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -57.7 | -24.5 | 173.1 | -77.7 | -172.6 | 0 | 0 | 0 | 113 | L318 V342 W356 V363 V364 M367 V410 Q421 C422 | L318-L419 HydrophobicContact CB-CB 4.01Å; L318-L419 WeakPolarHBondContact O-CB 3.49Å; V342-L419 HydrophobicContact CG1-CD1 3.75Å; W356-L419 HydrophobicContact CH2-CD2 4.42Å; V363-L419 HydrophobicContact CG1-CD2 4.14Å; V363-L419 HydrophobicContact CG1-CG 4.46Å; V364-L419 HydrophobicContact CG2-CD1 3.66Å; V364-L419 HydrophobicContact CG2-CD2 3.72Å; V364-L419 HydrophobicContact CG2-CG 3.79Å; M367-L419 HydrophobicContact CE-CB 4.46Å; M367-L419 HydrophobicContact SD-CB 3.8Å; M367-L419 HydrophobicContact SD-CD1 4.43Å; M367-L419 HydrophobicContact SD-CG 3.71Å; M367-L419 PolarHBondContact SD-N 2.92Å; V410-L419 HydrophobicContact CG1-CD2 3.94Å; L419-Q421 PolarHBondContact O-N 2.81Å; L419-C422 WeakPolarHBondContact O-CB 3.49Å; L419-C422 PolarHBondContact O-N 3.36Å |
| 420 | A | 89.2 | Confident | 84.1 | Confident | 17 Ų | 17 | 56.2 Ų | 56.2 | 14% | 0.14 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -62.2 | -20.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L318 E319 S418 | L318-A420 PolarHBondContact O-N 3.13Å; E319-A420 HydrophobicContact CG-CB 4.41Å; S418-A420 PolarHBondContact O-N 3.33Å; S418-A420 VanDerWaalsContact O-N 3.16Å; S418-A420 PolarHBondContact OG-N 3.2Å |
| 421 | Q | 90.8 | Very high | 82.5 | Confident | 83 Ų | 83 | 58.2 Ų | 58.2 | 39% | 0.388 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -88.3 | -17.7 | 176.2 | -62 | 173.2 | 0.1 | 0 | 0 | 112.3 | E416 V417 S418 L419 | E416-Q421 HydrophobicContact CB-CB 4.01Å; E416-Q421 HydrophobicContact CG-CB 3.92Å; V417-Q421 VanDerWaalsContact CG2-NE2 3.28Å; S418-Q421 WeakPolarHBondContact O-CB 3.33Å; S418-Q421 PolarHBondContact O-N 3.32Å; L419-Q421 PolarHBondContact O-N 2.81Å |
| 422 | C | 90.8 | Very high | 80.8 | Confident | 6 Ų | 6 | 61.2 Ų | 61.2 | 4% | 0.041 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -81.1 | 140 | -178.9 | -54.7 | 0 | 0 | 0 | 0 | 111.7 | V410 C412 L419 A424 | V410-C422 HydrophobicContact CG1-CB 4.3Å; C412-C422 HydrophobicContact CB-CB 4.07Å; C412-C422 WeakPolarHBondContact CB-SG 3.09Å; C412-C422 WeakPolarHBondContact SG-CB 3.49Å; C412-C422 CovalentContact SG-SG 2.04Å; C412-C422 PolarHBondContact SG-SG 2.93Å; L419-C422 WeakPolarHBondContact O-CB 3.49Å; L419-C422 PolarHBondContact O-N 3.36Å; C422-A424 PolarHBondContact O-N 2.81Å |
| 423 | P | 90.3 | Very high | 79.4 | Confident | 93 Ų | 93 | 64.1 Ų | 64.1 | 60% | 0.604 | 34% | 0.343 | S | S | * | . | trans | -53.7 | 120.5 | 165.7 | -27.5 | 33 | 0 | 0 | 0 | 112.2 | Q411 | Q411-P423 PolarHBondContact N-O 2.71Å; Q411-P423 VanDerWaalsContact N-O 3.08Å; Q411-P423 VanDerWaalsContact O-CD 3.29Å; Q411-P423 WeakPolarHBondContact O-CD 3.26Å | ||
| 424 | A | 87.8 | Confident | 78 | Confident | 27 Ų | 27 | 58.3 Ų | 58.3 | 22% | 0.223 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 146 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I316 L318 K409 V410 C422 | I316-A424 HydrophobicContact CB-CB 4.42Å; I316-A424 VanDerWaalsContact CD1-O 3.26Å; I316-A424 WeakPolarHBondContact CD1-O 3.06Å; I316-A424 HydrophobicContact CG2-CB 4.39Å; L318-A424 HydrophobicContact CD1-CB 3.88Å; K409-A424 CarbonylContact O-C 3.55Å; K409-A424 VanDerWaalsContact O-CA 3.32Å; K409-A424 WeakPolarHBondContact O-CA 3.21Å; V410-A424 HydrophobicContact CG2-CB 4.24Å; C422-A424 PolarHBondContact O-N 2.81Å |
| 425 | Q | 84.6 | Confident | 77.4 | Confident | 93 Ų | 93 | 58.3 Ų | 58.3 | 44% | 0.435 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 126.7 | 176.1 | -177.1 | 179.5 | -10.8 | 0 | 0 | 109.6 | E408 K409 | E408-Q425 PolarHBondContact N-O 2.86Å; K409-Q425 HydrophobicContact CB-CB 4.23Å; K409-Q425 PolarHBondContact N-O 3.41Å; K409-Q425 PolarHBondContact O-N 2.89Å |
| 426 | L | 79.3 | Confident | 76.7 | Confident | 40 Ų | 40 | 64.7 Ų | 64.7 | 21% | 0.209 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 147.8 | 174 | -69.4 | 170.8 | 0 | 0 | 0 | 110.9 | I316 H344 V407 L428 | I316-L426 HydrophobicContact CD1-CB 4.14Å; I316-L426 HydrophobicContact CD1-CD1 3.94Å; I316-L426 HydrophobicContact CD1-CG 3.59Å; I316-L426 HydrophobicContact CG1-CD1 3.84Å; I316-L426 HydrophobicContact CG1-CG 3.98Å; I316-L426 HydrophobicContact CG2-CD1 4.18Å; I316-L426 HydrophobicContact CG2-CD2 4.31Å; I316-L426 HydrophobicContact CG2-CG 4.08Å; H344-L426 WeakPolarHBondContact NE2-CD1 3.36Å; V407-L426 HydrophobicContact CG2-CD2 4.06Å; L426-L428 PolarHBondContact O-N 2.85Å |
| 427 | S | 71.2 | Confident | 76 | Confident | 29 Ų | 29 | 66.5 Ų | 66.5 | 20% | 0.203 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 128.1 | 174.4 | 62.1 | 0 | 0 | 0 | 0 | 111 | W406 | W406-S427 PolarHBondContact N-OG 3.22Å; W406-S427 PolarHBondContact O-N 3.31Å; W406-S427 PolarHBondContact O-OG 2.64Å; W406-S427 VanDerWaalsContact O-OG 3.1Å |
| 428 | L | 64.5 | Low | 75.7 | Confident | 119 Ų | 119 | 66.1 Ų | 66.1 | 62% | 0.623 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 134.6 | 171.5 | -71.6 | 167.4 | 0 | 0 | 0 | 110.3 | L426 R430 S431 | L426-L428 PolarHBondContact O-N 2.85Å; L428-R430 PolarHBondContact O-N 2.99Å; L428-S431 PolarHBondContact O-N 3.36Å; L428-S431 VanDerWaalsContact O-N 3.11Å |
| 429 | P | 56.3 | Low | 75.5 | Confident | 109 Ų | 109 | 65.2 Ų | 65.2 | 71% | 0.708 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -13.1 | -178.9 | -25.5 | 33.2 | 0 | 0 | 0 | 115.7 | ||
| 430 | R | 53.9 | Low | 75.3 | Confident | 232 Ų | 232 | 65.9 Ų | 65.9 | 88% | 0.875 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -1.5 | -176.8 | -65.8 | -176.8 | 176.3 | 167.2 | -0.9 | 114.4 | L428 | L428-R430 PolarHBondContact O-N 2.99Š|
| 431 | S | 55.1 | Low | 75.4 | Confident | 42 Ų | 42 | 65.1 Ų | 65.1 | 29% | 0.294 | 35% | 0.351 | S | S | . | . | trans | -82.4 | 127.4 | 175.5 | 177.5 | 0 | 0 | 0 | 0 | 111.2 | L428 V433 | L428-S431 PolarHBondContact O-N 3.36Å; L428-S431 VanDerWaalsContact O-N 3.11Å; S431-V433 VanDerWaalsContact C-N 3.3Å; S431-V433 PolarHBondContact O-N 2.83Å; S431-V433 PolarHBondContact OG-O 3.32Å | ||
| 432 | D | 55.6 | Low | 75.5 | Confident | 132 Ų | 132 | 61.6 Ų | 61.6 | 71% | 0.706 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -77.2 | -8.9 | -178.1 | -66.6 | -38.6 | 0 | 0 | 0 | 114.5 | ||
| 433 | V | 61.7 | Low | 75.7 | Confident | 66 Ų | 66 | 61.3 Ų | 61.3 | 40% | 0.4 | 33% | 0.333 | S | S | . | . | trans | -134.1 | 123 | -177.4 | -170.7 | 0 | 0 | 0 | 0 | 110.6 | S431 C435 R436 | S431-V433 VanDerWaalsContact C-N 3.3Å; S431-V433 PolarHBondContact O-N 2.83Å; S431-V433 PolarHBondContact OG-O 3.32Å; V433-C435 VanDerWaalsContact C-N 3.34Å; V433-C435 PolarHBondContact O-N 3.39Å; V433-R436 HydrophobicContact CB-CG 3.74Å; V433-R436 HydrophobicContact CG1-CG 4.09Å; V433-R436 HydrophobicContact CG2-CG 4.33Å | ||
| 434 | P | 62.4 | Low | 75.9 | Confident | 21 Ų | 21 | 61.1 Ų | 61.1 | 14% | 0.136 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -71.6 | -19.6 | -171.6 | 18.7 | -26.6 | 0 | 0 | 0 | 116.2 | I400 W406 | I400-P434 HydrophobicContact CB-CG 4.23Å; I400-P434 HydrophobicContact CG1-CG 3.88Å; I400-P434 HydrophobicContact CG2-CG 3.8Å; W406-P434 HydrophobicContact CB-CB 4.43Å; W406-P434 HydrophobicContact CD2-CB 3.55Å; W406-P434 HydrophobicContact CE3-CB 4.4Å; W406-P434 HydrophobicContact CG-CB 3.49Å; W406-P434 VanDerWaalsContact CG-CB 3.49Å; W406-P434 HydrophobicContact CZ2-CB 4.09Å; W406-P434 HydrophobicContact CZ2-CG 4.28Å |
| 435 | C | 76.3 | Confident | 76.2 | Confident | 9 Ų | 9 | 59.9 Ų | 59.9 | 6% | 0.061 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -156.2 | 85 | 173.6 | -175.7 | 0 | 0 | 0 | 0 | 108.2 | C352 V433 G437 G438 M439 | C352-C435 HydrophobicContact CB-CB 3.73Å; C352-C435 WeakPolarHBondContact CB-SG 3.33Å; C352-C435 WeakPolarHBondContact SG-CB 3.44Å; C352-C435 CovalentContact SG-SG 2.04Å; C352-C435 PolarHBondContact SG-SG 2.88Å; V433-C435 VanDerWaalsContact C-N 3.34Å; V433-C435 PolarHBondContact O-N 3.39Å; C435-G437 PolarHBondContact O-N 3.05Å; C435-G437 VanDerWaalsContact O-N 3.13Å; C435-G438 PolarHBondContact O-N 3.32Å; C435-G438 VanDerWaalsContact SG-CA 3.59Å; C435-M439 PolarHBondContact SG-N 2.62Å; C435-M439 PolarHBondContact SG-O 3.4Å; C435-M439 VanDerWaalsContact SG-O 3.33Å |
| 436 | R | 74.8 | Confident | 76.5 | Confident | 179 Ų | 179 | 57.7 Ų | 57.7 | 68% | 0.675 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 118.2 | -173.7 | -80.7 | -171.1 | -171.8 | -151.6 | 1.8 | 111.2 | V433 G438 | V433-R436 HydrophobicContact CB-CG 3.74Å; V433-R436 HydrophobicContact CG1-CG 4.09Å; V433-R436 HydrophobicContact CG2-CG 4.33Å; R436-G438 PolarHBondContact O-N 3.3Å |
| 437 | G | 77.3 | Confident | 77 | Confident | 63 Ų | 63 | 57.3 Ų | 57.3 | 65% | 0.649 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 15.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | K354 C435 | K354-G437 WeakPolarHBondContact CE-O 3.38Å; K354-G437 PolarHBondContact NZ-O 2.81Å; K354-G437 VanDerWaalsContact NZ-O 3.09Å; C435-G437 PolarHBondContact O-N 3.05Å; C435-G437 VanDerWaalsContact O-N 3.13Å |
| 438 | G | 84.7 | Confident | 77.7 | Confident | 4 Ų | 4 | 56.2 Ų | 56.2 | 4% | 0.041 | 30% | 0.296 | C | S | . | . | trans | -122.3 | -161.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N353 R382 W385 C435 R436 | N353-G438 WeakPolarHBondContact OD1-CA 3.39Å; R382-G438 PolarHBondContact NH1-O 3Å; W385-G438 PolarHBondContact NE1-O 3.02Å; C435-G438 PolarHBondContact O-N 3.32Å; C435-G438 VanDerWaalsContact SG-CA 3.59Å; R436-G438 PolarHBondContact O-N 3.3Å | ||
| 439 | M | 87 | Confident | 78.7 | Confident | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.02 | 29% | 0.288 | C | S | . | . | trans | -149.6 | -177.5 | 174.2 | 59.4 | 174.3 | -76.6 | 0 | 0 | 109.5 | N353 R382 W385 C435 V442 | N353-M439 HydrophobicContact CB-CG 4.46Å; N353-M439 WeakPolarHBondContact CB-O 3.28Å; N353-M439 PolarHBondContact N-O 2.79Å; N353-M439 WeakPolarHBondContact ND2-CG 3.41Å; N353-M439 PolarHBondContact OD1-N 3.41Å; N353-M439 PolarHBondContact OD1-O 2.87Å; N353-M439 VanDerWaalsContact OD1-O 3.1Å; R382-M439 HydrophobicContact CB-SD 4.07Å; W385-M439 HydrophobicContact CB-CB 4.23Å; W385-M439 HydrophobicContact CB-CE 4.38Å; W385-M439 HydrophobicContact CD2-CB 3.65Å; W385-M439 HydrophobicContact CE3-CB 4.23Å; W385-M439 HydrophobicContact CG-CB 3.64Å; C435-M439 PolarHBondContact SG-N 2.62Å; C435-M439 PolarHBondContact SG-O 3.4Å; C435-M439 VanDerWaalsContact SG-O 3.33Å; M439-V442 HydrophobicContact CE-CG2 4.17Å | ||
| 440 | H | 88 | Confident | 79.7 | Confident | 16 Ų | 16 | 52 Ų | 52 | 7% | 0.074 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -61.4 | 144 | 172.2 | 54.2 | -97.3 | 0 | 0 | 0 | 111.5 | V339 V351 W385 W406 V442 | V339-H440 HydrophobicContact CG1-CB 3.64Å; V339-H440 VanDerWaalsContact CG1-CD2 3.41Å; V339-H440 WeakPolarHBondContact CG1-CD2 3.45Å; V339-H440 WeakPolarHBondContact CG2-CD2 3.33Å; V339-H440 VanDerWaalsContact CG2-NE2 3.27Å; V339-H440 WeakPolarHBondContact CG2-NE2 3.44Å; V351-H440 CarbonylContact O-C 3.53Å; V351-H440 WeakPolarHBondContact O-CA 3.47Å; W385-H440 AromaticContact CE3-CE1 3.67Å; W385-H440 AromaticContact CE3-ND1 3.09Å; W385-H440 HydrophobicContact CZ3-CB 4.39Å; W385-H440 AromaticContact CZ3-ND1 3.4Å; W385-H440 WeakPolarHBondContact CZ3-ND1 3.41Å; W406-H440 HydrophobicContact CZ3-CB 4.39Å; H440-V442 VanDerWaalsContact CD2-CG2 3.43Å; H440-V442 WeakPolarHBondContact CD2-CG2 3.34Å |
| 441 | A | 91.7 | Very high | 80.8 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -65.2 | 132.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | L340 V351 N353 W356 | L340-A441 HydrophobicContact CB-CB 4.39Å; L340-A441 PolarHBondContact N-O 3.4Å; V351-A441 HydrophobicContact CB-CB 4.12Å; V351-A441 HydrophobicContact CG1-CB 4.28Å; V351-A441 PolarHBondContact O-N 2.83Å; N353-A441 HydrophobicContact CB-CB 4.45Å; W356-A441 HydrophobicContact CB-CB 4.48Å; W356-A441 HydrophobicContact CD2-CB 3.91Å; W356-A441 HydrophobicContact CE3-CB 4.22Å; W356-A441 HydrophobicContact CG-CB 4Å | ||
| 442 | V | 93 | Very high | 81.4 | Confident | 10 Ų | 10 | 45.6 Ų | 45.6 | 6% | 0.061 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 135.1 | 175.3 | 176.7 | 0 | 0 | 0 | 0 | 106.8 | G338 V339 F376 Y381 M439 H440 | G338-V442 WeakPolarHBondContact O-CA 3.12Å; V339-V442 HydrophobicContact CG2-CG2 4.37Å; F376-V442 HydrophobicContact CD2-CG1 4.29Å; F376-V442 HydrophobicContact CE1-CB 4.35Å; F376-V442 HydrophobicContact CE1-CG1 4.14Å; F376-V442 VanDerWaalsContact CE1-O 3.28Å; F376-V442 WeakPolarHBondContact CE1-O 3.44Å; F376-V442 HydrophobicContact CE2-CB 3.76Å; F376-V442 HydrophobicContact CE2-CG1 3.47Å; F376-V442 VanDerWaalsContact CE2-CG1 3.47Å; F376-V442 HydrophobicContact CZ-CB 3.42Å; F376-V442 VanDerWaalsContact CZ-CB 3.42Å; F376-V442 HydrophobicContact CZ-CG1 3.43Å; F376-V442 VanDerWaalsContact CZ-CG1 3.43Å; F376-V442 VanDerWaalsContact CZ-O 3.29Å; F376-V442 WeakPolarHBondContact CZ-O 3.18Å; Y381-V442 HydrophobicContact CD1-CG1 4.18Å; Y381-V442 HydrophobicContact CD1-CG2 3.67Å; Y381-V442 HydrophobicContact CD2-CG1 4.14Å; Y381-V442 HydrophobicContact CD2-CG2 4.46Å; Y381-V442 HydrophobicContact CE1-CG1 3.89Å; Y381-V442 HydrophobicContact CE1-CG2 4.1Å; Y381-V442 HydrophobicContact CE2-CG1 3.84Å; Y381-V442 HydrophobicContact CG-CG1 4.3Å; Y381-V442 HydrophobicContact CG-CG2 3.88Å; M439-V442 HydrophobicContact CE-CG2 4.17Å; H440-V442 VanDerWaalsContact CD2-CG2 3.43Å; H440-V442 WeakPolarHBondContact CD2-CG2 3.34Å |
| 443 | V | 94.6 | Very high | 81.7 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 138.4 | -177.4 | 177.4 | 0 | 0 | 0 | 0 | 108.3 | L323 E337 G338 L340 W356 V364 C365 | L323-V443 HydrophobicContact CD2-CB 3.84Å; L323-V443 HydrophobicContact CD2-CG1 4.47Å; L323-V443 HydrophobicContact CD2-CG2 4.48Å; E337-V443 WeakPolarHBondContact CA-O 3.33Å; G338-V443 PolarHBondContact N-O 3.49Å; G338-V443 VanDerWaalsContact N-O 3.1Å; G338-V443 PolarHBondContact O-N 3.08Å; L340-V443 HydrophobicContact CB-CG2 4.26Å; L340-V443 HydrophobicContact CD2-CG2 4.26Å; W356-V443 HydrophobicContact CZ2-CG2 3.81Å; V364-V443 HydrophobicContact CG1-CG1 4.34Å; V364-V443 HydrophobicContact CG1-CG2 4.45Å; C365-V443 WeakPolarHBondContact SG-CG1 3.39Å |
| 444 | R | 93.7 | Very high | 81.2 | Confident | 88 Ų | 88 | 48.2 Ų | 48.2 | 33% | 0.332 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 117.6 | 175.1 | -171.6 | 176.3 | 174.6 | 154.1 | -24.8 | 109.7 | T336 E337 A373 E374 F376 | T336-R444 CarbonylContact O-C 3.5Å; T336-R444 WeakPolarHBondContact O-CA 3.41Å; E337-R444 HydrophobicContact CB-CG 4.19Å; E337-R444 HydrophobicContact CG-CB 4.06Å; E337-R444 HydrophobicContact CG-CG 4.04Å; E337-R444 WeakPolarHBondContact OE2-CD 3.16Å; E337-R444 IonicContact OE2-CZ 3.83Å; E337-R444 IonicContact OE2-NE 3.1Å; E337-R444 PolarHBondContact OE2-NE 3.48Å; E337-R444 IonicContact OE2-NH1 3.88Å; E337-R444 PolarHBondContact OE2-NH1 3.27Å; A373-R444 WeakPolarHBondContact CA-O 3.15Å; E374-R444 HydrophobicContact CG-CB 4.31Å; E374-R444 HydrophobicContact CG-CG 3.81Å; E374-R444 PolarHBondContact N-O 3.2Å; E374-R444 WeakPolarHBondContact OE1-CD 3.35Å; E374-R444 IonicContact OE1-CZ 2.61Å; E374-R444 VanDerWaalsContact OE1-CZ 3.24Å; E374-R444 IonicContact OE1-NE 3.02Å; E374-R444 PolarHBondContact OE1-NE 3.33Å; E374-R444 IonicContact OE1-NH2 3.03Å; E374-R444 PolarHBondContact OE1-NH2 3.01Å; F376-R444 HydrophobicContact CB-CB 4.39Å; F376-R444 HydrophobicContact CD1-CB 3.73Å; F376-R444 HydrophobicContact CE1-CB 4.49Å; F376-R444 HydrophobicContact CG-CB 4.28Å |
| 445 | C | 94.1 | Very high | 80.4 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.014 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 147.5 | -176.9 | -56.4 | 0 | 0 | 0 | 0 | 111.3 | T336 C365 F370 | T336-C445 PolarHBondContact O-N 2.64Å; C365-C445 WeakPolarHBondContact CA-SG 3.42Å; C365-C445 HydrophobicContact CB-CB 3.82Å; C365-C445 WeakPolarHBondContact CB-SG 3.05Å; C365-C445 WeakPolarHBondContact SG-CA 3.45Å; C365-C445 WeakPolarHBondContact SG-CB 3.4Å; C365-C445 CovalentContact SG-SG 2.04Å; C365-C445 PolarHBondContact SG-SG 3.49Å; F370-C445 HydrophobicContact CB-CB 3.64Å; F370-C445 HydrophobicContact CD1-CB 3.87Å; F370-C445 HydrophobicContact CD2-CB 3.58Å; F370-C445 HydrophobicContact CE1-CB 4.4Å; F370-C445 HydrophobicContact CE2-CB 4.15Å; F370-C445 HydrophobicContact CG-CB 3.42Å; F370-C445 VanDerWaalsContact CG-CB 3.42Å |
| 446 | V | 92.1 | Very high | 79 | Confident | 46 Ų | 46 | 60 Ų | 60 | 28% | 0.279 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 119.6 | 177.9 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | P371 A372 E374 | P371-V446 WeakPolarHBondContact CD-O 3.49Å; A372-V446 HydrophobicContact CB-CB 4.24Å; A372-V446 HydrophobicContact CB-CG2 4.44Å; A372-V446 PolarHBondContact O-N 3.5Å; E374-V446 HydrophobicContact CB-CG2 4Å; E374-V446 HydrophobicContact CG-CG2 3.93Å |
| 447 | P | 89.4 | Confident | 77.5 | Confident | 33 Ų | 33 | 55.3 Ų | 55.3 | 21% | 0.214 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 136.8 | 171.1 | -23 | 34.1 | 0 | 0 | 0 | 111.3 | L334 T336 F370 F451 | L334-P447 HydrophobicContact CD2-CB 4.12Å; L334-P447 HydrophobicContact CD2-CG 4Å; T336-P447 HydrophobicContact CG2-CG 3.58Å; F370-P447 HydrophobicContact CE1-CG 4.46Å; P447-F451 HydrophobicContact CB-CB 4.18Å |
| 448 | G | 86.6 | Confident | 76.2 | Confident | 5 Ų | 5 | 56.2 Ų | 56.2 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 164.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | P450 F451 E452 G509 | G448-P450 VanDerWaalsContact C-N 3.28Å; G448-P450 WeakPolarHBondContact O-CD 3.5Å; G448-P450 VanDerWaalsContact O-N 3.11Å; G448-F451 CarbonylContact O-C 3.34Å; G448-F451 WeakPolarHBondContact O-CA 3.36Å; G448-F451 PolarHBondContact O-N 3Å; G448-E452 PolarHBondContact O-N 2.9Å; G448-E452 VanDerWaalsContact O-N 3.11Å; G448-G509 WeakPolarHBondContact CA-O 3.38Å |
| 449 | F | 83.7 | Confident | 74.1 | Confident | 106 Ų | 106 | 59 Ų | 59 | 47% | 0.465 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -32.8 | -179.4 | 68.6 | -92.9 | 0 | 0 | 0 | 115.3 | F451 L508 | F449-F451 PolarHBondContact O-N 3.36Å; F449-L508 WeakPolarHBondContact CE1-O 3.47Å; F449-L508 WeakPolarHBondContact CZ-O 3.02Å |
| 450 | P | 77.4 | Confident | 72.4 | Confident | 34 Ų | 34 | 64.3 Ų | 64.3 | 22% | 0.221 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -18.6 | 175.3 | -18.8 | 33.3 | 0 | 0 | 0 | 113.2 | G448 | G448-P450 VanDerWaalsContact C-N 3.28Å; G448-P450 WeakPolarHBondContact O-CD 3.5Å; G448-P450 VanDerWaalsContact O-N 3.11Å |
| 451 | F | 78.8 | Confident | 70.8 | Confident | 8 Ų | 8 | 67.6 Ų | 67.6 | 4% | 0.035 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | -4.8 | -173.1 | -51.7 | -72.5 | 0 | 0 | 0 | 113.6 | L334 P447 G448 F449 R453 Y454 F510 V568 P569 T571 M660 | L334-F451 HydrophobicContact CD2-CB 4.17Å; P447-F451 HydrophobicContact CB-CB 4.18Å; G448-F451 CarbonylContact O-C 3.34Å; G448-F451 WeakPolarHBondContact O-CA 3.36Å; G448-F451 PolarHBondContact O-N 3Å; F449-F451 PolarHBondContact O-N 3.36Å; F451-R453 VanDerWaalsContact C-N 3.28Å; F451-R453 PolarHBondContact O-N 2.86Å; F451-Y454 HydrophobicContact CD1-CE2 4.42Å; F451-F510 AromaticContact CE2-CD1 3.85Å; F451-F510 HydrophobicContact CE2-CD1 3.85Å; F451-F510 HydrophobicContact CE2-CE1 4.01Å; F451-F510 HydrophobicContact CZ-CD1 4.04Å; F451-F510 AromaticContact CZ-CE1 3.89Å; F451-F510 HydrophobicContact CZ-CE1 3.89Å; F451-V568 HydrophobicContact CE1-CG1 4.38Å; F451-V568 HydrophobicContact CZ-CG1 3.9Å; F451-P569 HydrophobicContact CD1-CG 4.15Å; F451-P569 HydrophobicContact CD2-CG 3.88Å; F451-P569 HydrophobicContact CE1-CG 4.08Å; F451-P569 HydrophobicContact CE2-CG 3.81Å; F451-P569 HydrophobicContact CG-CG 4.05Å; F451-P569 HydrophobicContact CZ-CG 3.93Å; F451-T571 HydrophobicContact CD1-CG2 4.08Å; F451-T571 HydrophobicContact CE1-CG2 4.19Å; F451-M660 HydrophobicContact CE1-CE 3.72Å; F451-M660 HydrophobicContact CZ-CE 3.98Å |
| 452 | E | 66.8 | Low | 68.9 | Low | 131 Ų | 131 | 73 Ų | 73 | 61% | 0.612 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -28 | -178.5 | -81 | -178.5 | -174.8 | 0 | 0 | 113.8 | G448 | G448-E452 PolarHBondContact O-N 2.9Å; G448-E452 VanDerWaalsContact O-N 3.11Å |
| 453 | R | 61.9 | Low | 67.5 | Low | 145 Ų | 145 | 77.9 Ų | 77.9 | 55% | 0.547 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.2 | 67.7 | -176.9 | -66.5 | -170.7 | 180 | -167.3 | 0.7 | 112.3 | F451 G455 R456 | F451-R453 VanDerWaalsContact C-N 3.28Å; F451-R453 PolarHBondContact O-N 2.86Å; R453-G455 PolarHBondContact O-N 3.03Å; R453-R456 PolarHBondContact O-N 3.17Å |
| 454 | Y | 51.4 | Low | 66.2 | Low | 108 Ų | 108 | 80.6 Ų | 80.6 | 42% | 0.424 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | 106 | 164.3 | -104.4 | -95.4 | 0 | 0 | 0 | 110.3 | L334 F451 T571 I573 | L334-Y454 HydrophobicContact CB-CD2 4.5Å; L334-Y454 HydrophobicContact CB-CE2 4.33Å; L334-Y454 HydrophobicContact CD2-CE2 4.38Å; F451-Y454 HydrophobicContact CD1-CE2 4.42Å; Y454-T571 HydrophobicContact CE2-CG2 3.94Å; Y454-T571 WeakPolarHBondContact OH-CB 3.39Å; Y454-T571 WeakPolarHBondContact OH-CG2 3.31Å; Y454-I573 HydrophobicContact CE1-CD1 3.8Å; Y454-I573 HydrophobicContact CE1-CG1 4.34Å; Y454-I573 WeakPolarHBondContact OH-CD1 3.45Å |
| 455 | G | 45.4 | Very low | 65.5 | Low | 73 Ų | 73 | 79.9 Ų | 79.9 | 75% | 0.753 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.7 | 3.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 118 | R453 | R453-G455 PolarHBondContact O-N 3.03Š|
| 456 | R | 47.6 | Very low | 65.4 | Low | 205 Ų | 205 | 83.6 Ų | 83.6 | 77% | 0.774 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -137.6 | 144.1 | 168.2 | -73.7 | -173.9 | -178.9 | -179.5 | 0.6 | 110.4 | R453 | R453-R456 PolarHBondContact O-N 3.17Š|
| 457 | A | 43.2 | Very low | 65.5 | Low | 80 Ų | 80 | 81.5 Ų | 81.5 | 66% | 0.661 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -48.3 | 129.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | A459 | A457-A459 PolarHBondContact O-N 3.41Š|
| 458 | P | 48.3 | Very low | 65.6 | Low | 83 Ų | 83 | 81.9 Ų | 81.9 | 54% | 0.539 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 136.4 | 173.5 | -20.3 | 29.7 | 0 | 0 | 0 | 109.3 | ||
| 459 | A | 42.5 | Very low | 65.9 | Low | 62 Ų | 62 | 83.6 Ų | 83.6 | 51% | 0.512 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 140.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | A457 | A457-A459 PolarHBondContact O-N 3.41Š|
| 460 | P | 50.4 | Low | 66.3 | Low | 116 Ų | 116 | 79.2 Ų | 79.2 | 75% | 0.753 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -52.1 | 136.6 | 173.2 | -20.7 | 30.4 | 0 | 0 | 0 | 109 | A462 | P460-A462 PolarHBondContact O-N 3.23Š|
| 461 | P | 53.7 | Low | 66.8 | Low | 84 Ų | 84 | 77.9 Ų | 77.9 | 55% | 0.545 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 135.6 | 174.8 | 22.6 | -31.1 | 0 | 0 | 0 | 108.9 | V463 | P461-V463 PolarHBondContact O-N 2.87Š|
| 462 | A | 52.1 | Low | 67.3 | Low | 113 Ų | 113 | 78.3 Ų | 78.3 | 93% | 0.934 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -65.8 | -9.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | P460 | P460-A462 PolarHBondContact O-N 3.23Š|
| 463 | V | 63.7 | Low | 68.3 | Low | 114 Ų | 114 | 72.3 Ų | 72.3 | 69% | 0.691 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -129.9 | 131.3 | 177.5 | -176.6 | 0 | 0 | 0 | 0 | 107.3 | P461 | P461-V463 PolarHBondContact O-N 2.87Š|
| 464 | A | 68.1 | Low | 69.6 | Low | 57 Ų | 57 | 68.7 Ų | 68.7 | 47% | 0.471 | 42% | 0.424 | S | S | . | . | trans | -57.4 | 136.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | L466 | A464-L466 PolarHBondContact O-N 2.93Š| ||
| 465 | P | 78.7 | Confident | 71.2 | Confident | 72 Ų | 72 | 65 Ų | 65 | 47% | 0.468 | 41% | 0.411 | S | S | . | . | trans | -65.4 | 132.7 | 179.7 | 27.2 | -33.3 | 0 | 0 | 0 | 110.2 | W488 | P465-W488 VanDerWaalsContact O-CH2 3.27Å; P465-W488 WeakPolarHBondContact O-CH2 3.43Å | ||
| 466 | L | 91.1 | Very high | 73.3 | Confident | 80 Ų | 80 | 61.8 Ų | 61.8 | 42% | 0.419 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -87.8 | -10.6 | 176.2 | -62.8 | 176.6 | 0 | 0 | 0 | 112.8 | A464 V482 M483 L544 | A464-L466 PolarHBondContact O-N 2.93Å; L466-V482 CarbonylContact O-C 3.45Å; L466-V482 WeakPolarHBondContact O-CA 3.3Å; L466-M483 HydrophobicContact CD2-CB 4.28Å; L466-M483 HydrophobicContact CD2-CG 4.4Å; L466-M483 PolarHBondContact O-N 3.27Å; L466-L544 HydrophobicContact CB-CD1 3.97Å; L466-L544 HydrophobicContact CD1-CD1 3.8Å; L466-L544 HydrophobicContact CG-CD1 4.4Å |
| 467 | V | 93.9 | Very high | 75.5 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.018 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 141 | 178.6 | -176.4 | 0 | 0 | 0 | 0 | 108.8 | V480 E481 V482 V504 E507 L508 I543 | V467-V480 HydrophobicContact CG1-CG1 4.06Å; V467-E481 CarbonylContact C-O 3.57Å; V467-E481 WeakPolarHBondContact CA-O 3.5Å; V467-V482 HydrophobicContact CG2-CG1 4.49Å; V467-V482 HydrophobicContact CG2-CG2 4.28Å; V467-V504 HydrophobicContact CG1-CG1 4.03Å; V467-E507 WeakPolarHBondContact CG2-OE1 2.99Å; V467-E507 WeakPolarHBondContact CG2-OE2 3.39Å; V467-L508 WeakPolarHBondContact O-CD2 3.36Å; V467-I543 HydrophobicContact CG2-CG2 3.56Å |
| 468 | R | 92.8 | Very high | 77.9 | Confident | 41 Ų | 41 | 49.5 Ų | 49.5 | 16% | 0.155 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 157.9 | 174.3 | 71.8 | -175.4 | -174.5 | -178.4 | 7.5 | 111.3 | K470 E481 W488 D893 | R468-K470 HydrophobicContact CG-CG 4.42Å; R468-E481 HydrophobicContact CG-CB 3.85Å; R468-E481 IonicContact CZ-OE2 3.79Å; R468-E481 PolarHBondContact N-O 2.77Å; R468-E481 IonicContact NE-OE2 2.82Å; R468-E481 PolarHBondContact NE-OE2 2.6Å; R468-E481 IonicContact NH2-OE2 3.62Å; R468-E481 PolarHBondContact NH2-OE2 3.21Å; R468-E481 PolarHBondContact O-N 3.42Å; R468-W488 HydrophobicContact CB-CH2 3.89Å; R468-W488 HydrophobicContact CB-CZ2 4.5Å; R468-W488 HydrophobicContact CB-CZ3 4.02Å; R468-W488 HydrophobicContact CG-CD2 4.3Å; R468-W488 HydrophobicContact CG-CE3 3.83Å; R468-W488 HydrophobicContact CG-CH2 3.82Å; R468-W488 HydrophobicContact CG-CZ2 4.27Å; R468-W488 HydrophobicContact CG-CZ3 3.58Å; R468-W488 VanDerWaalsContact NH1-CD1 3.29Å; R468-D893 IonicContact CZ-OD2 3.61Å; R468-D893 PolarHBondContact NH1-O 3.41Å; R468-D893 IonicContact NH1-OD2 2.87Å; R468-D893 PolarHBondContact NH2-O 2.04Å; R468-D893 IonicContact NH2-OD2 3.2Å; R468-D893 PolarHBondContact NH2-OD2 2.95Å |
| 469 | L | 93.2 | Very high | 80.3 | Confident | 40 Ų | 40 | 45.8 Ų | 45.8 | 21% | 0.209 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 132.8 | 170.5 | -58 | -178.6 | 0 | 0 | 0 | 109.6 | R479 V480 V504 L508 V564 | L469-R479 VanDerWaalsContact CA-O 3.32Å; L469-R479 WeakPolarHBondContact CA-O 3.47Å; L469-V480 HydrophobicContact CD2-CG2 4.06Å; L469-V504 HydrophobicContact CD2-CG1 4.25Å; L469-L508 HydrophobicContact CD1-CD1 3.69Å; L469-L508 HydrophobicContact CD2-CD1 3.89Å; L469-L508 HydrophobicContact CG-CD1 3.49Å; L469-L508 VanDerWaalsContact CG-CD1 3.49Å; L469-V564 HydrophobicContact CD1-CG2 3.92Å; L469-V564 HydrophobicContact CD2-CG2 3.54Å; L469-V564 HydrophobicContact CG-CG2 4.4Å |
| 470 | K | 91.6 | Very high | 82.9 | Confident | 14 Ų | 14 | 42.9 Ų | 42.9 | 6% | 0.061 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 159.2 | 176.5 | -69 | -63.8 | -153.7 | 133.3 | 0 | 111.4 | R468 G472 G478 R479 E481 D867 D893 | R468-K470 HydrophobicContact CG-CG 4.42Å; K470-G472 PolarHBondContact O-N 2.88Å; K470-G478 CarbonylContact O-C 3.31Å; K470-G478 WeakPolarHBondContact O-CA 3.49Å; K470-R479 PolarHBondContact N-O 3.42Å; K470-R479 PolarHBondContact O-N 3.43Å; K470-E481 WeakPolarHBondContact CG-OE2 3.17Å; K470-D867 VanDerWaalsContact CD-OD2 3.29Å; K470-D867 WeakPolarHBondContact CD-OD2 3.15Å; K470-D867 WeakPolarHBondContact CE-OD2 2.93Å; K470-D867 IonicContact NZ-OD1 3.52Å; K470-D867 PolarHBondContact NZ-OD1 2.71Å; K470-D867 IonicContact NZ-OD2 3.16Å; K470-D867 PolarHBondContact NZ-OD2 2.9Å; K470-D893 WeakPolarHBondContact CE-OD2 3.48Å; K470-D893 IonicContact NZ-OD2 3.15Å; K470-D893 PolarHBondContact NZ-OD2 2.93Å |
| 471 | A | 87.4 | Confident | 85.1 | Confident | 7 Ų | 7 | 38 Ų | 38 | 6% | 0.058 | 23% | 0.234 | C | C | . | . | S | Bend | trans | 52.4 | 30.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | L522 F628 | A471-L522 VanDerWaalsContact CB-O 3.29Å; A471-L522 WeakPolarHBondContact CB-O 3.21Å; A471-F628 WeakPolarHBondContact O-CZ 3.45Å |
| 472 | G | 89.4 | Confident | 87.1 | Confident | 16 Ų | 16 | 34 Ų | 34 | 17% | 0.165 | 21% | 0.208 | C | C | . | . | trans | -90 | 128.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K470 R474 E477 F628 | K470-G472 PolarHBondContact O-N 2.88Å; G472-R474 VanDerWaalsContact C-N 3.26Å; G472-R474 PolarHBondContact O-N 3.07Å; G472-E477 VanDerWaalsContact CA-O 3.31Å; G472-E477 WeakPolarHBondContact CA-O 3.47Å; G472-F628 VanDerWaalsContact C-CZ 3.5Å; G472-F628 WeakPolarHBondContact O-CE1 3.03Å | ||
| 473 | P | 88.7 | Confident | 89 | Confident | 6 Ų | 6 | 29.6 Ų | 29.6 | 4% | 0.039 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -70.8 | -24 | 178.7 | 26.6 | -33.6 | 0 | 0 | 0 | 112.8 | G627 F628 | P473-G627 CarbonylContact O-C 3.59Å; P473-G627 WeakPolarHBondContact O-CA 3.41Å; P473-F628 VanDerWaalsContact CA-CZ 3.48Å; P473-F628 HydrophobicContact CB-CD2 4Å; P473-F628 HydrophobicContact CB-CE2 3.57Å; P473-F628 HydrophobicContact CB-CZ 3.9Å; P473-F628 HydrophobicContact CG-CE2 4.33Å; P473-F628 VanDerWaalsContact N-CZ 3.34Å |
| 474 | R | 87.9 | Confident | 90.2 | Very high | 69 Ų | 69 | 26.3 Ų | 26.3 | 26% | 0.26 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -130.5 | 159.2 | -175.2 | -73.8 | 179.9 | -79.8 | -94.2 | -11.8 | 110.4 | G472 G476 E477 E688 | G472-R474 VanDerWaalsContact C-N 3.26Å; G472-R474 PolarHBondContact O-N 3.07Å; R474-G476 PolarHBondContact O-N 2.82Å; R474-E477 HydrophobicContact CB-CG 4.02Å; R474-E477 IonicContact CZ-OE1 3.69Å; R474-E477 IonicContact NE-OE1 3.28Å; R474-E477 PolarHBondContact NE-OE1 3.24Å; R474-E477 IonicContact NE-OE2 3.66Å; R474-E477 IonicContact NH2-OE1 3.8Å; R474-E477 IonicContact NH2-OE2 3.82Å; R474-E477 PolarHBondContact O-N 2.81Å; R474-E477 VanDerWaalsContact O-N 3.09Å; R474-E688 IonicContact CZ-OE2 2.87Å; R474-E688 IonicContact NH1-OE1 3.17Å; R474-E688 PolarHBondContact NH1-OE1 3.28Å; R474-E688 IonicContact NH1-OE2 2.81Å; R474-E688 PolarHBondContact NH1-OE2 3.2Å; R474-E688 IonicContact NH2-OE2 2.7Å; R474-E688 PolarHBondContact NH2-OE2 3.38Å |
| 475 | I | 86.1 | Confident | 91 | Very high | 30 Ų | 30 | 32 Ų | 32 | 15% | 0.154 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | 133.5 | 172.9 | -68.3 | 157.9 | 0 | 0 | 0 | 109.2 | E477 F510 V568 R622 M660 | I475-E477 PolarHBondContact O-N 3.14Å; I475-F510 HydrophobicContact CG2-CE1 3.66Å; I475-F510 HydrophobicContact CG2-CZ 4.14Å; I475-V568 HydrophobicContact CG2-CG1 3.93Å; I475-V568 HydrophobicContact CG2-CG2 4.02Å; I475-V568 WeakPolarHBondContact O-CG2 3.03Å; I475-R622 HydrophobicContact CG1-CG 4Å; I475-M660 HydrophobicContact CB-CE 4.18Å; I475-M660 HydrophobicContact CB-SD 4.43Å; I475-M660 HydrophobicContact CD1-CE 3.53Å; I475-M660 HydrophobicContact CD1-SD 3.74Å; I475-M660 HydrophobicContact CG1-CE 3.8Å; I475-M660 HydrophobicContact CG1-SD 3.64Å; I475-M660 HydrophobicContact CG2-CE 3.32Å; I475-M660 HydrophobicContact CG2-SD 3.93Å |
| 476 | G | 89.4 | Confident | 91.4 | Very high | 6 Ų | 6 | 29.1 Ų | 29.1 | 6% | 0.062 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 10.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | R474 C566 | R474-G476 PolarHBondContact O-N 2.82Å; G476-C566 VanDerWaalsContact O-CB 3.31Å; G476-C566 WeakPolarHBondContact O-CB 3.32Å; G476-C566 PolarHBondContact O-N 3.05Å; G476-C566 PolarHBondContact O-SG 3.05Å |
| 477 | E | 92.9 | Very high | 91.3 | Very high | 26 Ų | 26 | 28.3 Ų | 28.3 | 12% | 0.121 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 149.7 | 169.6 | -55 | -169.4 | -161.9 | 0 | 0 | 109.8 | G472 R474 I475 L522 V564 R565 | G472-E477 VanDerWaalsContact CA-O 3.31Å; G472-E477 WeakPolarHBondContact CA-O 3.47Å; R474-E477 HydrophobicContact CB-CG 4.02Å; R474-E477 IonicContact CZ-OE1 3.69Å; R474-E477 IonicContact NE-OE1 3.28Å; R474-E477 PolarHBondContact NE-OE1 3.24Å; R474-E477 IonicContact NE-OE2 3.66Å; R474-E477 IonicContact NH2-OE1 3.8Å; R474-E477 IonicContact NH2-OE2 3.82Å; R474-E477 PolarHBondContact O-N 2.81Å; R474-E477 VanDerWaalsContact O-N 3.09Å; I475-E477 PolarHBondContact O-N 3.14Å; E477-L522 HydrophobicContact CB-CD1 4.18Å; E477-V564 VanDerWaalsContact CA-O 3.3Å; E477-V564 WeakPolarHBondContact CA-O 3.29Å; E477-R565 HydrophobicContact CB-CG 4.31Å; E477-R565 HydrophobicContact CG-CB 4.04Å; E477-R565 HydrophobicContact CG-CG 3.77Å; E477-R565 IonicContact OE1-NE 2.73Å; E477-R565 IonicContact OE2-CZ 2.99Å; E477-R565 IonicContact OE2-NE 3.67Å; E477-R565 PolarHBondContact OE2-NE 2.76Å |
| 478 | G | 94.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 153.3 | 169.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | K470 A563 V564 | K470-G478 CarbonylContact O-C 3.31Å; K470-G478 WeakPolarHBondContact O-CA 3.49Å; G478-A563 CarbonylContact O-C 3.36Å; G478-A563 VanDerWaalsContact O-CA 3.24Å; G478-A563 WeakPolarHBondContact O-CA 3.48Å; G478-A563 VanDerWaalsContact O-CB 3.25Å; G478-A563 WeakPolarHBondContact O-CB 3.5Å; G478-V564 PolarHBondContact N-O 2.85Å; G478-V564 VanDerWaalsContact N-O 3.14Å; G478-V564 PolarHBondContact O-N 3.03Å |
| 479 | R | 96.8 | Very high | 91.3 | Very high | 6 Ų | 6 | 27.5 Ų | 27.5 | 2% | 0.023 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 135.6 | 169 | 178.7 | 178.8 | 59.3 | -108.3 | 5.1 | 109.8 | L469 K470 E481 G523 Q524 D561 | L469-R479 VanDerWaalsContact CA-O 3.32Å; L469-R479 WeakPolarHBondContact CA-O 3.47Å; K470-R479 PolarHBondContact N-O 3.42Å; K470-R479 PolarHBondContact O-N 3.43Å; R479-E481 IonicContact CZ-OE1 3.54Å; R479-E481 IonicContact NE-OE1 3.52Å; R479-E481 PolarHBondContact NE-OE1 2.73Å; R479-E481 IonicContact NH2-OE1 2.77Å; R479-E481 PolarHBondContact NH2-OE1 3.29Å; R479-G523 WeakPolarHBondContact CD-O 3.32Å; R479-G523 VanDerWaalsContact NH1-C 3.32Å; R479-G523 PolarHBondContact NH1-O 3.24Å; R479-G523 VanDerWaalsContact NH1-O 3.16Å; R479-Q524 PolarHBondContact NH1-O 2.87Å; R479-D561 HydrophobicContact CG-CB 4.33Å |
| 480 | V | 97.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 121.6 | 179.7 | -176.2 | 0 | 0 | 0 | 0 | 109.7 | V467 L469 V482 V491 W496 V504 V562 V564 | V467-V480 HydrophobicContact CG1-CG1 4.06Å; L469-V480 HydrophobicContact CD2-CG2 4.06Å; V480-V482 HydrophobicContact CG1-CG2 4.27Å; V480-V491 HydrophobicContact CG1-CG2 4.34Å; V480-W496 HydrophobicContact CG2-CZ2 4.34Å; V480-V504 HydrophobicContact CG1-CG1 4.26Å; V480-V504 HydrophobicContact CG1-CG2 4.15Å; V480-V504 HydrophobicContact CG2-CG1 4.18Å; V480-V562 HydrophobicContact CB-CG2 3.95Å; V480-V562 HydrophobicContact CG2-CG2 4.11Å; V480-V562 PolarHBondContact N-O 2.79Å; V480-V564 HydrophobicContact CG2-CB 4.48Å; V480-V564 HydrophobicContact CG2-CG1 3.73Å; V480-V564 HydrophobicContact CG2-CG2 4.14Å |
| 481 | E | 96.6 | Very high | 91.7 | Very high | 13 Ų | 13 | 25 Ų | 25 | 6% | 0.061 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 138.9 | 171.9 | -71.3 | 175.3 | -168 | 0 | 0 | 109.7 | V467 R468 K470 R479 W488 G489 T490 | V467-E481 CarbonylContact C-O 3.57Å; V467-E481 WeakPolarHBondContact CA-O 3.5Å; R468-E481 HydrophobicContact CG-CB 3.85Å; R468-E481 IonicContact CZ-OE2 3.79Å; R468-E481 PolarHBondContact N-O 2.77Å; R468-E481 IonicContact NE-OE2 2.82Å; R468-E481 PolarHBondContact NE-OE2 2.6Å; R468-E481 IonicContact NH2-OE2 3.62Å; R468-E481 PolarHBondContact NH2-OE2 3.21Å; R468-E481 PolarHBondContact O-N 3.42Å; K470-E481 WeakPolarHBondContact CG-OE2 3.17Å; R479-E481 IonicContact CZ-OE1 3.54Å; R479-E481 IonicContact NE-OE1 3.52Å; R479-E481 PolarHBondContact NE-OE1 2.73Å; R479-E481 IonicContact NH2-OE1 2.77Å; R479-E481 PolarHBondContact NH2-OE1 3.29Å; E481-W488 HydrophobicContact CB-CE3 4.09Å; E481-W488 WeakPolarHBondContact O-CZ3 3.49Å; E481-G489 CarbonylContact C-O 3.55Å; E481-G489 WeakPolarHBondContact CA-O 3.19Å; E481-T490 HydrophobicContact CG-CG2 4.11Å |
| 482 | V | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 138.2 | -174.7 | -176.4 | 0 | 0 | 0 | 0 | 109.3 | L466 V467 V480 W488 G489 V491 H530 M531 I543 L544 | L466-V482 CarbonylContact O-C 3.45Å; L466-V482 WeakPolarHBondContact O-CA 3.3Å; V467-V482 HydrophobicContact CG2-CG1 4.49Å; V467-V482 HydrophobicContact CG2-CG2 4.28Å; V480-V482 HydrophobicContact CG1-CG2 4.27Å; V482-W488 VanDerWaalsContact C-CE3 3.45Å; V482-G489 PolarHBondContact N-O 3Å; V482-G489 PolarHBondContact O-N 3.49Å; V482-V491 HydrophobicContact CG2-CG2 3.7Å; V482-H530 PolarHBondContact O-CD2 2.76Å; V482-M531 HydrophobicContact CB-SD 4.32Å; V482-M531 HydrophobicContact CG1-SD 4.16Å; V482-M531 HydrophobicContact CG2-SD 3.96Å; V482-I543 HydrophobicContact CG2-CG2 4.07Å; V482-L544 HydrophobicContact CG1-CD1 4.35Å; V482-L544 HydrophobicContact CG1-CD2 3.52Å; V482-L544 HydrophobicContact CG1-CG 4.01Å |
| 483 | M | 93 | Very high | 92.4 | Very high | 22 Ų | 22 | 24.9 Ų | 24.9 | 11% | 0.108 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 121.4 | 176.1 | -179.3 | 61.6 | 83 | 0 | 0 | 109.6 | L466 K487 W488 | L466-M483 HydrophobicContact CD2-CB 4.28Å; L466-M483 HydrophobicContact CD2-CG 4.4Å; L466-M483 PolarHBondContact O-N 3.27Å; M483-K487 VanDerWaalsContact SD-C 3.54Å; M483-K487 PolarHBondContact SD-N 3.09Å; M483-K487 VanDerWaalsContact SD-N 3.37Å; M483-W488 HydrophobicContact CB-CD2 4.32Å; M483-W488 HydrophobicContact CB-CE3 4.06Å; M483-W488 HydrophobicContact CB-CH2 4Å; M483-W488 HydrophobicContact CB-CZ2 4.27Å; M483-W488 HydrophobicContact CB-CZ3 3.89Å; M483-W488 HydrophobicContact CE-CD2 3.84Å; M483-W488 HydrophobicContact CE-CG 3.99Å; M483-W488 HydrophobicContact CE-CZ2 3.75Å; M483-W488 HydrophobicContact SD-CD2 4.47Å |
| 484 | K | 88.2 | Confident | 92.6 | Very high | 45 Ų | 45 | 28 Ų | 28 | 20% | 0.196 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 130.1 | 174.3 | -174.2 | 173.2 | 177.5 | 175.3 | 0 | 110.1 | G486 K487 H530 Y548 | K484-G486 PolarHBondContact O-N 3.23Å; K484-K487 PolarHBondContact N-O 3.09Å; K484-K487 PolarHBondContact O-N 3.33Å; K484-K487 VanDerWaalsContact O-O 3.04Å; K484-H530 HydrophobicContact CD-CB 4.49Å; K484-Y548 PolarHBondContact NZ-OH 3.32Å |
| 485 | E | 85.1 | Confident | 92.9 | Very high | 177 Ų | 177 | 29.8 Ų | 29.8 | 83% | 0.827 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53 | 41.4 | 179.8 | -63.1 | 168.8 | -159.2 | 0 | 0 | 112.5 | K487 | E485-K487 PolarHBondContact O-N 3.1Š|
| 486 | G | 86.8 | Confident | 93.4 | Very high | 10 Ų | 10 | 29.4 Ų | 29.4 | 10% | 0.103 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77 | 0.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | K484 Y895 S896 E899 | K484-G486 PolarHBondContact O-N 3.23Å; G486-Y895 CarbonylContact O-C 3.54Å; G486-Y895 VanDerWaalsContact O-CA 3.25Å; G486-Y895 WeakPolarHBondContact O-CA 3.31Å; G486-Y895 WeakPolarHBondContact O-CB 3.31Å; G486-Y895 WeakPolarHBondContact O-CD1 3.06Å; G486-S896 PolarHBondContact O-N 2.85Å; G486-E899 WeakPolarHBondContact CA-OE2 3.26Å |
| 487 | K | 89.6 | Confident | 93.7 | Very high | 63 Ų | 63 | 31.8 Ų | 31.8 | 27% | 0.274 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 132.8 | -178 | -165.4 | 172.8 | -175.1 | 169.4 | 0 | 112.4 | M483 K484 E485 P528 H530 A894 Y895 | M483-K487 VanDerWaalsContact SD-C 3.54Å; M483-K487 PolarHBondContact SD-N 3.09Å; M483-K487 VanDerWaalsContact SD-N 3.37Å; K484-K487 PolarHBondContact N-O 3.09Å; K484-K487 PolarHBondContact O-N 3.33Å; K484-K487 VanDerWaalsContact O-O 3.04Å; E485-K487 PolarHBondContact O-N 3.1Å; K487-P528 HydrophobicContact CD-CG 4.02Å; K487-P528 HydrophobicContact CG-CG 4.29Å; K487-H530 PolarHBondContact O-NE2 3.39Å; K487-A894 WeakPolarHBondContact CG-O 3.26Å; K487-Y895 HydrophobicContact CB-CD1 3.87Å; K487-Y895 HydrophobicContact CB-CE1 3.85Å; K487-Y895 HydrophobicContact CD-CD1 4.38Å; K487-Y895 HydrophobicContact CD-CE1 3.64Å; K487-Y895 HydrophobicContact CG-CD1 3.95Å; K487-Y895 HydrophobicContact CG-CE1 3.72Å; K487-Y895 PolarHBondContact NZ-OH 3.04Å |
| 488 | W | 94.2 | Very high | 93.8 | Very high | 26 Ų | 26 | 33.6 Ų | 33.6 | 10% | 0.098 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 141.5 | 169.6 | -70.8 | 105.5 | 0 | 0 | 0 | 111 | P465 R468 E481 V482 M483 D893 A894 | P465-W488 VanDerWaalsContact O-CH2 3.27Å; P465-W488 WeakPolarHBondContact O-CH2 3.43Å; R468-W488 HydrophobicContact CB-CH2 3.89Å; R468-W488 HydrophobicContact CB-CZ2 4.5Å; R468-W488 HydrophobicContact CB-CZ3 4.02Å; R468-W488 HydrophobicContact CG-CD2 4.3Å; R468-W488 HydrophobicContact CG-CE3 3.83Å; R468-W488 HydrophobicContact CG-CH2 3.82Å; R468-W488 HydrophobicContact CG-CZ2 4.27Å; R468-W488 HydrophobicContact CG-CZ3 3.58Å; R468-W488 VanDerWaalsContact NH1-CD1 3.29Å; E481-W488 HydrophobicContact CB-CE3 4.09Å; E481-W488 WeakPolarHBondContact O-CZ3 3.49Å; V482-W488 VanDerWaalsContact C-CE3 3.45Å; M483-W488 HydrophobicContact CB-CD2 4.32Å; M483-W488 HydrophobicContact CB-CE3 4.06Å; M483-W488 HydrophobicContact CB-CH2 4Å; M483-W488 HydrophobicContact CB-CZ2 4.27Å; M483-W488 HydrophobicContact CB-CZ3 3.89Å; M483-W488 HydrophobicContact CE-CD2 3.84Å; M483-W488 HydrophobicContact CE-CG 3.99Å; M483-W488 HydrophobicContact CE-CZ2 3.75Å; M483-W488 HydrophobicContact SD-CD2 4.47Å; W488-D893 VanDerWaalsContact CD1-O 3.28Å; W488-A894 PolarHBondContact N-O 3.36Å |
| 489 | G | 93.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 165.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | E481 V482 P528 H530 | E481-G489 CarbonylContact C-O 3.55Å; E481-G489 WeakPolarHBondContact CA-O 3.19Å; V482-G489 PolarHBondContact N-O 3Å; V482-G489 PolarHBondContact O-N 3.49Å; G489-P528 CarbonylContact C-O 3.47Å; G489-P528 WeakPolarHBondContact CA-O 3.47Å; G489-H530 WeakPolarHBondContact CA-CD2 3.18Å; G489-H530 PolarHBondContact N-CD2 3.47Å; G489-H530 PolarHBondContact N-NE2 3.03Å |
| 490 | T | 95.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 174.4 | -174.1 | 63.5 | 0 | 0 | 0 | 0 | 112.6 | E481 P528 I529 H530 H558 D561 | E481-T490 HydrophobicContact CG-CG2 4.11Å; T490-P528 PolarHBondContact N-O 3.5Å; T490-I529 CarbonylContact O-C 3.58Å; T490-H530 PolarHBondContact O-N 3.18Å; T490-H558 PolarHBondContact OG1-ND1 3.3Å; T490-D561 WeakPolarHBondContact CB-OD1 3.26Å; T490-D561 PolarHBondContact OG1-OD1 2.89Å |
| 491 | V | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 130.9 | 177.2 | 178.2 | 0 | 0 | 0 | 0 | 109.4 | V480 V482 W496 M531 V534 D561 V562 | V480-V491 HydrophobicContact CG1-CG2 4.34Å; V482-V491 HydrophobicContact CG2-CG2 3.7Å; V491-W496 HydrophobicContact CG1-CZ3 4.44Å; V491-M531 HydrophobicContact CB-CB 4.46Å; V491-M531 HydrophobicContact CG1-CB 4.05Å; V491-M531 HydrophobicContact CG2-CB 4.08Å; V491-M531 HydrophobicContact CG2-CG 4.37Å; V491-M531 HydrophobicContact CG2-SD 4Å; V491-V534 HydrophobicContact CG1-CG2 3.69Å; V491-D561 WeakPolarHBondContact O-CA 3.31Å; V491-V562 HydrophobicContact CB-CG2 3.65Å; V491-V562 HydrophobicContact CG1-CG2 3.87Å; V491-V562 PolarHBondContact O-N 2.89Å |
| 492 | C | 95.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | B | Isolated β-bridge | trans | -77 | 147.1 | 179.7 | -167.8 | 0 | 0 | 0 | 0 | 112.3 | H494 I529 M531 N532 C556 | C492-H494 PolarHBondContact O-N 2.04Å; C492-I529 HydrophobicContact CB-CG2 4.01Å; C492-M531 WeakPolarHBondContact CB-O 3.44Å; C492-M531 PolarHBondContact N-O 3.31Å; C492-N532 HydrophobicContact CB-CB 3.93Å; C492-C556 HydrophobicContact CB-CB 3.94Å; C492-C556 WeakPolarHBondContact CB-SG 3.33Å; C492-C556 WeakPolarHBondContact SG-CB 3Å; C492-C556 CovalentContact SG-SG 2.04Å; C492-C556 PolarHBondContact SG-SG 2.84Å |
| 493 | D | 95.6 | Very high | 93.9 | Very high | 21 Ų | 21 | 35.2 Ų | 35.2 | 11% | 0.112 | 17% | 0.173 | C | C | . | . | trans | -80.8 | -3.9 | -171 | 68.5 | 5.8 | 0 | 0 | 0 | 117.9 | L495 W496 T518 R519 Q560 V562 | D493-L495 PolarHBondContact O-N 3.33Å; D493-W496 WeakPolarHBondContact O-CB 3.29Å; D493-W496 PolarHBondContact O-N 2.82Å; D493-W496 VanDerWaalsContact O-N 3.14Å; D493-T518 HydrophobicContact CB-CG2 3.86Å; D493-R519 PolarHBondContact OD2-N 3.06Å; D493-Q560 VanDerWaalsContact CB-O 3.23Å; D493-Q560 WeakPolarHBondContact CB-O 3.48Å; D493-Q560 PolarHBondContact N-O 2.77Å; D493-Q560 PolarHBondContact OD1-NE2 2.77Å; D493-V562 HydrophobicContact CB-CG1 3.58Å | ||
| 494 | H | 93.6 | Very high | 94.1 | Very high | 71 Ų | 71 | 34.2 Ų | 34.2 | 33% | 0.329 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 129.4 | 176.3 | -51.6 | 130.5 | 0 | 0 | 0 | 110.8 | C492 W496 N532 S533 Q560 | C492-H494 PolarHBondContact O-N 2.04Å; H494-W496 PolarHBondContact O-N 3.3Å; H494-W496 VanDerWaalsContact O-N 3.15Å; H494-N532 VanDerWaalsContact CB-OD1 3.29Å; H494-N532 WeakPolarHBondContact CB-OD1 3.43Å; H494-N532 PolarHBondContact ND1-ND2 3.28Å; H494-N532 PolarHBondContact ND1-OD1 3.01Å; H494-S533 WeakPolarHBondContact O-CA 3.46Å; H494-S533 PolarHBondContact O-N 2.88Å; H494-Q560 PolarHBondContact NE2-NE2 2.84Å; H494-Q560 VanDerWaalsContact NE2-NE2 3.11Å |
| 495 | L | 94.3 | Very high | 94.5 | Very high | 108 Ų | 108 | 32 Ų | 32 | 57% | 0.565 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 19.7 | -177.3 | -53.8 | 179.4 | 0 | 0 | 0 | 114.7 | D493 D497 Q535 | D493-L495 PolarHBondContact O-N 3.33Å; L495-D497 PolarHBondContact O-N 3.42Å; L495-Q535 HydrophobicContact CD1-CG 4.38Å |
| 496 | W | 97.3 | Very high | 94.9 | Very high | 21 Ų | 21 | 25.9 Ų | 25.9 | 8% | 0.08 | 13% | 0.128 | C | C | . | . | trans | -68.3 | 120.8 | 175 | -174.2 | -117.8 | 0 | 0 | 0 | 111 | V480 V491 D493 H494 A500 A501 V504 T518 V534 I543 V562 A563 V564 | V480-W496 HydrophobicContact CG2-CZ2 4.34Å; V491-W496 HydrophobicContact CG1-CZ3 4.44Å; D493-W496 WeakPolarHBondContact O-CB 3.29Å; D493-W496 PolarHBondContact O-N 2.82Å; D493-W496 VanDerWaalsContact O-N 3.14Å; H494-W496 PolarHBondContact O-N 3.3Å; H494-W496 VanDerWaalsContact O-N 3.15Å; W496-A500 HydrophobicContact CE3-CB 3.8Å; W496-A500 HydrophobicContact CH2-CB 4.01Å; W496-A500 HydrophobicContact CZ3-CB 3.48Å; W496-A500 VanDerWaalsContact CZ3-CB 3.48Å; W496-A501 HydrophobicContact CZ2-CB 3.86Å; W496-V504 HydrophobicContact CH2-CG2 3.99Å; W496-T518 HydrophobicContact CB-CG2 4.33Å; W496-V534 HydrophobicContact CE3-CB 4.29Å; W496-V534 HydrophobicContact CZ3-CB 4.23Å; W496-V534 HydrophobicContact CZ3-CG1 4.29Å; W496-I543 HydrophobicContact CH2-CD1 3.94Å; W496-I543 HydrophobicContact CZ3-CD1 3.88Å; W496-V562 HydrophobicContact CB-CG1 3.79Å; W496-V562 HydrophobicContact CD2-CB 3.93Å; W496-V562 HydrophobicContact CD2-CG1 3.77Å; W496-V562 HydrophobicContact CD2-CG2 4.07Å; W496-V562 HydrophobicContact CE3-CG1 4.36Å; W496-V562 HydrophobicContact CE3-CG2 4.34Å; W496-V562 HydrophobicContact CG-CB 3.95Å; W496-V562 HydrophobicContact CG-CG1 3.48Å; W496-V562 VanDerWaalsContact CG-CG1 3.48Å; W496-V562 HydrophobicContact CH2-CG2 4.31Å; W496-V562 HydrophobicContact CZ2-CB 4.4Å; W496-V562 HydrophobicContact CZ2-CG2 4Å; W496-V562 HydrophobicContact CZ3-CG2 4.46Å; W496-A563 PolarHBondContact NE1-O 2.88Å; W496-V564 HydrophobicContact CZ2-CG1 3.65Å | ||
| 497 | D | 95.2 | Very high | 95.3 | Very high | 57 Ų | 57 | 27.6 Ų | 27.6 | 31% | 0.305 | 13% | 0.133 | S | C | . | . | trans | -128.7 | 174.4 | -175.2 | 78.6 | 0.3 | 0 | 0 | 0 | 113.3 | L495 N499 A500 A501 A516 | L495-D497 PolarHBondContact O-N 3.42Å; D497-N499 VanDerWaalsContact C-N 3.25Å; D497-N499 PolarHBondContact O-N 2.95Å; D497-N499 WeakPolarHBondContact OD1-CB 3.49Å; D497-N499 PolarHBondContact OD1-N 3.39Å; D497-A500 PolarHBondContact O-N 3.29Å; D497-A500 WeakPolarHBondContact OD1-CB 3.42Å; D497-A500 PolarHBondContact OD1-N 2.79Å; D497-A501 WeakPolarHBondContact O-CB 3.07Å; D497-A501 PolarHBondContact O-N 2.88Å; D497-A516 WeakPolarHBondContact O-CB 3.32Å | ||
| 498 | L | 95.3 | Very high | 95.5 | Very high | 63 Ų | 63 | 25.6 Ų | 25.6 | 33% | 0.33 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -65.9 | -25.7 | 179.5 | -80.5 | 171.4 | 0 | 0 | 0 | 113.3 | V417 S502 A513 A516 | V417-L498 HydrophobicContact CG1-CB 4.29Å; V417-L498 HydrophobicContact CG2-CB 4.38Å; V417-L498 HydrophobicContact CG2-CD1 4.31Å; L498-S502 WeakPolarHBondContact O-CB 3.45Å; L498-S502 PolarHBondContact O-N 3.35Å; L498-S502 PolarHBondContact O-OG 3.07Å; L498-A513 HydrophobicContact CD2-CB 4.23Å; L498-A516 HydrophobicContact CD2-CB 4.08Å; L498-A516 HydrophobicContact CG-CB 4.33Å |
| 499 | N | 95 | Very high | 95.4 | Very high | 49 Ų | 49 | 24.5 Ų | 24.5 | 26% | 0.262 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -72.1 | -47.3 | 178.4 | -68 | -38.2 | 0 | 0 | 0 | 110.2 | D497 S502 V503 | D497-N499 VanDerWaalsContact C-N 3.25Å; D497-N499 PolarHBondContact O-N 2.95Å; D497-N499 WeakPolarHBondContact OD1-CB 3.49Å; D497-N499 PolarHBondContact OD1-N 3.39Å; N499-S502 PolarHBondContact O-N 3.42Å; N499-S502 VanDerWaalsContact O-N 3.16Å; N499-V503 WeakPolarHBondContact O-CG2 3.41Å; N499-V503 PolarHBondContact O-N 2.9Å |
| 500 | A | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.3 | -44.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | W496 D497 S502 V503 V504 V534 C536 | W496-A500 HydrophobicContact CE3-CB 3.8Å; W496-A500 HydrophobicContact CH2-CB 4.01Å; W496-A500 HydrophobicContact CZ3-CB 3.48Å; W496-A500 VanDerWaalsContact CZ3-CB 3.48Å; D497-A500 PolarHBondContact O-N 3.29Å; D497-A500 WeakPolarHBondContact OD1-CB 3.42Å; D497-A500 PolarHBondContact OD1-N 2.79Å; A500-S502 VanDerWaalsContact C-N 3.29Å; A500-S502 PolarHBondContact O-N 2.96Å; A500-V503 PolarHBondContact O-N 2.91Å; A500-V504 PolarHBondContact O-N 2.69Å; A500-V534 HydrophobicContact CB-CG1 4.19Å; A500-C536 VanDerWaalsContact CA-SG 3.53Å; A500-C536 HydrophobicContact CB-CB 4.12Å |
| 501 | A | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.1 | -39.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | W496 D497 V503 V504 C505 A513 A516 V564 | W496-A501 HydrophobicContact CZ2-CB 3.86Å; D497-A501 WeakPolarHBondContact O-CB 3.07Å; D497-A501 PolarHBondContact O-N 2.88Å; A501-V503 VanDerWaalsContact C-N 3.35Å; A501-V503 PolarHBondContact O-N 2.04Å; A501-V504 WeakPolarHBondContact O-CB 3.39Å; A501-V504 PolarHBondContact O-N 3.49Å; A501-C505 PolarHBondContact O-N 3.47Å; A501-C505 PolarHBondContact O-SG 3.39Å; A501-C505 VanDerWaalsContact O-SG 3.35Å; A501-A513 HydrophobicContact CB-CB 3.5Å; A501-A513 VanDerWaalsContact CB-CB 3.5Å; A501-A516 HydrophobicContact CB-CB 3.77Å; A501-V564 HydrophobicContact CB-CB 4.5Å; A501-V564 HydrophobicContact CB-CG1 3.62Å |
| 502 | S | 96.5 | Very high | 95.2 | Very high | 5 Ų | 5 | 25.9 Ų | 25.9 | 4% | 0.035 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -69.9 | -29.9 | 178.6 | -65.8 | 0 | 0 | 0 | 0 | 113.2 | V417 L498 N499 A500 R506 A513 | V417-S502 WeakPolarHBondContact CG1-OG 3.07Å; L498-S502 WeakPolarHBondContact O-CB 3.45Å; L498-S502 PolarHBondContact O-N 3.35Å; L498-S502 PolarHBondContact O-OG 3.07Å; N499-S502 PolarHBondContact O-N 3.42Å; N499-S502 VanDerWaalsContact O-N 3.16Å; A500-S502 VanDerWaalsContact C-N 3.29Å; A500-S502 PolarHBondContact O-N 2.96Å; S502-R506 VanDerWaalsContact O-CB 3.3Å; S502-R506 WeakPolarHBondContact O-CB 3.39Å; S502-R506 PolarHBondContact O-N 3.07Å; S502-A513 WeakPolarHBondContact OG-CB 3.44Å; S502-A513 PolarHBondContact OG-N 2.9Å |
| 503 | V | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.4 | -48.2 | 170.9 | 172.6 | 0 | 0 | 0 | 0 | 109.7 | N499 A500 A501 C505 R506 E507 C536 E540 S542 | N499-V503 WeakPolarHBondContact O-CG2 3.41Å; N499-V503 PolarHBondContact O-N 2.9Å; A500-V503 PolarHBondContact O-N 2.91Å; A501-V503 VanDerWaalsContact C-N 3.35Å; A501-V503 PolarHBondContact O-N 2.04Å; V503-C505 PolarHBondContact O-N 3.46Å; V503-R506 PolarHBondContact O-N 3.27Å; V503-E507 WeakPolarHBondContact O-CB 3.24Å; V503-E507 PolarHBondContact O-N 2.84Å; V503-C536 HydrophobicContact CG2-CB 3.9Å; V503-E540 HydrophobicContact CG1-CB 4.03Å; V503-E540 HydrophobicContact CG2-CB 4.17Å; V503-S542 VanDerWaalsContact CG1-C 3.49Å |
| 504 | V | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.6 | -49.6 | 175.7 | 171.3 | 0 | 0 | 0 | 0 | 111.7 | V467 L469 V480 W496 A500 A501 R506 E507 L508 I543 V564 | V467-V504 HydrophobicContact CG1-CG1 4.03Å; L469-V504 HydrophobicContact CD2-CG1 4.25Å; V480-V504 HydrophobicContact CG1-CG1 4.26Å; V480-V504 HydrophobicContact CG1-CG2 4.15Å; V480-V504 HydrophobicContact CG2-CG1 4.18Å; W496-V504 HydrophobicContact CH2-CG2 3.99Å; A500-V504 PolarHBondContact O-N 2.69Å; A501-V504 WeakPolarHBondContact O-CB 3.39Å; A501-V504 PolarHBondContact O-N 3.49Å; V504-R506 VanDerWaalsContact C-N 3.31Å; V504-R506 PolarHBondContact O-N 3.25Å; V504-E507 PolarHBondContact O-N 3.47Å; V504-L508 HydrophobicContact CG1-CD1 3.84Å; V504-L508 WeakPolarHBondContact O-CG 3.31Å; V504-L508 PolarHBondContact O-N 3.01Å; V504-I543 HydrophobicContact CG2-CB 4.01Å; V504-I543 HydrophobicContact CG2-CD1 3.61Å; V504-I543 HydrophobicContact CG2-CG1 4.16Å; V504-V564 HydrophobicContact CG1-CG1 4.43Å; V504-V564 HydrophobicContact CG1-CG2 4.17Å |
| 505 | C | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.6 | -43.5 | 179.8 | -71.1 | 0 | 0 | 0 | 0 | 112.2 | A501 V503 L508 G509 F510 G511 C566 | A501-C505 PolarHBondContact O-N 3.47Å; A501-C505 PolarHBondContact O-SG 3.39Å; A501-C505 VanDerWaalsContact O-SG 3.35Å; V503-C505 PolarHBondContact O-N 3.46Å; C505-L508 PolarHBondContact O-N 2.81Å; C505-G509 PolarHBondContact O-N 2.85Å; C505-F510 HydrophobicContact CB-CB 4.37Å; C505-F510 WeakPolarHBondContact O-CA 3.35Å; C505-F510 WeakPolarHBondContact O-CB 3.25Å; C505-F510 PolarHBondContact O-N 2.7Å; C505-G511 WeakPolarHBondContact CB-O 3.43Å; C505-C566 WeakPolarHBondContact CA-SG 3.15Å; C505-C566 HydrophobicContact CB-CB 3.66Å; C505-C566 WeakPolarHBondContact CB-SG 3.43Å; C505-C566 WeakPolarHBondContact SG-CA 3.1Å; C505-C566 WeakPolarHBondContact SG-CB 3.1Å; C505-C566 CovalentContact SG-SG 2.03Å; C505-C566 PolarHBondContact SG-SG 2.83Å |
| 506 | R | 94.3 | Very high | 95.5 | Very high | 47 Ų | 47 | 27.2 Ų | 27.2 | 18% | 0.177 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -69.9 | -39.5 | 179 | -177.9 | 172.8 | 60 | -124.7 | 1 | 112.8 | R362 P371 S502 V503 V504 L508 G509 G538 E540 | R362-R506 VanDerWaalsContact NH2-CZ 3.27Å; P371-R506 HydrophobicContact CB-CG 3.78Å; P371-R506 WeakPolarHBondContact O-CD 3.5Å; P371-R506 WeakPolarHBondContact O-CG 3.39Å; S502-R506 VanDerWaalsContact O-CB 3.3Å; S502-R506 WeakPolarHBondContact O-CB 3.39Å; S502-R506 PolarHBondContact O-N 3.07Å; V503-R506 PolarHBondContact O-N 3.27Å; V504-R506 VanDerWaalsContact C-N 3.31Å; V504-R506 PolarHBondContact O-N 3.25Å; R506-L508 PolarHBondContact O-N 2.79Å; R506-G509 PolarHBondContact O-N 3.04Å; R506-G538 PolarHBondContact NH1-O 3.36Å; R506-G538 PolarHBondContact NH2-O 3.15Å; R506-E540 PolarHBondContact NH2-O 3.1Å |
| 507 | E | 94.8 | Very high | 95.5 | Very high | 46 Ų | 46 | 26.7 Ų | 26.7 | 22% | 0.215 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.8 | -39.3 | 174.6 | 179.2 | 170.7 | -167.1 | 0 | 0 | 111.1 | V467 V503 V504 G509 S542 I543 | V467-E507 WeakPolarHBondContact CG2-OE1 2.99Å; V467-E507 WeakPolarHBondContact CG2-OE2 3.39Å; V503-E507 WeakPolarHBondContact O-CB 3.24Å; V503-E507 PolarHBondContact O-N 2.84Å; V504-E507 PolarHBondContact O-N 3.47Å; E507-G509 PolarHBondContact O-N 2.88Å; E507-S542 VanDerWaalsContact OE1-CB 3.26Å; E507-S542 WeakPolarHBondContact OE1-CB 3.4Å; E507-S542 PolarHBondContact OE1-OG 3.02Å; E507-S542 WeakPolarHBondContact OE2-CA 3.2Å; E507-S542 PolarHBondContact OE2-OG 3.13Å; E507-I543 PolarHBondContact OE2-N 3.37Å |
| 508 | L | 92.8 | Very high | 95.6 | Very high | 21 Ų | 21 | 25.9 Ų | 25.9 | 11% | 0.11 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 4.1 | 175.7 | -65.5 | 168.7 | 0 | 0 | 0 | 114.2 | F449 V467 L469 V504 C505 R506 F510 | F449-L508 WeakPolarHBondContact CE1-O 3.47Å; F449-L508 WeakPolarHBondContact CZ-O 3.02Å; V467-L508 WeakPolarHBondContact O-CD2 3.36Å; L469-L508 HydrophobicContact CD1-CD1 3.69Å; L469-L508 HydrophobicContact CD2-CD1 3.89Å; L469-L508 HydrophobicContact CG-CD1 3.49Å; L469-L508 VanDerWaalsContact CG-CD1 3.49Å; V504-L508 HydrophobicContact CG1-CD1 3.84Å; V504-L508 WeakPolarHBondContact O-CG 3.31Å; V504-L508 PolarHBondContact O-N 3.01Å; C505-L508 PolarHBondContact O-N 2.81Å; R506-L508 PolarHBondContact O-N 2.79Å; L508-F510 HydrophobicContact CB-CD2 3.66Å; L508-F510 HydrophobicContact CB-CE2 3.75Å; L508-F510 HydrophobicContact CD1-CE2 4.45Å |
| 509 | G | 91.8 | Very high | 95.6 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 3% | 0.031 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 13.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | G448 C505 R506 E507 | G448-G509 WeakPolarHBondContact CA-O 3.38Å; C505-G509 PolarHBondContact O-N 2.85Å; R506-G509 PolarHBondContact O-N 3.04Å; E507-G509 PolarHBondContact O-N 2.88Å |
| 510 | F | 93.3 | Very high | 95.5 | Very high | 18 Ų | 18 | 29.5 Ų | 29.5 | 8% | 0.079 | 14% | 0.14 | C | C | . | . | trans | -91.8 | -175.2 | 168.7 | -54.3 | -70 | 0 | 0 | 0 | 111 | G369 P371 F451 I475 C505 L508 C566 V568 | G369-F510 CarbonylContact O-C 3.35Å; P371-F510 WeakPolarHBondContact CA-O 3.49Å; P371-F510 WeakPolarHBondContact CB-O 3.38Å; F451-F510 AromaticContact CE2-CD1 3.85Å; F451-F510 HydrophobicContact CE2-CD1 3.85Å; F451-F510 HydrophobicContact CE2-CE1 4.01Å; F451-F510 HydrophobicContact CZ-CD1 4.04Å; F451-F510 AromaticContact CZ-CE1 3.89Å; F451-F510 HydrophobicContact CZ-CE1 3.89Å; I475-F510 HydrophobicContact CG2-CE1 3.66Å; I475-F510 HydrophobicContact CG2-CZ 4.14Å; C505-F510 HydrophobicContact CB-CB 4.37Å; C505-F510 WeakPolarHBondContact O-CA 3.35Å; C505-F510 WeakPolarHBondContact O-CB 3.25Å; C505-F510 PolarHBondContact O-N 2.7Å; L508-F510 HydrophobicContact CB-CD2 3.66Å; L508-F510 HydrophobicContact CB-CE2 3.75Å; L508-F510 HydrophobicContact CD1-CE2 4.45Å; F510-C566 HydrophobicContact CB-CB 3.71Å; F510-C566 HydrophobicContact CD2-CB 4.2Å; F510-C566 HydrophobicContact CG-CB 4.02Å; F510-V568 HydrophobicContact CD1-CG2 3.98Å; F510-V568 HydrophobicContact CE1-CG2 4.29Å | ||
| 511 | G | 94.5 | Very high | 95.4 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | trans | -80.6 | -147.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | G366 G369 C505 N567 | G366-G511 CarbonylContact O-C 3.55Å; G366-G511 VanDerWaalsContact O-CA 3.24Å; G366-G511 WeakPolarHBondContact O-CA 3.35Å; G369-G511 VanDerWaalsContact C-CA 3.44Å; G369-G511 PolarHBondContact O-N 3.34Å; G369-G511 VanDerWaalsContact O-N 3.17Å; C505-G511 WeakPolarHBondContact CB-O 3.43Å; G511-N567 PolarHBondContact N-O 2.75Å | ||
| 512 | S | 95.6 | Very high | 95.2 | Very high | 11 Ų | 11 | 33.8 Ų | 33.8 | 8% | 0.077 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -72.4 | 161.5 | 170.5 | 56.5 | 0 | 0 | 0 | 0 | 111.1 | G366 M367 V417 N567 | G366-S512 VanDerWaalsContact C-OG 3.25Å; G366-S512 PolarHBondContact O-N 2.82Å; G366-S512 PolarHBondContact O-OG 2.96Å; M367-S512 PolarHBondContact N-OG 2.88Å; V417-S512 WeakPolarHBondContact O-CB 2.96Å; V417-S512 PolarHBondContact O-OG 2.82Å; S512-N567 WeakPolarHBondContact O-CB 3.4Å; S512-N567 PolarHBondContact O-N 3.32Å; S512-N567 PolarHBondContact O-ND2 2.92Å; S512-N567 VanDerWaalsContact O-ND2 3.12Å; S512-N567 PolarHBondContact OG-ND2 3.19Å; S512-N567 VanDerWaalsContact OG-ND2 3.09Å |
| 513 | A | 96.6 | Very high | 94.9 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 3% | 0.033 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 132.5 | 172 | 0 | 0 | 0 | 0 | 0 | 110.3 | L498 A501 S502 | L498-A513 HydrophobicContact CD2-CB 4.23Å; A501-A513 HydrophobicContact CB-CB 3.5Å; A501-A513 VanDerWaalsContact CB-CB 3.5Å; S502-A513 WeakPolarHBondContact OG-CB 3.44Å; S502-A513 PolarHBondContact OG-N 2.9Å |
| 514 | K | 94.6 | Very high | 94.7 | Very high | 133 Ų | 133 | 35.9 Ų | 35.9 | 58% | 0.578 | 17% | 0.17 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -76 | -44.3 | 166.5 | -173.2 | -174.3 | 173.3 | -170.6 | 0 | 110.2 | R565 | K514-R565 WeakPolarHBondContact CA-O 3.42Å; K514-R565 WeakPolarHBondContact CB-O 3.33Å; K514-R565 PolarHBondContact N-O 3.11Å |
| 515 | E | 96.4 | Very high | 94.4 | Very high | 63 Ų | 63 | 35.9 Ų | 35.9 | 29% | 0.294 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 140.4 | -178.4 | -68.7 | 165.4 | -144.1 | 0 | 0 | 110.8 | L517 R565 | E515-L517 HydrophobicContact CB-CD2 4.04Å; E515-L517 HydrophobicContact CB-CG 4.42Å; E515-R565 HydrophobicContact CB-CB 4.17Å; E515-R565 HydrophobicContact CB-CG 4.42Å; E515-R565 PolarHBondContact N-O 2.64Å; E515-R565 PolarHBondContact O-N 3.15Å; E515-R565 IonicContact OE1-NH1 3.91Å; E515-R565 WeakPolarHBondContact OE2-CD 3.27Å; E515-R565 IonicContact OE2-CZ 2.82Å; E515-R565 IonicContact OE2-NE 3.59Å; E515-R565 IonicContact OE2-NH1 3.78Å; E515-R565 PolarHBondContact OE2-NH1 3.2Å |
| 516 | A | 97.2 | Very high | 94 | Very high | 29 Ų | 29 | 38.1 Ų | 38.1 | 24% | 0.24 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 107 | 168.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | D497 L498 A501 | D497-A516 WeakPolarHBondContact O-CB 3.32Å; L498-A516 HydrophobicContact CD2-CB 4.08Å; L498-A516 HydrophobicContact CG-CB 4.33Å; A501-A516 HydrophobicContact CB-CB 3.77Å |
| 517 | L | 97.4 | Very high | 93.7 | Very high | 9 Ų | 9 | 38.4 Ų | 38.4 | 5% | 0.047 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 140.8 | -172.6 | -58.8 | 178.1 | 0 | 0 | 0 | 110.6 | E515 Q521 L522 V562 A563 R565 | E515-L517 HydrophobicContact CB-CD2 4.04Å; E515-L517 HydrophobicContact CB-CG 4.42Å; L517-Q521 HydrophobicContact CB-CB 4.38Å; L517-L522 HydrophobicContact CD1-CD1 3.77Å; L517-L522 HydrophobicContact CD1-CD2 4.37Å; L517-L522 HydrophobicContact CD1-CG 3.78Å; L517-V562 WeakPolarHBondContact O-CA 3.41Å; L517-A563 HydrophobicContact CB-CB 3.85Å; L517-A563 WeakPolarHBondContact CB-O 3.36Å; L517-A563 HydrophobicContact CD1-CB 4.18Å; L517-A563 PolarHBondContact N-O 3.42Å; L517-A563 PolarHBondContact O-N 2.87Å; L517-R565 HydrophobicContact CD1-CG 3.87Å; L517-R565 HydrophobicContact CG-CG 4.48Å |
| 518 | T | 97 | Very high | 93.4 | Very high | 41 Ų | 41 | 38 Ų | 38 | 25% | 0.252 | 20% | 0.203 | S | C | . | . | trans | -123.7 | 174.5 | -178.7 | 60.5 | 0 | 0 | 0 | 0 | 110.7 | D493 W496 A520 Q521 | D493-T518 HydrophobicContact CB-CG2 3.86Å; W496-T518 HydrophobicContact CB-CG2 4.33Å; T518-A520 VanDerWaalsContact C-N 3.34Å; T518-A520 PolarHBondContact O-N 2.02Å; T518-Q521 VanDerWaalsContact O-CG 3.24Å; T518-Q521 WeakPolarHBondContact O-CG 3.35Å; T518-Q521 PolarHBondContact O-N 2.99Å; T518-Q521 PolarHBondContact O-NE2 3.1Å | ||
| 519 | R | 94 | Very high | 93.4 | Very high | 178 Ų | 178 | 38.4 Ų | 38.4 | 67% | 0.672 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 39.7 | 176.8 | -55.8 | -177.1 | -66.7 | 128.4 | -0.9 | 114.9 | D493 Q521 T559 | D493-R519 PolarHBondContact OD2-N 3.06Å; R519-Q521 PolarHBondContact O-N 3.16Å; R519-Q521 VanDerWaalsContact O-N 3.08Å; R519-T559 CarbonylContact C-O 3.31Å; R519-T559 WeakPolarHBondContact CA-O 2.89Å |
| 520 | A | 93.5 | Very high | 93.5 | Very high | 10 Ų | 10 | 39.6 Ų | 39.6 | 8% | 0.083 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 36.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | T518 L522 G523 Q524 H558 D561 | T518-A520 VanDerWaalsContact C-N 3.34Å; T518-A520 PolarHBondContact O-N 2.02Å; A520-L522 PolarHBondContact O-N 3.06Å; A520-G523 PolarHBondContact O-N 3.41Å; A520-Q524 HydrophobicContact CB-CG 3.76Å; A520-H558 WeakPolarHBondContact CB-O 2.81Å; A520-D561 VanDerWaalsContact CA-O 3.27Å; A520-D561 WeakPolarHBondContact CA-O 3.37Å; A520-D561 HydrophobicContact CB-CB 4.33Å; A520-D561 PolarHBondContact N-O 3.34Å |
| 521 | Q | 94.4 | Very high | 93.5 | Very high | 83 Ų | 83 | 38.8 Ų | 38.8 | 39% | 0.388 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -22.1 | -177.7 | -86.7 | 175.6 | 65.2 | 0 | 0 | 114.5 | L517 T518 R519 L751 | L517-Q521 HydrophobicContact CB-CB 4.38Å; T518-Q521 VanDerWaalsContact O-CG 3.24Å; T518-Q521 WeakPolarHBondContact O-CG 3.35Å; T518-Q521 PolarHBondContact O-N 2.99Å; T518-Q521 PolarHBondContact O-NE2 3.1Å; R519-Q521 PolarHBondContact O-N 3.16Å; R519-Q521 VanDerWaalsContact O-N 3.08Å; Q521-L751 WeakPolarHBondContact O-CD1 3.38Å |
| 522 | L | 93.4 | Very high | 93.5 | Very high | 7 Ų | 7 | 39.4 Ų | 39.4 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 33.1 | 174.3 | -62.1 | -173.9 | 0 | 0 | 0 | 112.4 | A471 E477 L517 A520 A563 | A471-L522 VanDerWaalsContact CB-O 3.29Å; A471-L522 WeakPolarHBondContact CB-O 3.21Å; E477-L522 HydrophobicContact CB-CD1 4.18Å; L517-L522 HydrophobicContact CD1-CD1 3.77Å; L517-L522 HydrophobicContact CD1-CD2 4.37Å; L517-L522 HydrophobicContact CD1-CG 3.78Å; A520-L522 PolarHBondContact O-N 3.06Å; L522-A563 HydrophobicContact CB-CB 3.87Å; L522-A563 HydrophobicContact CD1-CB 3.95Å; L522-A563 HydrophobicContact CG-CB 3.95Å |
| 523 | G | 91.3 | Very high | 93.4 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | trans | 92.8 | 156.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R479 A520 M749 | R479-G523 WeakPolarHBondContact CD-O 3.32Å; R479-G523 VanDerWaalsContact NH1-C 3.32Å; R479-G523 PolarHBondContact NH1-O 3.24Å; R479-G523 VanDerWaalsContact NH1-O 3.16Å; A520-G523 PolarHBondContact O-N 3.41Å; G523-M749 WeakPolarHBondContact CA-O 3.36Å | ||
| 524 | Q | 92.3 | Very high | 93.3 | Very high | 45 Ų | 45 | 39.2 Ų | 39.2 | 21% | 0.21 | 21% | 0.207 | C | C | . | . | trans | -88.8 | 144.2 | -178.3 | -62.9 | -176.3 | 170.1 | 0 | 0 | 111.2 | R479 A520 H558 T559 M749 | R479-Q524 PolarHBondContact NH1-O 2.87Å; A520-Q524 HydrophobicContact CB-CG 3.76Å; Q524-H558 HydrophobicContact CB-CB 4.21Å; Q524-T559 VanDerWaalsContact OE1-CG2 3.32Å; Q524-M749 HydrophobicContact CB-CB 4.33Å; Q524-M749 HydrophobicContact CB-CE 4.47Å; Q524-M749 HydrophobicContact CB-SD 4.09Å; Q524-M749 PolarHBondContact N-O 2.82Å; Q524-M749 VanDerWaalsContact N-O 3.1Å; Q524-M749 PolarHBondContact NE2-SD 2.65Å | ||
| 525 | G | 91.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | trans | -84.4 | -175.7 | 169 | 0 | 0 | 0 | 0 | 0 | 112.7 | H558 D561 | G525-H558 PolarHBondContact O-CD2 3.1Å; G525-H558 VanDerWaalsContact O-CG 3.3Å; G525-D561 WeakPolarHBondContact CA-OD2 3.47Å; G525-D561 PolarHBondContact N-OD2 3.38Å | ||
| 526 | T | 88.4 | Confident | 93.3 | Very high | 47 Ų | 47 | 35.2 Ų | 35.2 | 29% | 0.288 | 19% | 0.192 | S | C | . | . | trans | -134.9 | 163.1 | 171.7 | 62.9 | 0 | 0 | 0 | 0 | 110.4 | V694 M747 M749 | T526-V694 HydrophobicContact CG2-CB 4.27Å; T526-V694 HydrophobicContact CG2-CG1 3.89Å; T526-V694 HydrophobicContact CG2-CG2 4.33Å; T526-M747 HydrophobicContact CG2-CE 4.32Å; T526-M749 HydrophobicContact CG2-CE 3.92Å; T526-M749 HydrophobicContact CG2-CG 4.47Å | ||
| 527 | G | 86.6 | Confident | 93.1 | Very high | 52 Ų | 52 | 37.8 Ų | 37.8 | 54% | 0.536 | 21% | 0.205 | S | C | . | . | S | Bend | trans | 83.1 | -143.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | H558 | G527-H558 PolarHBondContact N-NE2 3.43Å; G527-H558 PolarHBondContact O-NE2 2.91Å; G527-H558 VanDerWaalsContact O-NE2 3.08Å |
| 528 | P | 90.3 | Very high | 92.8 | Very high | 38 Ų | 38 | 37.6 Ų | 37.6 | 25% | 0.247 | 21% | 0.205 | C | C | . | . | trans | -78.3 | 147.9 | -174.2 | 31.7 | -34.1 | 0 | 0 | 0 | 112.6 | K487 G489 T490 | K487-P528 HydrophobicContact CD-CG 4.02Å; K487-P528 HydrophobicContact CG-CG 4.29Å; G489-P528 CarbonylContact C-O 3.47Å; G489-P528 WeakPolarHBondContact CA-O 3.47Å; T490-P528 PolarHBondContact N-O 3.5Å | ||
| 529 | I | 92.7 | Very high | 92.5 | Very high | 29 Ų | 29 | 44 Ų | 44 | 15% | 0.149 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 109.3 | 166.1 | -50.1 | -178.4 | 0 | 0 | 0 | 107 | T490 C492 V551 C556 | T490-I529 CarbonylContact O-C 3.58Å; C492-I529 HydrophobicContact CB-CG2 4.01Å; I529-V551 HydrophobicContact CG2-CG2 4.18Å; I529-V551 WeakPolarHBondContact O-CB 3.39Å; I529-V551 VanDerWaalsContact O-CG2 3.31Å; I529-V551 WeakPolarHBondContact O-CG2 3.38Å; I529-C556 HydrophobicContact CD1-CB 3.97Å |
| 530 | H | 93.2 | Very high | 92.5 | Very high | 29 Ų | 29 | 36.7 Ų | 36.7 | 13% | 0.134 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -29.7 | -167.9 | -77.4 | -41.1 | 0 | 0 | 0 | 114.2 | V482 K484 K487 G489 T490 | V482-H530 PolarHBondContact O-CD2 2.76Å; K484-H530 HydrophobicContact CD-CB 4.49Å; K487-H530 PolarHBondContact O-NE2 3.39Å; G489-H530 WeakPolarHBondContact CA-CD2 3.18Å; G489-H530 PolarHBondContact N-CD2 3.47Å; G489-H530 PolarHBondContact N-NE2 3.03Å; T490-H530 PolarHBondContact O-N 3.18Å |
| 531 | M | 93.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 146.2 | -170.5 | -53.9 | 172.6 | 75 | 0 | 0 | 111.2 | V482 V491 C492 V534 I543 L544 Y548 V551 | V482-M531 HydrophobicContact CB-SD 4.32Å; V482-M531 HydrophobicContact CG1-SD 4.16Å; V482-M531 HydrophobicContact CG2-SD 3.96Å; V491-M531 HydrophobicContact CB-CB 4.46Å; V491-M531 HydrophobicContact CG1-CB 4.05Å; V491-M531 HydrophobicContact CG2-CB 4.08Å; V491-M531 HydrophobicContact CG2-CG 4.37Å; V491-M531 HydrophobicContact CG2-SD 4Å; C492-M531 WeakPolarHBondContact CB-O 3.44Å; C492-M531 PolarHBondContact N-O 3.31Å; M531-V534 HydrophobicContact CB-CG2 3.96Å; M531-V534 HydrophobicContact CE-CG1 4.46Å; M531-V534 HydrophobicContact CE-CG2 4.03Å; M531-I543 HydrophobicContact CE-CD1 4.36Å; M531-I543 HydrophobicContact CE-CG1 4.03Å; M531-I543 HydrophobicContact SD-CD1 4.46Å; M531-L544 HydrophobicContact SD-CD2 4.32Å; M531-Y548 HydrophobicContact CB-CD2 4Å; M531-Y548 HydrophobicContact CB-CG 4.4Å; M531-Y548 HydrophobicContact CE-CD1 3.43Å; M531-Y548 VanDerWaalsContact CE-CD1 3.43Å; M531-Y548 HydrophobicContact CE-CD2 4.1Å; M531-Y548 HydrophobicContact CE-CE1 3.83Å; M531-Y548 HydrophobicContact CE-CE2 4.45Å; M531-Y548 HydrophobicContact CE-CG 3.59Å; M531-Y548 HydrophobicContact CG-CD2 3.88Å; M531-Y548 HydrophobicContact CG-CE2 3.97Å; M531-Y548 HydrophobicContact CG-CG 4.32Å; M531-V551 VanDerWaalsContact C-CG2 3.48Å |
| 532 | N | 92.9 | Very high | 92.3 | Very high | 15 Ų | 15 | 43.3 Ų | 43.3 | 8% | 0.08 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 153.4 | 174.5 | 178.9 | 21.8 | 0 | 0 | 0 | 109.6 | C492 H494 V534 K549 V551 | C492-N532 HydrophobicContact CB-CB 3.93Å; H494-N532 VanDerWaalsContact CB-OD1 3.29Å; H494-N532 WeakPolarHBondContact CB-OD1 3.43Å; H494-N532 PolarHBondContact ND1-ND2 3.28Å; H494-N532 PolarHBondContact ND1-OD1 3.01Å; N532-V534 VanDerWaalsContact C-N 3.29Å; N532-V534 PolarHBondContact O-N 3.41Å; N532-K549 PolarHBondContact N-O 2.91Å; N532-K549 PolarHBondContact O-N 3.42Å; N532-V551 HydrophobicContact CB-CG2 3.6Å |
| 533 | S | 93.8 | Very high | 92.5 | Very high | 10 Ų | 10 | 43 Ų | 43 | 7% | 0.07 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 55.3 | 44.6 | 176.5 | -55.3 | 0 | 0 | 0 | 0 | 112.7 | H494 Q535 | H494-S533 WeakPolarHBondContact O-CA 3.46Å; H494-S533 PolarHBondContact O-N 2.88Å; S533-Q535 PolarHBondContact O-N 3.22Å |
| 534 | V | 95.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 119.6 | -177.2 | -176.3 | 0 | 0 | 0 | 0 | 109.3 | V491 W496 A500 M531 N532 I543 C546 | V491-V534 HydrophobicContact CG1-CG2 3.69Å; W496-V534 HydrophobicContact CE3-CB 4.29Å; W496-V534 HydrophobicContact CZ3-CB 4.23Å; W496-V534 HydrophobicContact CZ3-CG1 4.29Å; A500-V534 HydrophobicContact CB-CG1 4.19Å; M531-V534 HydrophobicContact CB-CG2 3.96Å; M531-V534 HydrophobicContact CE-CG1 4.46Å; M531-V534 HydrophobicContact CE-CG2 4.03Å; N532-V534 VanDerWaalsContact C-N 3.29Å; N532-V534 PolarHBondContact O-N 3.41Å; V534-I543 HydrophobicContact CG1-CD1 4.23Å; V534-I543 HydrophobicContact CG1-CG1 3.98Å; V534-C546 HydrophobicContact CG1-CB 4.06Å |
| 535 | Q | 95.5 | Very high | 92.7 | Very high | 100 Ų | 100 | 48 Ų | 48 | 47% | 0.467 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 107 | -179.5 | -71.7 | 170.7 | 91.1 | 0 | 0 | 109 | L495 S533 V547 | L495-Q535 HydrophobicContact CD1-CG 4.38Å; S533-Q535 PolarHBondContact O-N 3.22Å; Q535-V547 PolarHBondContact N-O 3.09Å; Q535-V547 PolarHBondContact O-N 3.38Å |
| 536 | C | 95.7 | Very high | 92.9 | Very high | 11 Ų | 11 | 48.3 Ų | 48.3 | 7% | 0.074 | 25% | 0.247 | C | C | . | . | trans | -104.2 | 142.9 | 177.5 | -60.4 | 0 | 0 | 0 | 0 | 110.4 | A500 V503 G538 C546 | A500-C536 VanDerWaalsContact CA-SG 3.53Å; A500-C536 HydrophobicContact CB-CB 4.12Å; V503-C536 HydrophobicContact CG2-CB 3.9Å; C536-G538 VanDerWaalsContact C-N 3.28Å; C536-C546 HydrophobicContact CB-CB 4.05Å; C536-C546 WeakPolarHBondContact CB-SG 3.07Å; C536-C546 WeakPolarHBondContact SG-CB 3.43Å; C536-C546 CovalentContact SG-SG 2.03Å; C536-C546 PolarHBondContact SG-SG 3.14Å | ||
| 537 | T | 93.3 | Very high | 93.3 | Very high | 84 Ų | 84 | 51.1 Ų | 51.1 | 52% | 0.515 | 26% | 0.264 | S | S | . | . | trans | -76.4 | -19.2 | 170.2 | 65.1 | 0 | 0 | 0 | 0 | 112.5 | R539 E540 | T537-R539 PolarHBondContact OG1-N 2.63Å; T537-E540 WeakPolarHBondContact CB-OE1 3.02Å; T537-E540 WeakPolarHBondContact CG2-OE1 3Å; T537-E540 PolarHBondContact N-OE1 3.09Å; T537-E540 PolarHBondContact N-OE2 3.2Å; T537-E540 PolarHBondContact OG1-OE1 3.09Å; T537-E540 PolarHBondContact OG1-OE2 2.99Å | ||
| 538 | G | 89.9 | Confident | 93.7 | Very high | 5 Ų | 5 | 51.7 Ų | 51.7 | 5% | 0.052 | 25% | 0.25 | C | S | . | . | S | Bend | trans | 94.8 | -4.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | R506 C536 E540 | R506-G538 PolarHBondContact NH1-O 3.36Å; R506-G538 PolarHBondContact NH2-O 3.15Å; C536-G538 VanDerWaalsContact C-N 3.28Å; G538-E540 WeakPolarHBondContact CA-OE2 3.43Å; G538-E540 PolarHBondContact N-OE2 3.01Å |
| 539 | R | 90.3 | Very high | 93.7 | Very high | 174 Ų | 174 | 56 Ų | 56 | 66% | 0.657 | 27% | 0.265 | S | S | * | . | trans | -93.6 | -17.5 | 177.3 | -63.5 | -168.2 | 173.6 | 140.5 | 6.3 | 114.1 | L415 T537 | L415-R539 HydrophobicContact CD2-CG 3.25Å; T537-R539 PolarHBondContact OG1-N 2.63Å | ||
| 540 | E | 94.4 | Very high | 93.4 | Very high | 25 Ų | 25 | 61.6 Ų | 61.6 | 12% | 0.117 | 29% | 0.29 | C | S | . | . | trans | -57.7 | 148.2 | -176.2 | -62.6 | 83.5 | -176.8 | 0 | 0 | 111.2 | V503 R506 T537 G538 D545 | V503-E540 HydrophobicContact CG1-CB 4.03Å; V503-E540 HydrophobicContact CG2-CB 4.17Å; R506-E540 PolarHBondContact NH2-O 3.1Å; T537-E540 WeakPolarHBondContact CB-OE1 3.02Å; T537-E540 WeakPolarHBondContact CG2-OE1 3Å; T537-E540 PolarHBondContact N-OE1 3.09Å; T537-E540 PolarHBondContact N-OE2 3.2Å; T537-E540 PolarHBondContact OG1-OE1 3.09Å; T537-E540 PolarHBondContact OG1-OE2 2.99Å; G538-E540 WeakPolarHBondContact CA-OE2 3.43Å; G538-E540 PolarHBondContact N-OE2 3.01Å; E540-D545 HydrophobicContact CB-CB 4.07Å; E540-D545 HydrophobicContact CG-CB 4.06Å | ||
| 541 | R | 91.3 | Very high | 92.9 | Very high | 218 Ų | 218 | 61.9 Ų | 61.9 | 82% | 0.823 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -89.8 | -31.3 | 176.8 | -68 | -175.5 | 179.9 | -170.3 | 0.2 | 111.3 | D545 | R541-D545 PolarHBondContact N-OD2 3.33Š|
| 542 | S | 93.8 | Very high | 92.1 | Very high | 15 Ų | 15 | 65.6 Ų | 65.6 | 11% | 0.105 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -127.1 | 151.5 | 173.5 | 179.3 | 0 | 0 | 0 | 0 | 111.2 | V503 E507 L544 D545 | V503-S542 VanDerWaalsContact CG1-C 3.49Å; E507-S542 VanDerWaalsContact OE1-CB 3.26Å; E507-S542 WeakPolarHBondContact OE1-CB 3.4Å; E507-S542 PolarHBondContact OE1-OG 3.02Å; E507-S542 WeakPolarHBondContact OE2-CA 3.2Å; E507-S542 PolarHBondContact OE2-OG 3.13Å; S542-L544 PolarHBondContact O-N 2.87Å; S542-L544 PolarHBondContact OG-N 3.26Å; S542-D545 PolarHBondContact N-OD2 3.01Å; S542-D545 VanDerWaalsContact N-OD2 3.14Å; S542-D545 WeakPolarHBondContact O-CB 3.41Å; S542-D545 PolarHBondContact O-N 2.78Å; S542-D545 VanDerWaalsContact O-N 3.07Å |
| 543 | I | 95.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -58.7 | -27 | 170.6 | -166.7 | 179.6 | 0 | 0 | 0 | 111.9 | V467 V482 W496 V504 E507 M531 V534 D545 C546 | V467-I543 HydrophobicContact CG2-CG2 3.56Å; V482-I543 HydrophobicContact CG2-CG2 4.07Å; W496-I543 HydrophobicContact CH2-CD1 3.94Å; W496-I543 HydrophobicContact CZ3-CD1 3.88Å; V504-I543 HydrophobicContact CG2-CB 4.01Å; V504-I543 HydrophobicContact CG2-CD1 3.61Å; V504-I543 HydrophobicContact CG2-CG1 4.16Å; E507-I543 PolarHBondContact OE2-N 3.37Å; M531-I543 HydrophobicContact CE-CD1 4.36Å; M531-I543 HydrophobicContact CE-CG1 4.03Å; M531-I543 HydrophobicContact SD-CD1 4.46Å; V534-I543 HydrophobicContact CG1-CD1 4.23Å; V534-I543 HydrophobicContact CG1-CG1 3.98Å; I543-D545 PolarHBondContact O-N 2.87Å; I543-C546 WeakPolarHBondContact O-CB 3.49Å; I543-C546 PolarHBondContact O-N 2.92Å; I543-C546 VanDerWaalsContact O-N 3.15Å |
| 544 | L | 93.6 | Very high | 89.3 | Confident | 48 Ų | 48 | 82 Ų | 82 | 25% | 0.251 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -68.1 | -19.7 | 177.6 | -68.3 | 174.1 | 0 | 0 | 0 | 113.3 | L466 V482 M531 S542 C546 | L466-L544 HydrophobicContact CB-CD1 3.97Å; L466-L544 HydrophobicContact CD1-CD1 3.8Å; L466-L544 HydrophobicContact CG-CD1 4.4Å; V482-L544 HydrophobicContact CG1-CD1 4.35Å; V482-L544 HydrophobicContact CG1-CD2 3.52Å; V482-L544 HydrophobicContact CG1-CG 4.01Å; M531-L544 HydrophobicContact SD-CD2 4.32Å; S542-L544 PolarHBondContact O-N 2.87Å; S542-L544 PolarHBondContact OG-N 3.26Å; L544-C546 VanDerWaalsContact C-N 3.34Å |
| 545 | D | 95.3 | Very high | 88.4 | Confident | 106 Ų | 106 | 85 Ų | 85 | 57% | 0.567 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -82.4 | -13.8 | 175.5 | -57 | -37.6 | 0 | 0 | 0 | 112.3 | E540 R541 S542 I543 | E540-D545 HydrophobicContact CB-CB 4.07Å; E540-D545 HydrophobicContact CG-CB 4.06Å; R541-D545 PolarHBondContact N-OD2 3.33Å; S542-D545 PolarHBondContact N-OD2 3.01Å; S542-D545 VanDerWaalsContact N-OD2 3.14Å; S542-D545 WeakPolarHBondContact O-CB 3.41Å; S542-D545 PolarHBondContact O-N 2.78Å; S542-D545 VanDerWaalsContact O-N 3.07Å; I543-D545 PolarHBondContact O-N 2.87Å |
| 546 | C | 95.7 | Very high | 88.1 | Confident | 7 Ų | 7 | 80.9 Ų | 80.9 | 5% | 0.047 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -73.4 | 160.7 | -179.9 | -59.5 | 0 | 0 | 0 | 0 | 111.5 | V534 C536 I543 L544 Y548 | V534-C546 HydrophobicContact CG1-CB 4.06Å; C536-C546 HydrophobicContact CB-CB 4.05Å; C536-C546 WeakPolarHBondContact CB-SG 3.07Å; C536-C546 WeakPolarHBondContact SG-CB 3.43Å; C536-C546 CovalentContact SG-SG 2.03Å; C536-C546 PolarHBondContact SG-SG 3.14Å; I543-C546 WeakPolarHBondContact O-CB 3.49Å; I543-C546 PolarHBondContact O-N 2.92Å; I543-C546 VanDerWaalsContact O-N 3.15Å; L544-C546 VanDerWaalsContact C-N 3.34Å; C546-Y548 WeakPolarHBondContact O-CD1 3.06Å; C546-Y548 PolarHBondContact O-N 3.27Å |
| 547 | V | 96.4 | Very high | 87.8 | Confident | 105 Ų | 105 | 87.4 Ų | 87.4 | 64% | 0.636 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 122.6 | 172.5 | 179.8 | 0 | 0 | 0 | 0 | 108.4 | Q535 | Q535-V547 PolarHBondContact N-O 3.09Å; Q535-V547 PolarHBondContact O-N 3.38Å |
| 548 | Y | 94.3 | Very high | 87.7 | Confident | 65 Ų | 65 | 85.2 Ų | 85.2 | 26% | 0.255 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 158.6 | 176.6 | 68.1 | -87.9 | 0 | 0 | 0 | 111.4 | K484 M531 C546 | K484-Y548 PolarHBondContact NZ-OH 3.32Å; M531-Y548 HydrophobicContact CB-CD2 4Å; M531-Y548 HydrophobicContact CB-CG 4.4Å; M531-Y548 HydrophobicContact CE-CD1 3.43Å; M531-Y548 VanDerWaalsContact CE-CD1 3.43Å; M531-Y548 HydrophobicContact CE-CD2 4.1Å; M531-Y548 HydrophobicContact CE-CE1 3.83Å; M531-Y548 HydrophobicContact CE-CE2 4.45Å; M531-Y548 HydrophobicContact CE-CG 3.59Å; M531-Y548 HydrophobicContact CG-CD2 3.88Å; M531-Y548 HydrophobicContact CG-CE2 3.97Å; M531-Y548 HydrophobicContact CG-CG 4.32Å; C546-Y548 WeakPolarHBondContact O-CD1 3.06Å; C546-Y548 PolarHBondContact O-N 3.27Å |
| 549 | K | 90.6 | Very high | 87.7 | Confident | 128 Ų | 128 | 88.4 Ų | 88.4 | 56% | 0.557 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 138.2 | 172.7 | -65.5 | -179.5 | -178 | 173 | 0 | 109.5 | N532 | N532-K549 PolarHBondContact N-O 2.91Å; N532-K549 PolarHBondContact O-N 3.42Å |
| 550 | Q | 86.8 | Confident | 87.9 | Confident | 146 Ų | 146 | 82.2 Ų | 82.2 | 68% | 0.682 | 40% | 0.398 | S | S | * | . | trans | -63.9 | 149 | 164.4 | -64.5 | -171.5 | -8 | 0 | 0 | 109.2 | P552 | Q550-P552 VanDerWaalsContact O-CD 3.3Å; Q550-P552 WeakPolarHBondContact O-CD 3.4Å | ||
| 551 | V | 82.6 | Confident | 88 | Confident | 35 Ų | 35 | 81 Ų | 81 | 21% | 0.212 | 39% | 0.393 | C | S | . | . | trans | -96.4 | 110.3 | -174.4 | -166.3 | 0 | 0 | 0 | 0 | 109.1 | I529 M531 N532 T555 C556 | I529-V551 HydrophobicContact CG2-CG2 4.18Å; I529-V551 WeakPolarHBondContact O-CB 3.39Å; I529-V551 VanDerWaalsContact O-CG2 3.31Å; I529-V551 WeakPolarHBondContact O-CG2 3.38Å; M531-V551 VanDerWaalsContact C-CG2 3.48Å; N532-V551 HydrophobicContact CB-CG2 3.6Å; V551-T555 WeakPolarHBondContact CG1-OG1 3.46Å; V551-C556 HydrophobicContact CG1-CB 4Å | ||
| 552 | P | 75.8 | Confident | 88.3 | Confident | 80 Ų | 80 | 70.7 Ų | 70.7 | 52% | 0.519 | 35% | 0.354 | S | S | . | . | trans | -65.4 | 148.6 | 169.5 | -15.3 | 29.2 | 0 | 0 | 0 | 110.1 | Q550 Y554 T555 | Q550-P552 VanDerWaalsContact O-CD 3.3Å; Q550-P552 WeakPolarHBondContact O-CD 3.4Å; P552-Y554 PolarHBondContact O-N 2.79Å; P552-T555 HydrophobicContact CB-CG2 3.81Å; P552-T555 WeakPolarHBondContact CD-OG1 3.5Å; P552-T555 HydrophobicContact CG-CG2 4Å; P552-T555 PolarHBondContact O-N 2.84Å; P552-T555 PolarHBondContact O-OG1 2.03Å | ||
| 553 | L | 63.4 | Low | 88.5 | Confident | 147 Ų | 147 | 70 Ų | 70 | 77% | 0.77 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | 138.4 | 175.6 | -64.8 | 169.7 | 0 | 0 | 0 | 110.3 | T555 | L553-T555 VanDerWaalsContact C-N 3.29Å; L553-T555 PolarHBondContact O-N 2.98Å |
| 554 | Y | 65.1 | Low | 88.6 | Confident | 221 Ų | 221 | 70 Ų | 70 | 87% | 0.867 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 4.4 | 177.2 | -42.5 | -75.7 | 0 | 0 | 0 | 117.3 | P552 | P552-Y554 PolarHBondContact O-N 2.79Š|
| 555 | T | 78.1 | Confident | 88.7 | Confident | 65 Ų | 65 | 70.6 Ų | 70.6 | 40% | 0.399 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -86.7 | -22.9 | 179.1 | 59.7 | 0 | 0 | 0 | 0 | 114.6 | V551 P552 L553 | V551-T555 WeakPolarHBondContact CG1-OG1 3.46Å; P552-T555 HydrophobicContact CB-CG2 3.81Å; P552-T555 WeakPolarHBondContact CD-OG1 3.5Å; P552-T555 HydrophobicContact CG-CG2 4Å; P552-T555 PolarHBondContact O-N 2.84Å; P552-T555 PolarHBondContact O-OG1 2.03Å; L553-T555 VanDerWaalsContact C-N 3.29Å; L553-T555 PolarHBondContact O-N 2.98Å |
| 556 | C | 87.2 | Confident | 88.7 | Confident | 14 Ų | 14 | 66 Ų | 66 | 10% | 0.095 | 33% | 0.325 | C | S | . | . | trans | -136.7 | 146.7 | 177.7 | -166.3 | 0 | 0 | 0 | 0 | 109.8 | C492 I529 V551 | C492-C556 HydrophobicContact CB-CB 3.94Å; C492-C556 WeakPolarHBondContact CB-SG 3.33Å; C492-C556 WeakPolarHBondContact SG-CB 3Å; C492-C556 CovalentContact SG-SG 2.04Å; C492-C556 PolarHBondContact SG-SG 2.84Å; I529-C556 HydrophobicContact CD1-CB 3.97Å; V551-C556 HydrophobicContact CG1-CB 4Å | ||
| 557 | K | 89.6 | Confident | 88.7 | Confident | 148 Ų | 148 | 67.4 Ų | 67.4 | 64% | 0.643 | 33% | 0.331 | S | S | * | . | trans | -117.8 | 158.6 | 176.8 | -62.8 | -179.1 | -179 | 180 | 0 | 109.8 | T559 Q560 | K557-T559 PolarHBondContact O-N 2.76Å; K557-T559 VanDerWaalsContact O-N 3.08Å; K557-Q560 WeakPolarHBondContact O-CA 3.5Å; K557-Q560 VanDerWaalsContact O-CB 3.29Å; K557-Q560 WeakPolarHBondContact O-CB 3.17Å; K557-Q560 PolarHBondContact O-N 2.7Å | ||
| 558 | H | 91.3 | Very high | 88.4 | Confident | 37 Ų | 37 | 63.9 Ų | 63.9 | 17% | 0.171 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -62.9 | -15.9 | 176.9 | -73.4 | -59.7 | 0 | 0 | 0 | 114.6 | T490 A520 Q524 G525 G527 Q560 D561 | T490-H558 PolarHBondContact OG1-ND1 3.3Å; A520-H558 WeakPolarHBondContact CB-O 2.81Å; Q524-H558 HydrophobicContact CB-CB 4.21Å; G525-H558 PolarHBondContact O-CD2 3.1Å; G525-H558 VanDerWaalsContact O-CG 3.3Å; G527-H558 PolarHBondContact N-NE2 3.43Å; G527-H558 PolarHBondContact O-NE2 2.91Å; G527-H558 VanDerWaalsContact O-NE2 3.08Å; H558-Q560 PolarHBondContact O-N 3.36Å; H558-Q560 VanDerWaalsContact O-N 3.1Å; H558-D561 WeakPolarHBondContact CB-OD2 3.46Å; H558-D561 IonicContact CG-OD2 3.04Å; H558-D561 IonicContact ND1-OD1 2.69Å; H558-D561 PolarHBondContact ND1-OD1 3.49Å; H558-D561 IonicContact ND1-OD2 3.85Å; H558-D561 PolarHBondContact ND1-OD2 3.2Å; H558-D561 VanDerWaalsContact O-CG 3.31Å; H558-D561 PolarHBondContact O-N 3.11Å |
| 559 | T | 91.2 | Very high | 88.1 | Confident | 72 Ų | 72 | 60.8 Ų | 60.8 | 44% | 0.442 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -62.4 | -11.4 | 167.3 | 55.6 | 0 | 0 | 0 | 0 | 113.1 | R519 Q524 K557 | R519-T559 CarbonylContact C-O 3.31Å; R519-T559 WeakPolarHBondContact CA-O 2.89Å; Q524-T559 VanDerWaalsContact OE1-CG2 3.32Å; K557-T559 PolarHBondContact O-N 2.76Å; K557-T559 VanDerWaalsContact O-N 3.08Å |
| 560 | Q | 93.8 | Very high | 87.5 | Confident | 44 Ų | 44 | 59.1 Ų | 59.1 | 21% | 0.206 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -114.1 | 15.1 | -178.6 | -59.4 | -179.2 | -95.1 | 0 | 0 | 112.3 | D493 H494 K557 H558 | D493-Q560 VanDerWaalsContact CB-O 3.23Å; D493-Q560 WeakPolarHBondContact CB-O 3.48Å; D493-Q560 PolarHBondContact N-O 2.77Å; D493-Q560 PolarHBondContact OD1-NE2 2.77Å; H494-Q560 PolarHBondContact NE2-NE2 2.84Å; H494-Q560 VanDerWaalsContact NE2-NE2 3.11Å; K557-Q560 WeakPolarHBondContact O-CA 3.5Å; K557-Q560 VanDerWaalsContact O-CB 3.29Å; K557-Q560 WeakPolarHBondContact O-CB 3.17Å; K557-Q560 PolarHBondContact O-N 2.7Å; H558-Q560 PolarHBondContact O-N 3.36Å; H558-Q560 VanDerWaalsContact O-N 3.1Å |
| 561 | D | 96.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -65 | 140.5 | 175.5 | -69.5 | -25.9 | 0 | 0 | 0 | 110.6 | R479 T490 V491 A520 G525 H558 | R479-D561 HydrophobicContact CG-CB 4.33Å; T490-D561 WeakPolarHBondContact CB-OD1 3.26Å; T490-D561 PolarHBondContact OG1-OD1 2.89Å; V491-D561 WeakPolarHBondContact O-CA 3.31Å; A520-D561 VanDerWaalsContact CA-O 3.27Å; A520-D561 WeakPolarHBondContact CA-O 3.37Å; A520-D561 HydrophobicContact CB-CB 4.33Å; A520-D561 PolarHBondContact N-O 3.34Å; G525-D561 WeakPolarHBondContact CA-OD2 3.47Å; G525-D561 PolarHBondContact N-OD2 3.38Å; H558-D561 WeakPolarHBondContact CB-OD2 3.46Å; H558-D561 IonicContact CG-OD2 3.04Å; H558-D561 IonicContact ND1-OD1 2.69Å; H558-D561 PolarHBondContact ND1-OD1 3.49Å; H558-D561 IonicContact ND1-OD2 3.85Å; H558-D561 PolarHBondContact ND1-OD2 3.2Å; H558-D561 VanDerWaalsContact O-CG 3.31Å; H558-D561 PolarHBondContact O-N 3.11Å |
| 562 | V | 97.8 | Very high | 85.4 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | trans | -87.9 | 155.4 | 178.2 | -56.4 | 0 | 0 | 0 | 0 | 112.4 | V480 V491 D493 W496 L517 | V480-V562 HydrophobicContact CB-CG2 3.95Å; V480-V562 HydrophobicContact CG2-CG2 4.11Å; V480-V562 PolarHBondContact N-O 2.79Å; V491-V562 HydrophobicContact CB-CG2 3.65Å; V491-V562 HydrophobicContact CG1-CG2 3.87Å; V491-V562 PolarHBondContact O-N 2.89Å; D493-V562 HydrophobicContact CB-CG1 3.58Å; W496-V562 HydrophobicContact CB-CG1 3.79Å; W496-V562 HydrophobicContact CD2-CB 3.93Å; W496-V562 HydrophobicContact CD2-CG1 3.77Å; W496-V562 HydrophobicContact CD2-CG2 4.07Å; W496-V562 HydrophobicContact CE3-CG1 4.36Å; W496-V562 HydrophobicContact CE3-CG2 4.34Å; W496-V562 HydrophobicContact CG-CB 3.95Å; W496-V562 HydrophobicContact CG-CG1 3.48Å; W496-V562 VanDerWaalsContact CG-CG1 3.48Å; W496-V562 HydrophobicContact CH2-CG2 4.31Å; W496-V562 HydrophobicContact CZ2-CB 4.4Å; W496-V562 HydrophobicContact CZ2-CG2 4Å; W496-V562 HydrophobicContact CZ3-CG2 4.46Å; L517-V562 WeakPolarHBondContact O-CA 3.41Å | ||
| 563 | A | 97.6 | Very high | 84.2 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 165.1 | 173 | 0 | 0 | 0 | 0 | 0 | 110.6 | G478 W496 L517 L522 | G478-A563 CarbonylContact O-C 3.36Å; G478-A563 VanDerWaalsContact O-CA 3.24Å; G478-A563 WeakPolarHBondContact O-CA 3.48Å; G478-A563 VanDerWaalsContact O-CB 3.25Å; G478-A563 WeakPolarHBondContact O-CB 3.5Å; W496-A563 PolarHBondContact NE1-O 2.88Å; L517-A563 HydrophobicContact CB-CB 3.85Å; L517-A563 WeakPolarHBondContact CB-O 3.36Å; L517-A563 HydrophobicContact CD1-CB 4.18Å; L517-A563 PolarHBondContact N-O 3.42Å; L517-A563 PolarHBondContact O-N 2.87Å; L522-A563 HydrophobicContact CB-CB 3.87Å; L522-A563 HydrophobicContact CD1-CB 3.95Å; L522-A563 HydrophobicContact CG-CB 3.95Å |
| 564 | V | 97.9 | Very high | 83.3 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 152.8 | 177 | -62.6 | 0 | 0 | 0 | 0 | 111.2 | L469 E477 G478 V480 W496 A501 V504 | L469-V564 HydrophobicContact CD1-CG2 3.92Å; L469-V564 HydrophobicContact CD2-CG2 3.54Å; L469-V564 HydrophobicContact CG-CG2 4.4Å; E477-V564 VanDerWaalsContact CA-O 3.3Å; E477-V564 WeakPolarHBondContact CA-O 3.29Å; G478-V564 PolarHBondContact N-O 2.85Å; G478-V564 VanDerWaalsContact N-O 3.14Å; G478-V564 PolarHBondContact O-N 3.03Å; V480-V564 HydrophobicContact CG2-CB 4.48Å; V480-V564 HydrophobicContact CG2-CG1 3.73Å; V480-V564 HydrophobicContact CG2-CG2 4.14Å; W496-V564 HydrophobicContact CZ2-CG1 3.65Å; A501-V564 HydrophobicContact CB-CB 4.5Å; A501-V564 HydrophobicContact CB-CG1 3.62Å; V504-V564 HydrophobicContact CG1-CG1 4.43Å; V504-V564 HydrophobicContact CG1-CG2 4.17Å |
| 565 | R | 96.5 | Very high | 82.4 | Confident | 60 Ų | 60 | 40.6 Ų | 40.6 | 23% | 0.226 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 114.4 | 159.3 | -60.5 | -172.2 | 165.7 | 141 | -0.5 | 108.9 | E477 K514 E515 L517 | E477-R565 HydrophobicContact CB-CG 4.31Å; E477-R565 HydrophobicContact CG-CB 4.04Å; E477-R565 HydrophobicContact CG-CG 3.77Å; E477-R565 IonicContact OE1-NE 2.73Å; E477-R565 IonicContact OE2-CZ 2.99Å; E477-R565 IonicContact OE2-NE 3.67Å; E477-R565 PolarHBondContact OE2-NE 2.76Å; K514-R565 WeakPolarHBondContact CA-O 3.42Å; K514-R565 WeakPolarHBondContact CB-O 3.33Å; K514-R565 PolarHBondContact N-O 3.11Å; E515-R565 HydrophobicContact CB-CB 4.17Å; E515-R565 HydrophobicContact CB-CG 4.42Å; E515-R565 PolarHBondContact N-O 2.64Å; E515-R565 PolarHBondContact O-N 3.15Å; E515-R565 IonicContact OE1-NH1 3.91Å; E515-R565 WeakPolarHBondContact OE2-CD 3.27Å; E515-R565 IonicContact OE2-CZ 2.82Å; E515-R565 IonicContact OE2-NE 3.59Å; E515-R565 IonicContact OE2-NH1 3.78Å; E515-R565 PolarHBondContact OE2-NH1 3.2Å; L517-R565 HydrophobicContact CD1-CG 3.87Å; L517-R565 HydrophobicContact CG-CG 4.48Å |
| 566 | C | 95.9 | Very high | 81.1 | Confident | 11 Ų | 11 | 42 Ų | 42 | 7% | 0.074 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 150.7 | -177.7 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | G476 C505 F510 V568 | G476-C566 VanDerWaalsContact O-CB 3.31Å; G476-C566 WeakPolarHBondContact O-CB 3.32Å; G476-C566 PolarHBondContact O-N 3.05Å; G476-C566 PolarHBondContact O-SG 3.05Å; C505-C566 WeakPolarHBondContact CA-SG 3.15Å; C505-C566 HydrophobicContact CB-CB 3.66Å; C505-C566 WeakPolarHBondContact CB-SG 3.43Å; C505-C566 WeakPolarHBondContact SG-CA 3.1Å; C505-C566 WeakPolarHBondContact SG-CB 3.1Å; C505-C566 CovalentContact SG-SG 2.03Å; C505-C566 PolarHBondContact SG-SG 2.83Å; F510-C566 HydrophobicContact CB-CB 3.71Å; F510-C566 HydrophobicContact CD2-CB 4.2Å; F510-C566 HydrophobicContact CG-CB 4.02Å; C566-V568 PolarHBondContact O-N 2.71Å |
| 567 | N | 94.1 | Very high | 79.7 | Confident | 35 Ų | 35 | 45.3 Ų | 45.3 | 19% | 0.187 | 24% | 0.243 | C | C | . | . | trans | -68.7 | 126.7 | 161.4 | -69.2 | -48 | 0 | 0 | 0 | 108.2 | G366 G369 G511 S512 | G366-N567 WeakPolarHBondContact O-CB 3.38Å; G369-N567 WeakPolarHBondContact CA-O 3.25Å; G511-N567 PolarHBondContact N-O 2.75Å; S512-N567 WeakPolarHBondContact O-CB 3.4Å; S512-N567 PolarHBondContact O-N 3.32Å; S512-N567 PolarHBondContact O-ND2 2.92Å; S512-N567 VanDerWaalsContact O-ND2 3.12Å; S512-N567 PolarHBondContact OG-ND2 3.19Å; S512-N567 VanDerWaalsContact OG-ND2 3.09Å | ||
| 568 | V | 89.9 | Confident | 79 | Confident | 31 Ų | 31 | 41.7 Ų | 41.7 | 19% | 0.188 | 23% | 0.229 | C | C | . | . | trans | -113.6 | 136.3 | 179.6 | 177.8 | 0 | 0 | 0 | 0 | 107.5 | F451 I475 F510 C566 | F451-V568 HydrophobicContact CE1-CG1 4.38Å; F451-V568 HydrophobicContact CZ-CG1 3.9Å; I475-V568 HydrophobicContact CG2-CG1 3.93Å; I475-V568 HydrophobicContact CG2-CG2 4.02Å; I475-V568 WeakPolarHBondContact O-CG2 3.03Å; F510-V568 HydrophobicContact CD1-CG2 3.98Å; F510-V568 HydrophobicContact CE1-CG2 4.29Å; C566-V568 PolarHBondContact O-N 2.71Å | ||
| 569 | P | 88.3 | Confident | 78.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -69.8 | 143.3 | -173.4 | 29 | -30.6 | 0 | 0 | 0 | 110.5 | L334 L368 G369 F370 F451 T571 | L334-P569 HydrophobicContact CD1-CB 3.67Å; L334-P569 HydrophobicContact CD1-CG 4.03Å; L368-P569 WeakPolarHBondContact O-CA 3.43Å; L368-P569 WeakPolarHBondContact O-CB 3.45Å; G369-P569 VanDerWaalsContact O-CD 3.26Å; G369-P569 WeakPolarHBondContact O-CD 3.49Å; F370-P569 HydrophobicContact CD1-CB 4.44Å; F370-P569 HydrophobicContact CD2-CB 4.33Å; F370-P569 HydrophobicContact CE1-CB 4Å; F370-P569 HydrophobicContact CE2-CB 3.87Å; F370-P569 HydrophobicContact CZ-CB 3.7Å; F451-P569 HydrophobicContact CD1-CG 4.15Å; F451-P569 HydrophobicContact CD2-CG 3.88Å; F451-P569 HydrophobicContact CE1-CG 4.08Å; F451-P569 HydrophobicContact CE2-CG 3.81Å; F451-P569 HydrophobicContact CG-CG 4.05Å; F451-P569 HydrophobicContact CZ-CG 3.93Å; P569-T571 WeakPolarHBondContact O-CG2 3.14Å; P569-T571 PolarHBondContact O-N 3.37Å | ||
| 570 | N | 79.1 | Confident | 78.8 | Confident | 93 Ų | 93 | 39.7 Ų | 39.7 | 50% | 0.497 | 21% | 0.212 | S | C | . | . | trans | -72.5 | 104.9 | 175.4 | -172.2 | -3.3 | 0 | 0 | 0 | 108.6 | G572 | N570-G572 VanDerWaalsContact C-N 3.27Å; N570-G572 PolarHBondContact O-N 2.85Å; N570-G572 PolarHBondContact OD1-N 2.97Å | ||
| 571 | T | 67.3 | Low | 78.7 | Confident | 11 Ų | 11 | 39.3 Ų | 39.3 | 7% | 0.067 | 21% | 0.211 | C | C | . | . | trans | -84.3 | -2.7 | -177.4 | 51.6 | 0 | 0 | 0 | 0 | 113.5 | L334 F451 Y454 P569 I573 | L334-T571 HydrophobicContact CD1-CG2 4.17Å; F451-T571 HydrophobicContact CD1-CG2 4.08Å; F451-T571 HydrophobicContact CE1-CG2 4.19Å; Y454-T571 HydrophobicContact CE2-CG2 3.94Å; Y454-T571 WeakPolarHBondContact OH-CB 3.39Å; Y454-T571 WeakPolarHBondContact OH-CG2 3.31Å; P569-T571 WeakPolarHBondContact O-CG2 3.14Å; P569-T571 PolarHBondContact O-N 3.37Å; T571-I573 PolarHBondContact O-N 2.97Å; T571-I573 WeakPolarHBondContact OG1-CB 3.37Å; T571-I573 PolarHBondContact OG1-N 2.99Å | ||
| 572 | G | 58.3 | Low | 78.5 | Confident | 18 Ų | 18 | 39.8 Ų | 39.8 | 19% | 0.186 | 21% | 0.214 | C | C | . | . | S | Bend | trans | 75.6 | -9.5 | -165.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | N570 T575 | N570-G572 VanDerWaalsContact C-N 3.27Å; N570-G572 PolarHBondContact O-N 2.85Å; N570-G572 PolarHBondContact OD1-N 2.97Å; G572-T575 PolarHBondContact O-OG1 2.43Å; G572-T575 VanDerWaalsContact O-OG1 3.09Å |
| 573 | I | 50.1 | Low | 78.1 | Confident | 26 Ų | 26 | 41.2 Ų | 41.2 | 13% | 0.133 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -77.5 | -37.7 | 178.3 | -57.9 | 179.5 | 0 | 0 | 0 | 111.3 | Y454 T571 T575 T576 Q623 | Y454-I573 HydrophobicContact CE1-CD1 3.8Å; Y454-I573 HydrophobicContact CE1-CG1 4.34Å; Y454-I573 WeakPolarHBondContact OH-CD1 3.45Å; T571-I573 PolarHBondContact O-N 2.97Å; T571-I573 WeakPolarHBondContact OG1-CB 3.37Å; T571-I573 PolarHBondContact OG1-N 2.99Å; I573-T575 PolarHBondContact O-N 3.13Å; I573-T576 PolarHBondContact O-N 2.54Å; I573-Q623 HydrophobicContact CG2-CG 3.96Å |
| 574 | Q | 43.9 | Very low | 77.7 | Confident | 107 Ų | 107 | 42.5 Ų | 42.5 | 50% | 0.5 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -67.7 | -19.2 | 177 | -67.9 | -179.4 | -6.2 | 0 | 0 | 112.4 | ||
| 575 | T | 46.6 | Very low | 77.3 | Confident | 79 Ų | 79 | 53.3 Ų | 53.3 | 49% | 0.485 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -98.8 | 60.9 | 168 | 50.2 | 0 | 0 | 0 | 0 | 110.7 | G572 I573 T577 | G572-T575 PolarHBondContact O-OG1 2.43Å; G572-T575 VanDerWaalsContact O-OG1 3.09Å; I573-T575 PolarHBondContact O-N 3.13Å; T575-T577 PolarHBondContact O-N 3.26Å |
| 576 | T | 51 | Low | 76.9 | Confident | 94 Ų | 94 | 56.1 Ų | 56.1 | 58% | 0.577 | 30% | 0.303 | S | S | * | . | S | Bend | trans | 34.9 | 63.9 | 144.6 | 25.1 | 0 | 0 | 0 | 0 | 117.3 | I573 | I573-T576 PolarHBondContact O-N 2.54Š|
| 577 | T | 57 | Low | 76.6 | Confident | 83 Ų | 83 | 66.6 Ų | 66.6 | 51% | 0.509 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -122 | -16.2 | 161.8 | 50.3 | 0 | 0 | 0 | 0 | 114 | T575 L595 W604 | T575-T577 PolarHBondContact O-N 3.26Å; T577-L595 WeakPolarHBondContact O-CB 3.5Å; T577-L595 WeakPolarHBondContact O-CD2 3.46Å; T577-W604 WeakPolarHBondContact O-CH2 3.45Å; T577-W604 VanDerWaalsContact O-CZ2 3.29Å; T577-W604 WeakPolarHBondContact O-CZ2 3.4Å |
| 578 | Q | 76.1 | Confident | 76.4 | Confident | 72 Ų | 72 | 65.9 Ų | 65.9 | 34% | 0.336 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -111.2 | -15.1 | -175.4 | -62.9 | -176.7 | 22.9 | 0 | 0 | 115.7 | V594 L595 Q663 | Q578-V594 CarbonylContact O-C 3.54Å; Q578-V594 WeakPolarHBondContact O-CA 3.18Å; Q578-L595 PolarHBondContact O-N 3.19Å; Q578-Q663 PolarHBondContact O-NE2 3.33Å |
| 579 | I | 87.3 | Confident | 76.7 | Confident | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 146.8 | 177.7 | -173.2 | 166.3 | 0 | 0 | 0 | 110 | V592 E593 V594 V620 Q623 L624 V662 | I579-V592 HydrophobicContact CD1-CG1 3.97Å; I579-V592 HydrophobicContact CG1-CG1 4.26Å; I579-E593 CarbonylContact C-O 3.57Å; I579-E593 VanDerWaalsContact CA-O 3.31Å; I579-E593 WeakPolarHBondContact CA-O 3.47Å; I579-V594 HydrophobicContact CD1-CG1 4.22Å; I579-V594 HydrophobicContact CG1-CG1 4.15Å; I579-V620 HydrophobicContact CD1-CB 4.4Å; I579-V620 HydrophobicContact CD1-CG1 3.87Å; I579-V620 HydrophobicContact CD1-CG2 4.06Å; I579-Q623 HydrophobicContact CG2-CG 4.06Å; I579-L624 HydrophobicContact CG2-CD2 3.79Å; I579-L624 HydrophobicContact CG2-CG 4.28Å; I579-V662 HydrophobicContact CD1-CG1 3.87Å |
| 580 | R | 90.2 | Very high | 76.9 | Confident | 66 Ų | 66 | 66.1 Ų | 66.1 | 25% | 0.249 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 159.3 | 173.5 | 66.5 | -173.9 | -175 | -158.8 | -4.2 | 111.7 | E593 W604 S642 D644 | R580-E593 HydrophobicContact CG-CB 3.97Å; R580-E593 IonicContact CZ-OE2 2.62Å; R580-E593 VanDerWaalsContact CZ-OE2 3.28Å; R580-E593 PolarHBondContact N-O 3.37Å; R580-E593 IonicContact NE-OE2 3.4Å; R580-E593 PolarHBondContact NE-OE2 2.91Å; R580-E593 IonicContact NH2-OE2 3.4Å; R580-E593 PolarHBondContact NH2-OE2 2.99Å; R580-E593 PolarHBondContact O-N 3.43Å; R580-W604 HydrophobicContact CB-CH2 4.47Å; R580-W604 HydrophobicContact CG-CE3 4.45Å; R580-W604 HydrophobicContact CG-CH2 4.08Å; R580-W604 HydrophobicContact CG-CZ3 3.84Å; R580-S642 PolarHBondContact NH2-OG 3.23Å; R580-D644 IonicContact CZ-OD2 3.45Å; R580-D644 IonicContact NH1-OD2 2.83Å; R580-D644 VanDerWaalsContact NH2-CG 3.32Å; R580-D644 IonicContact NH2-OD1 3.96Å; R580-D644 PolarHBondContact NH2-OD1 3.39Å; R580-D644 IonicContact NH2-OD2 3.27Å; R580-D644 PolarHBondContact NH2-OD2 3.42Å |
| 581 | L | 91.9 | Very high | 77.6 | Confident | 36 Ų | 36 | 63 Ų | 63 | 19% | 0.188 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 131.4 | 167.9 | -55.8 | -177.5 | 0 | 0 | 0 | 109.5 | R591 V592 V620 L624 L626 V684 | L581-R591 WeakPolarHBondContact CA-O 3.41Å; L581-V592 HydrophobicContact CD2-CG2 4.08Å; L581-V620 HydrophobicContact CD2-CG1 4.3Å; L581-L624 HydrophobicContact CD1-CD1 3.94Å; L581-L624 HydrophobicContact CD2-CD1 3.81Å; L581-L624 HydrophobicContact CG-CD1 3.58Å; L581-L626 HydrophobicContact CD1-CD1 3.9Å; L581-V684 HydrophobicContact CD1-CG2 3.95Å; L581-V684 HydrophobicContact CD2-CG2 3.48Å; L581-V684 VanDerWaalsContact CD2-CG2 3.48Å; L581-V684 HydrophobicContact CG-CG2 4.39Å |
| 582 | A | 91.3 | Very high | 78.8 | Confident | 9 Ų | 9 | 62.4 Ų | 62.4 | 7% | 0.074 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 144 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G584 G590 R591 E593 | A582-G584 VanDerWaalsContact C-N 3.27Å; A582-G584 PolarHBondContact O-N 3.06Å; A582-G590 WeakPolarHBondContact O-CA 3.5Å; A582-R591 PolarHBondContact N-O 2.98Å; A582-R591 PolarHBondContact O-N 3.04Å; A582-E593 VanDerWaalsContact CB-CD 3.48Å; A582-E593 HydrophobicContact CB-CG 4.22Å; A582-E593 WeakPolarHBondContact CB-OE1 3.36Å |
| 583 | G | 89.1 | Confident | 80.4 | Confident | 32 Ų | 32 | 61.6 Ų | 61.6 | 33% | 0.33 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 79.2 | -8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | W639 P640 | G583-W639 VanDerWaalsContact C-CD1 3.48Å; G583-P640 VanDerWaalsContact CA-O 3.24Å; G583-P640 WeakPolarHBondContact CA-O 3.42Å |
| 584 | G | 89.6 | Confident | 82.3 | Confident | 27 Ų | 27 | 60.3 Ų | 60.3 | 28% | 0.278 | 30% | 0.303 | S | S | . | . | trans | -62.3 | 155.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114 | A582 D586 E589 | A582-G584 VanDerWaalsContact C-N 3.27Å; A582-G584 PolarHBondContact O-N 3.06Å; G584-D586 VanDerWaalsContact C-N 3.33Å; G584-E589 WeakPolarHBondContact CA-O 3.33Å | ||
| 585 | R | 89 | Confident | 84.3 | Confident | 228 Ų | 228 | 56.7 Ų | 56.7 | 86% | 0.86 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -71.6 | -35 | 173.4 | -62.6 | 179.9 | 179.8 | -179.8 | 1.5 | 111.1 | E589 | R585-E589 VanDerWaalsContact CB-OE1 3.31Å; R585-E589 WeakPolarHBondContact CB-OE1 3.43Å; R585-E589 PolarHBondContact N-OE1 2.97Å |
| 586 | D | 89 | Confident | 86.1 | Confident | 118 Ų | 118 | 54.3 Ų | 54.3 | 63% | 0.631 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -120.3 | 162.5 | 179.5 | -65.2 | -51.3 | 0 | 0 | 0 | 111.5 | G584 G588 E589 | G584-D586 VanDerWaalsContact C-N 3.33Å; D586-G588 PolarHBondContact O-N 2.76Å; D586-G588 VanDerWaalsContact O-N 3.13Å; D586-E589 HydrophobicContact CB-CG 4.35Å; D586-E589 PolarHBondContact O-N 3.42Å |
| 587 | R | 88.6 | Confident | 87.5 | Confident | 232 Ų | 232 | 56.3 Ų | 56.3 | 88% | 0.875 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -20.5 | 178.4 | -64.5 | -175.7 | 178 | -172.1 | -0.1 | 113.7 | L626 | R587-L626 WeakPolarHBondContact O-CD1 3.09Š|
| 588 | G | 91.7 | Very high | 88.7 | Confident | 19 Ų | 19 | 55.4 Ų | 55.4 | 20% | 0.196 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -3.9 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | D586 T685 C686 | D586-G588 PolarHBondContact O-N 2.76Å; D586-G588 VanDerWaalsContact O-N 3.13Å; G588-T685 CarbonylContact O-C 3.55Å; G588-C686 WeakPolarHBondContact O-CB 3.44Å; G588-C686 PolarHBondContact O-N 3.02Å |
| 589 | E | 94.3 | Very high | 88.8 | Confident | 36 Ų | 36 | 56.2 Ų | 56.2 | 17% | 0.168 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 158.4 | -178.2 | 58.4 | 166.6 | -147.5 | 0 | 0 | 112.4 | G584 R585 D586 W639 V684 T685 | G584-E589 WeakPolarHBondContact CA-O 3.33Å; R585-E589 VanDerWaalsContact CB-OE1 3.31Å; R585-E589 WeakPolarHBondContact CB-OE1 3.43Å; R585-E589 PolarHBondContact N-OE1 2.97Å; D586-E589 HydrophobicContact CB-CG 4.35Å; D586-E589 PolarHBondContact O-N 3.42Å; E589-W639 HydrophobicContact CB-CH2 4.43Å; E589-W639 HydrophobicContact CB-CZ2 3.95Å; E589-W639 HydrophobicContact CG-CZ2 4.34Å; E589-V684 VanDerWaalsContact CA-O 3.28Å; E589-V684 WeakPolarHBondContact CA-O 3.42Å; E589-T685 HydrophobicContact CB-CG2 4.2Å |
| 590 | G | 93.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 147.7 | 179.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A582 G683 V684 | A582-G590 WeakPolarHBondContact O-CA 3.5Å; G590-G683 VanDerWaalsContact O-CA 3.3Å; G590-G683 WeakPolarHBondContact O-CA 3Å; G590-V684 PolarHBondContact N-O 3.44Å; G590-V684 VanDerWaalsContact N-O 3.08Å; G590-V684 PolarHBondContact O-N 3.29Å |
| 591 | R | 92.7 | Very high | 88.1 | Confident | 27 Ų | 27 | 58.9 Ų | 58.9 | 10% | 0.102 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 137.1 | 173.2 | -173.7 | 179.5 | 63.5 | -157.4 | 30.7 | 110.4 | L581 A582 E593 T636 W639 A681 A682 | L581-R591 WeakPolarHBondContact CA-O 3.41Å; A582-R591 PolarHBondContact N-O 2.98Å; A582-R591 PolarHBondContact O-N 3.04Å; R591-E593 IonicContact CZ-OE1 2.91Å; R591-E593 IonicContact NE-OE1 3.88Å; R591-E593 IonicContact NH2-OE1 3.78Å; R591-E593 PolarHBondContact NH2-OE1 3.27Å; R591-E593 PolarHBondContact O-N 3.11Å; R591-T636 HydrophobicContact CG-CG2 4.48Å; R591-W639 PolarHBondContact NH1-O 3.32Å; R591-A681 VanDerWaalsContact CD-CB 3.5Å; R591-A681 HydrophobicContact CG-CB 3.77Å; R591-A682 WeakPolarHBondContact CG-O 3.09Å |
| 592 | V | 92.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 119.9 | -179.7 | -173.2 | 0 | 0 | 0 | 0 | 110 | I579 L581 V594 V607 F612 V620 A682 V684 | I579-V592 HydrophobicContact CD1-CG1 3.97Å; I579-V592 HydrophobicContact CG1-CG1 4.26Å; L581-V592 HydrophobicContact CD2-CG2 4.08Å; V592-V594 HydrophobicContact CG1-CG1 4.4Å; V592-V607 HydrophobicContact CB-CG2 4.23Å; V592-V607 HydrophobicContact CG1-CG2 3.81Å; V592-F612 HydrophobicContact CG2-CZ 4.44Å; V592-V620 HydrophobicContact CG1-CG1 4.21Å; V592-V620 HydrophobicContact CG1-CG2 4.24Å; V592-V620 HydrophobicContact CG2-CG1 4.09Å; V592-A682 PolarHBondContact N-O 3.08Å; V592-V684 HydrophobicContact CG2-CB 4.49Å; V592-V684 HydrophobicContact CG2-CG1 3.84Å; V592-V684 HydrophobicContact CG2-CG2 4.05Å |
| 593 | E | 91.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 134 | 174.5 | -60.4 | -178.4 | 167.6 | 0 | 0 | 109.3 | I579 R580 A582 R591 W604 G605 S642 A645 | I579-E593 CarbonylContact C-O 3.57Å; I579-E593 VanDerWaalsContact CA-O 3.31Å; I579-E593 WeakPolarHBondContact CA-O 3.47Å; R580-E593 HydrophobicContact CG-CB 3.97Å; R580-E593 IonicContact CZ-OE2 2.62Å; R580-E593 VanDerWaalsContact CZ-OE2 3.28Å; R580-E593 PolarHBondContact N-O 3.37Å; R580-E593 IonicContact NE-OE2 3.4Å; R580-E593 PolarHBondContact NE-OE2 2.91Å; R580-E593 IonicContact NH2-OE2 3.4Å; R580-E593 PolarHBondContact NH2-OE2 2.99Å; R580-E593 PolarHBondContact O-N 3.43Å; A582-E593 VanDerWaalsContact CB-CD 3.48Å; A582-E593 HydrophobicContact CB-CG 4.22Å; A582-E593 WeakPolarHBondContact CB-OE1 3.36Å; R591-E593 IonicContact CZ-OE1 2.91Å; R591-E593 IonicContact NE-OE1 3.88Å; R591-E593 IonicContact NH2-OE1 3.78Å; R591-E593 PolarHBondContact NH2-OE1 3.27Å; R591-E593 PolarHBondContact O-N 3.11Å; E593-W604 HydrophobicContact CB-CE3 4.19Å; E593-W604 HydrophobicContact CB-CZ3 4.49Å; E593-W604 WeakPolarHBondContact O-CZ3 3.38Å; E593-G605 CarbonylContact C-O 3.59Å; E593-G605 VanDerWaalsContact CA-O 3.31Å; E593-G605 WeakPolarHBondContact CA-O 3.35Å; E593-S642 PolarHBondContact OE1-N 3.36Å; E593-S642 VanDerWaalsContact OE1-N 3.16Å; E593-S642 PolarHBondContact OE1-OG 2.98Å; E593-S642 VanDerWaalsContact OE2-CB 3.26Å; E593-S642 WeakPolarHBondContact OE2-CB 3.46Å; E593-S642 PolarHBondContact OE2-OG 3.16Å; E593-A645 HydrophobicContact CB-CB 4.16Å; E593-A645 HydrophobicContact CG-CB 3.79Å |
| 594 | V | 90.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 145.7 | -177.8 | -64.9 | 0 | 0 | 0 | 0 | 111.3 | Q578 I579 V592 M596 W604 G605 V607 L650 V662 | Q578-V594 CarbonylContact O-C 3.54Å; Q578-V594 WeakPolarHBondContact O-CA 3.18Å; I579-V594 HydrophobicContact CD1-CG1 4.22Å; I579-V594 HydrophobicContact CG1-CG1 4.15Å; V592-V594 HydrophobicContact CG1-CG1 4.4Å; V594-M596 HydrophobicContact CG2-CG 4.25Å; V594-M596 HydrophobicContact CG2-SD 4.18Å; V594-W604 WeakPolarHBondContact O-CA 3.03Å; V594-G605 PolarHBondContact N-O 3Å; V594-G605 PolarHBondContact O-N 2.79Å; V594-V607 HydrophobicContact CG1-CG2 3.85Å; V594-V607 HydrophobicContact CG2-CG2 4.07Å; V594-L650 HydrophobicContact CG2-CB 4.16Å; V594-L650 HydrophobicContact CG2-CD2 4.48Å; V594-V662 HydrophobicContact CG1-CG1 4.1Å |
| 595 | L | 86.8 | Confident | 87.7 | Confident | 30 Ų | 30 | 65.2 Ų | 65.2 | 16% | 0.157 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 121.5 | 172 | -167.9 | 76.8 | 0 | 0 | 0 | 109 | T577 Q578 M602 R603 W604 | T577-L595 WeakPolarHBondContact O-CB 3.5Å; T577-L595 WeakPolarHBondContact O-CD2 3.46Å; Q578-L595 PolarHBondContact O-N 3.19Å; L595-M602 HydrophobicContact CD1-CB 4.19Å; L595-M602 HydrophobicContact CD2-CB 4.04Å; L595-M602 HydrophobicContact CD2-CE 3.6Å; L595-M602 HydrophobicContact CD2-CG 4.48Å; L595-M602 HydrophobicContact CG-CB 4.09Å; L595-M602 HydrophobicContact CG-CE 3.81Å; L595-R603 WeakPolarHBondContact CA-O 3.25Å; L595-R603 VanDerWaalsContact CD1-C 3.48Å; L595-W604 HydrophobicContact CB-CD2 4.09Å; L595-W604 HydrophobicContact CB-CE3 4.09Å; L595-W604 HydrophobicContact CB-CH2 4.11Å; L595-W604 HydrophobicContact CB-CZ2 4.1Å; L595-W604 HydrophobicContact CB-CZ3 4.1Å; L595-W604 HydrophobicContact CD1-CD2 3.81Å; L595-W604 HydrophobicContact CD1-CG 3.75Å; L595-W604 HydrophobicContact CD1-CZ2 4.36Å |
| 596 | M | 83.2 | Confident | 87.7 | Confident | 29 Ų | 29 | 54.5 Ų | 54.5 | 14% | 0.143 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 151.7 | -179.8 | -72.6 | -176.4 | 47 | 0 | 0 | 111.7 | V594 M602 R603 L649 L650 | V594-M596 HydrophobicContact CG2-CG 4.25Å; V594-M596 HydrophobicContact CG2-SD 4.18Å; M596-M602 WeakPolarHBondContact O-CA 3.48Å; M596-R603 PolarHBondContact N-O 2.95Å; M596-R603 PolarHBondContact O-N 2.82Å; M596-L649 HydrophobicContact CB-CD1 4.37Å; M596-L649 HydrophobicContact SD-CB 4.17Å; M596-L650 HydrophobicContact SD-CB 4.02Å; M596-L650 HydrophobicContact SD-CD1 4.13Å |
| 597 | E | 82.1 | Confident | 87.8 | Confident | 137 Ų | 137 | 48.9 Ų | 48.9 | 64% | 0.64 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 121.3 | 172.8 | -166.5 | -179.6 | 172.2 | 0 | 0 | 110.3 | A601 M602 | E597-A601 WeakPolarHBondContact CA-O 3.23Å; E597-M602 HydrophobicContact CB-SD 3.75Å; E597-M602 HydrophobicContact CG-SD 4.34Å |
| 598 | V | 80.7 | Confident | 87.9 | Confident | 63 Ų | 63 | 37.9 Ų | 37.9 | 38% | 0.382 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 117.3 | 176.8 | -178.9 | 0 | 0 | 0 | 0 | 108.3 | G600 A601 R603 L649 | V598-G600 VanDerWaalsContact C-N 3.3Å; V598-G600 PolarHBondContact O-N 3.31Å; V598-A601 PolarHBondContact N-O 3Å; V598-A601 PolarHBondContact O-N 2.78Å; V598-R603 VanDerWaalsContact CB-CD 3.47Å; V598-R603 HydrophobicContact CB-CG 3.8Å; V598-R603 HydrophobicContact CG2-CG 3.67Å; V598-L649 HydrophobicContact CG2-CD2 3.96Å |
| 599 | G | 79.6 | Confident | 87.8 | Confident | 89 Ų | 89 | 37.6 Ų | 37.6 | 92% | 0.918 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.7 | 29.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | A601 | G599-A601 VanDerWaalsContact C-N 3.34Š|
| 600 | G | 79.5 | Confident | 87.4 | Confident | 63 Ų | 63 | 39.9 Ų | 39.9 | 65% | 0.649 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.9 | 4.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | V598 | V598-G600 VanDerWaalsContact C-N 3.3Å; V598-G600 PolarHBondContact O-N 3.31Å |
| 601 | A | 83.2 | Confident | 86.9 | Confident | 61 Ų | 61 | 46 Ų | 46 | 50% | 0.504 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 142.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | E597 V598 G599 | E597-A601 WeakPolarHBondContact CA-O 3.23Å; V598-A601 PolarHBondContact N-O 3Å; V598-A601 PolarHBondContact O-N 2.78Å; G599-A601 VanDerWaalsContact C-N 3.34Å |
| 602 | M | 83.8 | Confident | 86.8 | Confident | 107 Ų | 107 | 44.9 Ų | 44.9 | 53% | 0.527 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 126.7 | 174.6 | -63.8 | -62.8 | -81.1 | 0 | 0 | 110 | L595 M596 E597 | L595-M602 HydrophobicContact CD1-CB 4.19Å; L595-M602 HydrophobicContact CD2-CB 4.04Å; L595-M602 HydrophobicContact CD2-CE 3.6Å; L595-M602 HydrophobicContact CD2-CG 4.48Å; L595-M602 HydrophobicContact CG-CB 4.09Å; L595-M602 HydrophobicContact CG-CE 3.81Å; M596-M602 WeakPolarHBondContact O-CA 3.48Å; E597-M602 HydrophobicContact CB-SD 3.75Å; E597-M602 HydrophobicContact CG-SD 4.34Å |
| 603 | R | 88.5 | Confident | 86.7 | Confident | 85 Ų | 85 | 46.2 Ų | 46.2 | 32% | 0.321 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 146.3 | 178.1 | 56.1 | 169.4 | -70.2 | 177.2 | -5.1 | 112 | L595 M596 V598 D647 L649 | L595-R603 WeakPolarHBondContact CA-O 3.25Å; L595-R603 VanDerWaalsContact CD1-C 3.48Å; M596-R603 PolarHBondContact N-O 2.95Å; M596-R603 PolarHBondContact O-N 2.82Å; V598-R603 VanDerWaalsContact CB-CD 3.47Å; V598-R603 HydrophobicContact CB-CG 3.8Å; V598-R603 HydrophobicContact CG2-CG 3.67Å; R603-D647 IonicContact CZ-OD2 3.69Å; R603-D647 IonicContact NH1-OD2 3.56Å; R603-D647 VanDerWaalsContact NH2-CB 3.28Å; R603-D647 IonicContact NH2-OD2 3.6Å; R603-D647 PolarHBondContact NH2-OD2 2.74Å; R603-L649 HydrophobicContact CG-CD1 3.74Å; R603-L649 WeakPolarHBondContact O-CD1 3.02Å |
| 604 | W | 90.2 | Very high | 86.7 | Confident | 45 Ų | 45 | 46.6 Ų | 46.6 | 17% | 0.17 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 151 | 171.7 | -74.2 | 103.8 | 0 | 0 | 0 | 110.6 | T577 R580 E593 V594 L595 D644 A645 L649 | T577-W604 WeakPolarHBondContact O-CH2 3.45Å; T577-W604 VanDerWaalsContact O-CZ2 3.29Å; T577-W604 WeakPolarHBondContact O-CZ2 3.4Å; R580-W604 HydrophobicContact CB-CH2 4.47Å; R580-W604 HydrophobicContact CG-CE3 4.45Å; R580-W604 HydrophobicContact CG-CH2 4.08Å; R580-W604 HydrophobicContact CG-CZ3 3.84Å; E593-W604 HydrophobicContact CB-CE3 4.19Å; E593-W604 HydrophobicContact CB-CZ3 4.49Å; E593-W604 WeakPolarHBondContact O-CZ3 3.38Å; V594-W604 WeakPolarHBondContact O-CA 3.03Å; L595-W604 HydrophobicContact CB-CD2 4.09Å; L595-W604 HydrophobicContact CB-CE3 4.09Å; L595-W604 HydrophobicContact CB-CH2 4.11Å; L595-W604 HydrophobicContact CB-CZ2 4.1Å; L595-W604 HydrophobicContact CB-CZ3 4.1Å; L595-W604 HydrophobicContact CD1-CD2 3.81Å; L595-W604 HydrophobicContact CD1-CG 3.75Å; L595-W604 HydrophobicContact CD1-CZ2 4.36Å; W604-D644 CarbonylContact C-O 3.46Å; W604-D644 VanDerWaalsContact O-O 3.09Å; W604-A645 HydrophobicContact CB-CB 4.07Å; W604-L649 WeakPolarHBondContact O-CD1 3.31Å |
| 605 | G | 89.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.3 | 168.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E593 V594 D647 | E593-G605 CarbonylContact C-O 3.59Å; E593-G605 VanDerWaalsContact CA-O 3.31Å; E593-G605 WeakPolarHBondContact CA-O 3.35Å; V594-G605 PolarHBondContact N-O 3Å; V594-G605 PolarHBondContact O-N 2.79Å; G605-D647 CarbonylContact C-O 3.51Å; G605-D647 VanDerWaalsContact CA-O 3.23Å; G605-D647 WeakPolarHBondContact CA-O 3.08Å |
| 606 | S | 89.9 | Confident | 87 | Confident | 4 Ų | 4 | 47 Ų | 47 | 3% | 0.028 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 161.7 | 177.6 | 56.6 | 0 | 0 | 0 | 0 | 111.9 | A645 D647 V648 L649 | S606-A645 PolarHBondContact N-O 2.78Å; S606-D647 PolarHBondContact N-O 3.38Å; S606-D647 PolarHBondContact OG-O 2.74Å; S606-V648 WeakPolarHBondContact O-CA 3.47Å; S606-V648 WeakPolarHBondContact OG-CA 3.31Å; S606-L649 PolarHBondContact O-N 3.47Å |
| 607 | V | 91.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 136.5 | 172.6 | -174.9 | 0 | 0 | 0 | 0 | 108.9 | V592 V594 S609 F612 L650 T653 A681 A682 | V592-V607 HydrophobicContact CB-CG2 4.23Å; V592-V607 HydrophobicContact CG1-CG2 3.81Å; V594-V607 HydrophobicContact CG1-CG2 3.85Å; V594-V607 HydrophobicContact CG2-CG2 4.07Å; V607-S609 PolarHBondContact O-N 3.35Å; V607-F612 HydrophobicContact CG1-CD2 4.04Å; V607-F612 HydrophobicContact CG1-CE2 4.15Å; V607-L650 HydrophobicContact CG1-CB 4.33Å; V607-L650 HydrophobicContact CG1-CD2 4.19Å; V607-L650 HydrophobicContact CG1-CG 4.36Å; V607-L650 HydrophobicContact CG2-CB 4.25Å; V607-L650 HydrophobicContact CG2-CD2 4.08Å; V607-T653 HydrophobicContact CG1-CG2 4.07Å; V607-A681 CarbonylContact O-C 3.56Å; V607-A681 WeakPolarHBondContact O-CA 3.4Å; V607-A682 HydrophobicContact CB-CB 4.07Å; V607-A682 HydrophobicContact CG1-CB 4.19Å; V607-A682 PolarHBondContact O-N 3.49Å |
| 608 | C | 90.1 | Very high | 88 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.007 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -63.5 | 132.9 | 175 | -170.9 | 0 | 0 | 0 | 0 | 109.7 | E610 V648 L650 C673 | C608-E610 VanDerWaalsContact C-N 3.33Å; C608-V648 HydrophobicContact CB-CG1 3.85Å; C608-L650 WeakPolarHBondContact CB-O 3.42Å; C608-L650 PolarHBondContact N-O 3.42Å; C608-C673 HydrophobicContact CB-CB 3.83Å; C608-C673 WeakPolarHBondContact CB-SG 3.44Å; C608-C673 WeakPolarHBondContact SG-CB 3.46Å; C608-C673 CovalentContact SG-SG 2.04Å; C608-C673 PolarHBondContact SG-SG 2.91Å |
| 609 | S | 89.2 | Confident | 88.4 | Confident | 13 Ų | 13 | 36.7 Ų | 36.7 | 9% | 0.091 | 23% | 0.233 | C | C | . | . | trans | -79.8 | -13.2 | 177.1 | 47.2 | 0 | 0 | 0 | 0 | 114.7 | V607 N611 F612 E634 R680 | V607-S609 PolarHBondContact O-N 3.35Å; S609-N611 PolarHBondContact O-N 3.48Å; S609-F612 WeakPolarHBondContact O-CB 3.3Å; S609-F612 PolarHBondContact O-N 3.28Å; S609-E634 WeakPolarHBondContact CB-O 3.45Å; S609-E634 PolarHBondContact OG-O 2.93Å; S609-R680 PolarHBondContact OG-O 3.4Å | ||
| 610 | E | 86.7 | Confident | 89 | Confident | 84 Ų | 84 | 32.5 Ų | 32.5 | 39% | 0.393 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | 118.6 | -178.9 | -169.1 | 171 | -178.7 | 0 | 0 | 110.6 | C608 F612 P674 | C608-E610 VanDerWaalsContact C-N 3.33Å; E610-F612 PolarHBondContact O-N 2.86Å; E610-P674 WeakPolarHBondContact OE2-CD 3.3Å |
| 611 | N | 83.9 | Confident | 89.6 | Confident | 128 Ų | 128 | 29.5 Ų | 29.5 | 68% | 0.684 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 22.9 | -173.1 | -49.5 | -51 | 0 | 0 | 0 | 114.5 | S609 G613 | S609-N611 PolarHBondContact O-N 3.48Å; N611-G613 PolarHBondContact O-N 3.14Å |
| 612 | F | 89.7 | Confident | 89.9 | Confident | 4 Ų | 4 | 28.8 Ų | 28.8 | 2% | 0.018 | 14% | 0.143 | C | C | . | . | trans | -84.5 | 101.1 | 172.6 | -171.1 | -83.6 | 0 | 0 | 0 | 109.7 | V592 V607 S609 E610 E616 A617 V620 A632 A682 V684 | V592-F612 HydrophobicContact CG2-CZ 4.44Å; V607-F612 HydrophobicContact CG1-CD2 4.04Å; V607-F612 HydrophobicContact CG1-CE2 4.15Å; S609-F612 WeakPolarHBondContact O-CB 3.3Å; S609-F612 PolarHBondContact O-N 3.28Å; E610-F612 PolarHBondContact O-N 2.86Å; F612-E616 HydrophobicContact CD1-CB 4.46Å; F612-E616 HydrophobicContact CD2-CB 3.76Å; F612-E616 HydrophobicContact CD2-CG 4.19Å; F612-E616 HydrophobicContact CE1-CB 4.26Å; F612-E616 HydrophobicContact CE2-CB 3.54Å; F612-E616 HydrophobicContact CE2-CG 4.36Å; F612-E616 HydrophobicContact CG-CB 4.22Å; F612-E616 HydrophobicContact CZ-CB 3.8Å; F612-A617 HydrophobicContact CE1-CB 4.05Å; F612-V620 HydrophobicContact CZ-CG2 4.23Å; F612-A632 HydrophobicContact CD1-CB 4.25Å; F612-A632 HydrophobicContact CE1-CB 4.37Å; F612-A682 HydrophobicContact CB-CB 4.02Å; F612-A682 HydrophobicContact CD1-CB 3.67Å; F612-A682 HydrophobicContact CD2-CB 3.56Å; F612-A682 HydrophobicContact CE1-CB 3.98Å; F612-A682 HydrophobicContact CE2-CB 3.87Å; F612-A682 HydrophobicContact CG-CB 3.46Å; F612-A682 VanDerWaalsContact CG-CB 3.46Å; F612-A682 HydrophobicContact CZ-CB 4.08Å; F612-V684 HydrophobicContact CE1-CG1 3.77Å; F612-V684 HydrophobicContact CZ-CG1 3.96Å | ||
| 613 | G | 91.2 | Very high | 90 | Very high | 27 Ų | 27 | 24 Ų | 24 | 28% | 0.278 | 12% | 0.119 | S | C | . | . | trans | -104.2 | -165.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | N611 E616 A617 A632 | N611-G613 PolarHBondContact O-N 3.14Å; G613-E616 WeakPolarHBondContact CA-OE2 3.44Å; G613-E616 PolarHBondContact N-OE2 2.91Å; G613-A617 PolarHBondContact O-N 3.47Å; G613-A617 VanDerWaalsContact O-N 3.12Å; G613-A632 WeakPolarHBondContact O-CB 3.17Å | ||
| 614 | L | 91.8 | Very high | 89.9 | Confident | 9 Ų | 9 | 21.7 Ų | 21.7 | 5% | 0.047 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -67.5 | -33.5 | 179.2 | -80.2 | 179.7 | 0 | 0 | 0 | 113.1 | E616 A617 M618 A629 A632 L861 M863 A864 F868 | L614-E616 VanDerWaalsContact C-N 3.35Å; L614-E616 PolarHBondContact O-N 2.93Å; L614-A617 PolarHBondContact O-N 2.76Å; L614-M618 WeakPolarHBondContact O-CB 3.28Å; L614-M618 WeakPolarHBondContact O-CG 3.29Å; L614-M618 PolarHBondContact O-N 3.38Å; L614-A629 HydrophobicContact CD2-CB 4.35Å; L614-A632 HydrophobicContact CD2-CB 4.23Å; L614-L861 VanDerWaalsContact CD1-O 3.24Å; L614-L861 WeakPolarHBondContact CD1-O 3.4Å; L614-M863 WeakPolarHBondContact CD1-O 3.32Å; L614-A864 HydrophobicContact CD1-CB 4.31Å; L614-A864 HydrophobicContact CD2-CB 4.46Å; L614-F868 HydrophobicContact CB-CZ 4.42Å; L614-F868 HydrophobicContact CD1-CZ 4.34Å |
| 615 | N | 90.9 | Very high | 89.8 | Confident | 32 Ų | 32 | 21 Ų | 21 | 17% | 0.171 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.1 | -43.1 | 177.5 | -72.6 | -20.5 | 0 | 0 | 0 | 111.7 | M618 V619 | N615-M618 PolarHBondContact O-N 2.7Å; N615-V619 WeakPolarHBondContact O-CG2 3.05Å; N615-V619 PolarHBondContact O-N 3.16Å |
| 616 | E | 92.3 | Very high | 89.9 | Confident | 7 Ų | 7 | 23.1 Ų | 23.1 | 3% | 0.033 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.9 | -44.5 | 174.4 | -65.2 | 63.9 | -139.9 | 0 | 0 | 110.9 | F612 G613 L614 M618 V619 V620 H654 C655 | F612-E616 HydrophobicContact CD1-CB 4.46Å; F612-E616 HydrophobicContact CD2-CB 3.76Å; F612-E616 HydrophobicContact CD2-CG 4.19Å; F612-E616 HydrophobicContact CE1-CB 4.26Å; F612-E616 HydrophobicContact CE2-CB 3.54Å; F612-E616 HydrophobicContact CE2-CG 4.36Å; F612-E616 HydrophobicContact CG-CB 4.22Å; F612-E616 HydrophobicContact CZ-CB 3.8Å; G613-E616 WeakPolarHBondContact CA-OE2 3.44Å; G613-E616 PolarHBondContact N-OE2 2.91Å; L614-E616 VanDerWaalsContact C-N 3.35Å; L614-E616 PolarHBondContact O-N 2.93Å; E616-M618 VanDerWaalsContact C-N 3.32Å; E616-M618 PolarHBondContact O-N 2.75Å; E616-V619 PolarHBondContact O-N 3.21Å; E616-V620 WeakPolarHBondContact O-CG2 3.48Å; E616-V620 PolarHBondContact O-N 2.84Å; E616-H654 VanDerWaalsContact OE1-CA 3.32Å; E616-H654 WeakPolarHBondContact OE1-CA 3.47Å; E616-H654 IonicContact OE1-ND1 2.82Å; E616-C655 HydrophobicContact CG-CB 4.23Å; E616-C655 PolarHBondContact OE1-N 2.91Å |
| 617 | A | 93.8 | Very high | 90 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.1 | -39.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F612 G613 L614 V619 V620 C621 A629 A632 V684 | F612-A617 HydrophobicContact CE1-CB 4.05Å; G613-A617 PolarHBondContact O-N 3.47Å; G613-A617 VanDerWaalsContact O-N 3.12Å; L614-A617 PolarHBondContact O-N 2.76Å; A617-V619 VanDerWaalsContact C-N 3.34Å; A617-V619 PolarHBondContact O-N 2.76Å; A617-V620 PolarHBondContact O-N 3.14Å; A617-C621 PolarHBondContact O-N 3.46Å; A617-C621 PolarHBondContact O-SG 3.49Å; A617-A629 VanDerWaalsContact C-CB 3.43Å; A617-A629 HydrophobicContact CB-CB 3.46Å; A617-A629 VanDerWaalsContact CB-CB 3.46Å; A617-A632 HydrophobicContact CB-CB 3.93Å; A617-V684 HydrophobicContact CB-CB 4.39Å; A617-V684 HydrophobicContact CB-CG1 3.57Å |
| 618 | M | 91.9 | Very high | 90.1 | Very high | 12 Ų | 12 | 23.4 Ų | 23.4 | 6% | 0.059 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.5 | -45.4 | 176.4 | -75.4 | -69.2 | 177.4 | 0 | 0 | 110.9 | L614 N615 E616 V620 C621 R622 F628 A629 A864 E865 F868 | L614-M618 WeakPolarHBondContact O-CB 3.28Å; L614-M618 WeakPolarHBondContact O-CG 3.29Å; L614-M618 PolarHBondContact O-N 3.38Å; N615-M618 PolarHBondContact O-N 2.7Å; E616-M618 VanDerWaalsContact C-N 3.32Å; E616-M618 PolarHBondContact O-N 2.75Å; M618-V620 VanDerWaalsContact C-N 3.33Å; M618-V620 PolarHBondContact O-N 2.92Å; M618-C621 PolarHBondContact O-N 2.77Å; M618-R622 WeakPolarHBondContact O-CB 3.43Å; M618-R622 PolarHBondContact O-N 2.94Å; M618-F628 HydrophobicContact CE-CB 4.16Å; M618-F628 HydrophobicContact SD-CB 3.83Å; M618-F628 HydrophobicContact SD-CD1 4.04Å; M618-F628 HydrophobicContact SD-CG 4.46Å; M618-A629 HydrophobicContact CE-CB 4.23Å; M618-A629 WeakPolarHBondContact CE-O 3.41Å; M618-A629 HydrophobicContact CG-CB 4.1Å; M618-A629 HydrophobicContact SD-CB 3.93Å; M618-A629 PolarHBondContact SD-N 2.96Å; M618-A864 HydrophobicContact CE-CB 4.29Å; M618-E865 WeakPolarHBondContact CE-O 3.15Å; M618-F868 HydrophobicContact CE-CE2 4.06Å; M618-F868 HydrophobicContact CE-CZ 4.24Å; M618-F868 HydrophobicContact CG-CE2 4.44Å |
| 619 | V | 90.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.5 | -42.7 | 175.9 | 175.3 | 0 | 0 | 0 | 0 | 110.7 | N615 E616 A617 Q623 C655 E659 S661 V662 | N615-V619 WeakPolarHBondContact O-CG2 3.05Å; N615-V619 PolarHBondContact O-N 3.16Å; E616-V619 PolarHBondContact O-N 3.21Å; A617-V619 VanDerWaalsContact C-N 3.34Å; A617-V619 PolarHBondContact O-N 2.76Å; V619-Q623 WeakPolarHBondContact O-CB 3.38Å; V619-Q623 PolarHBondContact O-N 3.43Å; V619-C655 HydrophobicContact CG2-CB 3.92Å; V619-E659 HydrophobicContact CG1-CB 4.15Å; V619-E659 HydrophobicContact CG2-CB 4.11Å; V619-S661 VanDerWaalsContact CG1-C 3.43Å; V619-V662 HydrophobicContact CG1-CB 4.31Å |
| 620 | V | 92 | Very high | 90.5 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.9 | -51 | 178.3 | 170.8 | 0 | 0 | 0 | 0 | 111.9 | I579 L581 V592 F612 E616 A617 M618 R622 Q623 L624 V662 V684 | I579-V620 HydrophobicContact CD1-CB 4.4Å; I579-V620 HydrophobicContact CD1-CG1 3.87Å; I579-V620 HydrophobicContact CD1-CG2 4.06Å; L581-V620 HydrophobicContact CD2-CG1 4.3Å; V592-V620 HydrophobicContact CG1-CG1 4.21Å; V592-V620 HydrophobicContact CG1-CG2 4.24Å; V592-V620 HydrophobicContact CG2-CG1 4.09Å; F612-V620 HydrophobicContact CZ-CG2 4.23Å; E616-V620 WeakPolarHBondContact O-CG2 3.48Å; E616-V620 PolarHBondContact O-N 2.84Å; A617-V620 PolarHBondContact O-N 3.14Å; M618-V620 VanDerWaalsContact C-N 3.33Å; M618-V620 PolarHBondContact O-N 2.92Å; V620-R622 VanDerWaalsContact C-N 3.32Å; V620-R622 PolarHBondContact O-N 2.93Å; V620-Q623 PolarHBondContact O-N 3.39Å; V620-L624 HydrophobicContact CG1-CD1 3.92Å; V620-L624 WeakPolarHBondContact O-CB 3.29Å; V620-L624 WeakPolarHBondContact O-CG 3.3Å; V620-L624 PolarHBondContact O-N 3.36Å; V620-V662 HydrophobicContact CG2-CB 4Å; V620-V662 HydrophobicContact CG2-CG1 4.42Å; V620-V662 HydrophobicContact CG2-CG2 3.99Å; V620-V684 HydrophobicContact CB-CG1 4.4Å; V620-V684 HydrophobicContact CG1-CG1 4.31Å; V620-V684 HydrophobicContact CG1-CG2 3.94Å |
| 621 | C | 92.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.5 | -41.8 | 179.8 | -71.1 | 0 | 0 | 0 | 0 | 111.4 | A617 M618 L624 G625 L626 G627 C686 | A617-C621 PolarHBondContact O-N 3.46Å; A617-C621 PolarHBondContact O-SG 3.49Å; M618-C621 PolarHBondContact O-N 2.77Å; C621-L624 PolarHBondContact O-N 2.98Å; C621-G625 PolarHBondContact O-N 2.71Å; C621-G625 VanDerWaalsContact O-N 3.14Å; C621-L626 PolarHBondContact O-N 2.92Å; C621-G627 CarbonylContact C-O 3.55Å; C621-G627 VanDerWaalsContact CB-O 3.29Å; C621-G627 WeakPolarHBondContact CB-O 3.36Å; C621-C686 VanDerWaalsContact CA-SG 3.5Å; C621-C686 HydrophobicContact CB-CB 3.72Å; C621-C686 WeakPolarHBondContact CB-SG 3.49Å; C621-C686 WeakPolarHBondContact SG-CA 3.03Å; C621-C686 WeakPolarHBondContact SG-CB 3.18Å; C621-C686 CovalentContact SG-SG 2.04Å; C621-C686 PolarHBondContact SG-SG 3.42Å |
| 622 | R | 88.9 | Confident | 91.1 | Very high | 47 Ų | 47 | 23 Ų | 23 | 18% | 0.177 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.5 | -42.1 | 176.3 | -174.5 | 170.8 | 62.1 | -127.8 | -2.3 | 112.6 | I475 M618 V620 L624 G625 G627 G657 E659 | I475-R622 HydrophobicContact CG1-CG 4Å; M618-R622 WeakPolarHBondContact O-CB 3.43Å; M618-R622 PolarHBondContact O-N 2.94Å; V620-R622 VanDerWaalsContact C-N 3.32Å; V620-R622 PolarHBondContact O-N 2.93Å; R622-L624 VanDerWaalsContact C-N 3.26Å; R622-L624 PolarHBondContact O-N 3.02Å; R622-G625 PolarHBondContact O-N 3.16Å; R622-G627 PolarHBondContact N-O 3.29Å; R622-G657 VanDerWaalsContact CZ-O 3.26Å; R622-G657 PolarHBondContact NH1-O 3.41Å; R622-G657 PolarHBondContact NH2-O 2.82Å; R622-E659 PolarHBondContact NH2-O 3.3Å |
| 623 | Q | 86.3 | Confident | 91.2 | Very high | 6 Ų | 6 | 24.5 Ų | 24.5 | 3% | 0.028 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.7 | -37.1 | 176.8 | 179.8 | 178 | 2.8 | 0 | 0 | 111.7 | I573 I579 V619 V620 G625 | I573-Q623 HydrophobicContact CG2-CG 3.96Å; I579-Q623 HydrophobicContact CG2-CG 4.06Å; V619-Q623 WeakPolarHBondContact O-CB 3.38Å; V619-Q623 PolarHBondContact O-N 3.43Å; V620-Q623 PolarHBondContact O-N 3.39Å; Q623-G625 VanDerWaalsContact C-N 3.28Å |
| 624 | L | 86.6 | Confident | 91 | Very high | 36 Ų | 36 | 29 Ų | 29 | 19% | 0.188 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -7.9 | 175.7 | -70.3 | 167.7 | 0 | 0 | 0 | 113.5 | I579 L581 V620 C621 R622 L626 | I579-L624 HydrophobicContact CG2-CD2 3.79Å; I579-L624 HydrophobicContact CG2-CG 4.28Å; L581-L624 HydrophobicContact CD1-CD1 3.94Å; L581-L624 HydrophobicContact CD2-CD1 3.81Å; L581-L624 HydrophobicContact CG-CD1 3.58Å; V620-L624 HydrophobicContact CG1-CD1 3.92Å; V620-L624 WeakPolarHBondContact O-CB 3.29Å; V620-L624 WeakPolarHBondContact O-CG 3.3Å; V620-L624 PolarHBondContact O-N 3.36Å; C621-L624 PolarHBondContact O-N 2.98Å; R622-L624 VanDerWaalsContact C-N 3.26Å; R622-L624 PolarHBondContact O-N 3.02Å; L624-L626 VanDerWaalsContact C-N 3.31Å; L624-L626 HydrophobicContact CB-CD1 3.7Å; L624-L626 HydrophobicContact CB-CG 3.85Å; L624-L626 HydrophobicContact CD1-CD1 3.97Å; L624-L626 HydrophobicContact CG-CD1 4.45Å |
| 625 | G | 87.5 | Confident | 90.6 | Very high | 30 Ų | 30 | 33.6 Ų | 33.6 | 31% | 0.309 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 22.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | C621 R622 Q623 | C621-G625 PolarHBondContact O-N 2.71Å; C621-G625 VanDerWaalsContact O-N 3.14Å; R622-G625 PolarHBondContact O-N 3.16Å; Q623-G625 VanDerWaalsContact C-N 3.28Å |
| 626 | L | 90.5 | Very high | 90.4 | Very high | 45 Ų | 45 | 32.1 Ų | 32.1 | 24% | 0.236 | 16% | 0.161 | C | C | . | . | trans | -99.2 | 13.7 | -176 | -60.8 | 171.1 | 0 | 0 | 0 | 113.3 | L581 R587 C621 L624 C686 | L581-L626 HydrophobicContact CD1-CD1 3.9Å; R587-L626 WeakPolarHBondContact O-CD1 3.09Å; C621-L626 PolarHBondContact O-N 2.92Å; L624-L626 VanDerWaalsContact C-N 3.31Å; L624-L626 HydrophobicContact CB-CD1 3.7Å; L624-L626 HydrophobicContact CB-CG 3.85Å; L624-L626 HydrophobicContact CD1-CD1 3.97Å; L624-L626 HydrophobicContact CG-CD1 4.45Å; L626-C686 HydrophobicContact CB-CB 3.71Å; L626-C686 WeakPolarHBondContact O-CB 3.21Å | ||
| 627 | G | 92.2 | Very high | 89.9 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | trans | 86.2 | -142.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | P473 C621 R622 A687 | P473-G627 CarbonylContact O-C 3.59Å; P473-G627 WeakPolarHBondContact O-CA 3.41Å; C621-G627 CarbonylContact C-O 3.55Å; C621-G627 VanDerWaalsContact CB-O 3.29Å; C621-G627 WeakPolarHBondContact CB-O 3.36Å; R622-G627 PolarHBondContact N-O 3.29Å; G627-A687 CarbonylContact C-O 3.56Å | ||
| 628 | F | 93.8 | Very high | 89.5 | Confident | 10 Ų | 10 | 44.8 Ų | 44.8 | 4% | 0.044 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 158.4 | 178.2 | -57 | -77 | 0 | 0 | 0 | 111.4 | A471 G472 P473 M618 C686 A687 A690 | A471-F628 WeakPolarHBondContact O-CZ 3.45Å; G472-F628 VanDerWaalsContact C-CZ 3.5Å; G472-F628 WeakPolarHBondContact O-CE1 3.03Å; P473-F628 VanDerWaalsContact CA-CZ 3.48Å; P473-F628 HydrophobicContact CB-CD2 4Å; P473-F628 HydrophobicContact CB-CE2 3.57Å; P473-F628 HydrophobicContact CB-CZ 3.9Å; P473-F628 HydrophobicContact CG-CE2 4.33Å; P473-F628 VanDerWaalsContact N-CZ 3.34Å; M618-F628 HydrophobicContact CE-CB 4.16Å; M618-F628 HydrophobicContact SD-CB 3.83Å; M618-F628 HydrophobicContact SD-CD1 4.04Å; M618-F628 HydrophobicContact SD-CG 4.46Å; F628-C686 CarbonylContact O-C 3.53Å; F628-C686 WeakPolarHBondContact O-CA 3.05Å; F628-A687 PolarHBondContact N-O 2.93Å; F628-A687 PolarHBondContact O-N 3.49Å; F628-A690 HydrophobicContact CB-CB 3.98Å; F628-A690 HydrophobicContact CD1-CB 4.37Å; F628-A690 HydrophobicContact CD2-CB 3.87Å; F628-A690 HydrophobicContact CE2-CB 4.44Å; F628-A690 HydrophobicContact CG-CB 3.81Å |
| 629 | A | 94.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 124.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | L614 A617 M618 A864 | L614-A629 HydrophobicContact CD2-CB 4.35Å; A617-A629 VanDerWaalsContact C-CB 3.43Å; A617-A629 HydrophobicContact CB-CB 3.46Å; A617-A629 VanDerWaalsContact CB-CB 3.46Å; M618-A629 HydrophobicContact CE-CB 4.23Å; M618-A629 WeakPolarHBondContact CE-O 3.41Å; M618-A629 HydrophobicContact CG-CB 4.1Å; M618-A629 HydrophobicContact SD-CB 3.93Å; M618-A629 PolarHBondContact SD-N 2.96Å; A629-A864 WeakPolarHBondContact O-CB 3Å |
| 630 | S | 92.9 | Very high | 88.9 | Confident | 42 Ų | 42 | 49.4 Ų | 49.4 | 29% | 0.294 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -32.9 | 169 | 67.6 | 0 | 0 | 0 | 0 | 112.1 | T685 A864 | S630-T685 PolarHBondContact N-O 3.16Å; S630-T685 WeakPolarHBondContact OG-CB 3.42Å; S630-T685 WeakPolarHBondContact OG-CG2 2.98Å; S630-T685 PolarHBondContact OG-O 3.41Å; S630-A864 WeakPolarHBondContact O-CB 2.95Å |
| 631 | R | 91.4 | Very high | 88.2 | Confident | 151 Ų | 151 | 51.5 Ų | 51.5 | 57% | 0.57 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 142.8 | -180 | -71.9 | -168 | -88.6 | -160.7 | -4.2 | 111.8 | V684 T685 | R631-V684 WeakPolarHBondContact O-CA 3.44Å; R631-T685 PolarHBondContact N-O 3.44Å; R631-T685 PolarHBondContact O-N 3.41Å |
| 632 | A | 92.9 | Very high | 87.8 | Confident | 24 Ų | 24 | 53.1 Ų | 53.1 | 20% | 0.198 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 134.2 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | F612 G613 L614 A617 | F612-A632 HydrophobicContact CD1-CB 4.25Å; F612-A632 HydrophobicContact CE1-CB 4.37Å; G613-A632 WeakPolarHBondContact O-CB 3.17Å; L614-A632 HydrophobicContact CD2-CB 4.23Å; A617-A632 HydrophobicContact CB-CB 3.93Å |
| 633 | H | 90.6 | Very high | 87.4 | Confident | 35 Ų | 35 | 55.3 Ų | 55.3 | 16% | 0.162 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 125.8 | -178.3 | -61.5 | -91.1 | 0 | 0 | 0 | 110 | T636 W639 G683 T685 | H633-T636 HydrophobicContact CB-CG2 4.19Å; H633-W639 HydrophobicContact CB-CZ3 4.25Å; H633-W639 AromaticContact CD2-CH2 3.48Å; H633-W639 VanDerWaalsContact CD2-CH2 3.48Å; H633-W639 WeakPolarHBondContact CD2-CH2 3.47Å; H633-W639 AromaticContact CD2-CZ3 3.8Å; H633-W639 AromaticContact CG-CH2 3.99Å; H633-W639 AromaticContact NE2-CH2 3.57Å; H633-G683 PolarHBondContact N-O 2.96Å; H633-G683 PolarHBondContact O-N 2.97Å; H633-T685 PolarHBondContact NE2-OG1 3.49Å |
| 634 | E | 87.3 | Confident | 87.3 | Confident | 122 Ų | 122 | 58.8 Ų | 58.8 | 57% | 0.57 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -85.7 | -24.7 | 175.3 | -65.2 | -175.7 | -179.8 | 0 | 0 | 113.2 | S609 | S609-E634 WeakPolarHBondContact CB-O 3.45Å; S609-E634 PolarHBondContact OG-O 2.93Å |
| 635 | E | 83.3 | Confident | 87.2 | Confident | 105 Ų | 105 | 57 Ų | 57 | 49% | 0.491 | 31% | 0.305 | S | S | . | . | trans | -122.8 | 128.6 | 178.9 | -61.4 | -168.8 | 165.1 | 0 | 0 | 109.7 | F638 G679 R680 | E635-F638 WeakPolarHBondContact O-CE1 3.49Å; E635-F638 WeakPolarHBondContact O-CZ 3.49Å; E635-G679 WeakPolarHBondContact CA-O 3.39Å; E635-R680 HydrophobicContact CG-CG 4.45Å | ||
| 636 | T | 86.7 | Confident | 86.8 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.006 | 32% | 0.319 | C | S | . | . | trans | -133.6 | 24.7 | -172.7 | 65 | 0 | 0 | 0 | 0 | 112.4 | R591 H633 F638 W639 G679 A681 | R591-T636 HydrophobicContact CG-CG2 4.48Å; H633-T636 HydrophobicContact CB-CG2 4.19Å; T636-F638 PolarHBondContact O-N 2.04Å; T636-F638 VanDerWaalsContact O-N 3.14Å; T636-W639 HydrophobicContact CG2-CE3 3.68Å; T636-W639 HydrophobicContact CG2-CZ3 3.88Å; T636-W639 PolarHBondContact O-N 3.48Å; T636-G679 PolarHBondContact N-O 2.76Å; T636-A681 WeakPolarHBondContact CG2-O 3.24Å; T636-A681 PolarHBondContact OG1-O 2.76Å | ||
| 637 | W | 82.2 | Confident | 86.5 | Confident | 183 Ų | 183 | 65.5 Ų | 65.5 | 69% | 0.693 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -24.1 | 179.7 | 59 | -97.3 | 0 | 0 | 0 | 113.1 | G679 | W637-G679 PolarHBondContact N-O 3.43Š|
| 638 | F | 86 | Confident | 86.3 | Confident | 90 Ų | 90 | 66.5 Ų | 66.5 | 40% | 0.395 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -12.7 | 177.7 | 49.6 | -95.7 | 0 | 0 | 0 | 114 | E635 T636 | E635-F638 WeakPolarHBondContact O-CE1 3.49Å; E635-F638 WeakPolarHBondContact O-CZ 3.49Å; T636-F638 PolarHBondContact O-N 2.04Å; T636-F638 VanDerWaalsContact O-N 3.14Å |
| 639 | W | 87.7 | Confident | 86 | Confident | 16 Ų | 16 | 66.6 Ų | 66.6 | 6% | 0.061 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -99.1 | 111.5 | 174 | -73.2 | -36.7 | 0 | 0 | 0 | 110.5 | G583 E589 R591 H633 T636 G641 | G583-W639 VanDerWaalsContact C-CD1 3.48Å; E589-W639 HydrophobicContact CB-CH2 4.43Å; E589-W639 HydrophobicContact CB-CZ2 3.95Å; E589-W639 HydrophobicContact CG-CZ2 4.34Å; R591-W639 PolarHBondContact NH1-O 3.32Å; H633-W639 HydrophobicContact CB-CZ3 4.25Å; H633-W639 AromaticContact CD2-CH2 3.48Å; H633-W639 VanDerWaalsContact CD2-CH2 3.48Å; H633-W639 WeakPolarHBondContact CD2-CH2 3.47Å; H633-W639 AromaticContact CD2-CZ3 3.8Å; H633-W639 AromaticContact CG-CH2 3.99Å; H633-W639 AromaticContact NE2-CH2 3.57Å; T636-W639 HydrophobicContact CG2-CE3 3.68Å; T636-W639 HydrophobicContact CG2-CZ3 3.88Å; T636-W639 PolarHBondContact O-N 3.48Å; W639-G641 PolarHBondContact O-N 2.86Å |
| 640 | P | 82.2 | Confident | 85.7 | Confident | 94 Ų | 94 | 66.7 Ų | 66.7 | 61% | 0.61 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 137.3 | -179.4 | 26.6 | -33.7 | 0 | 0 | 0 | 109.7 | G583 | G583-P640 VanDerWaalsContact CA-O 3.24Å; G583-P640 WeakPolarHBondContact CA-O 3.42Å |
| 641 | G | 76.3 | Confident | 85.5 | Confident | 44 Ų | 44 | 64.8 Ų | 64.8 | 45% | 0.454 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -90 | 156.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 117 | W639 | W639-G641 PolarHBondContact O-N 2.86Š|
| 642 | S | 83.4 | Confident | 85.1 | Confident | 33 Ų | 33 | 58.6 Ų | 58.6 | 23% | 0.231 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 134.1 | 164.8 | -44.8 | 0 | 0 | 0 | 0 | 109 | R580 E593 D644 A645 | R580-S642 PolarHBondContact NH2-OG 3.23Å; E593-S642 PolarHBondContact OE1-N 3.36Å; E593-S642 VanDerWaalsContact OE1-N 3.16Å; E593-S642 PolarHBondContact OE1-OG 2.98Å; E593-S642 VanDerWaalsContact OE2-CB 3.26Å; E593-S642 WeakPolarHBondContact OE2-CB 3.46Å; E593-S642 PolarHBondContact OE2-OG 3.16Å; S642-D644 WeakPolarHBondContact CB-OD1 3.44Å; S642-D644 PolarHBondContact O-N 2.93Å; S642-A645 PolarHBondContact O-N 3.48Å; S642-A645 VanDerWaalsContact O-N 3.11Å |
| 643 | S | 82.1 | Confident | 84.9 | Confident | 93 Ų | 93 | 57.6 Ų | 57.6 | 65% | 0.65 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -64.1 | -24.3 | -174.1 | 52.1 | 0 | 0 | 0 | 0 | 113.8 | A645 | S643-A645 VanDerWaalsContact C-N 3.34Š|
| 644 | D | 83.3 | Confident | 84.9 | Confident | 79 Ų | 79 | 61.3 Ų | 61.3 | 42% | 0.422 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -81.9 | -6.7 | 178.6 | 59.6 | -24.6 | 0 | 0 | 0 | 113.7 | R580 W604 S642 | R580-D644 IonicContact CZ-OD2 3.45Å; R580-D644 IonicContact NH1-OD2 2.83Å; R580-D644 VanDerWaalsContact NH2-CG 3.32Å; R580-D644 IonicContact NH2-OD1 3.96Å; R580-D644 PolarHBondContact NH2-OD1 3.39Å; R580-D644 IonicContact NH2-OD2 3.27Å; R580-D644 PolarHBondContact NH2-OD2 3.42Å; W604-D644 CarbonylContact C-O 3.46Å; W604-D644 VanDerWaalsContact O-O 3.09Å; S642-D644 WeakPolarHBondContact CB-OD1 3.44Å; S642-D644 PolarHBondContact O-N 2.93Å |
| 645 | A | 84.1 | Confident | 85 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -121.7 | 28.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | E593 W604 S606 S642 S643 | E593-A645 HydrophobicContact CB-CB 4.16Å; E593-A645 HydrophobicContact CG-CB 3.79Å; W604-A645 HydrophobicContact CB-CB 4.07Å; S606-A645 PolarHBondContact N-O 2.78Å; S642-A645 PolarHBondContact O-N 3.48Å; S642-A645 VanDerWaalsContact O-N 3.11Å; S643-A645 VanDerWaalsContact C-N 3.34Å |
| 646 | R | 79.5 | Confident | 84.9 | Confident | 161 Ų | 161 | 54.9 Ų | 54.9 | 61% | 0.608 | 29% | 0.294 | S | S | * | . | trans | -66.2 | -43.2 | -176.9 | -72.9 | -179 | 176.7 | 179.2 | -0.6 | 113.5 | ||||
| 647 | D | 85 | Confident | 84.6 | Confident | 92 Ų | 92 | 55.5 Ų | 55.5 | 49% | 0.492 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -79.1 | 147.4 | -176.9 | -50.4 | -34.3 | 0 | 0 | 0 | 111.1 | R603 G605 S606 | R603-D647 IonicContact CZ-OD2 3.69Å; R603-D647 IonicContact NH1-OD2 3.56Å; R603-D647 VanDerWaalsContact NH2-CB 3.28Å; R603-D647 IonicContact NH2-OD2 3.6Å; R603-D647 PolarHBondContact NH2-OD2 2.74Å; G605-D647 CarbonylContact C-O 3.51Å; G605-D647 VanDerWaalsContact CA-O 3.23Å; G605-D647 WeakPolarHBondContact CA-O 3.08Å; S606-D647 PolarHBondContact N-O 3.38Å; S606-D647 PolarHBondContact OG-O 2.74Å |
| 648 | V | 87.4 | Confident | 84.4 | Confident | 22 Ų | 22 | 51.3 Ų | 51.3 | 13% | 0.133 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 128.7 | 170.9 | -178.6 | 0 | 0 | 0 | 0 | 109 | S606 C608 V671 C673 | S606-V648 WeakPolarHBondContact O-CA 3.47Å; S606-V648 WeakPolarHBondContact OG-CA 3.31Å; C608-V648 HydrophobicContact CB-CG1 3.85Å; V648-V671 HydrophobicContact CB-CG1 4.32Å; V648-V671 HydrophobicContact CG1-CG1 3.9Å; V648-C673 HydrophobicContact CG1-CB 4.13Å |
| 649 | L | 87.9 | Confident | 84.2 | Confident | 12 Ų | 12 | 48.3 Ų | 48.3 | 6% | 0.063 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | -19.3 | 178.4 | -73.1 | -175.1 | 0 | 0 | 0 | 114.2 | M596 V598 R603 W604 S606 V671 | M596-L649 HydrophobicContact CB-CD1 4.37Å; M596-L649 HydrophobicContact SD-CB 4.17Å; V598-L649 HydrophobicContact CG2-CD2 3.96Å; R603-L649 HydrophobicContact CG-CD1 3.74Å; R603-L649 WeakPolarHBondContact O-CD1 3.02Å; W604-L649 WeakPolarHBondContact O-CD1 3.31Å; S606-L649 PolarHBondContact O-N 3.47Å; L649-V671 VanDerWaalsContact O-CG2 3.25Å; L649-V671 WeakPolarHBondContact O-CG2 3.24Å |
| 650 | L | 87 | Confident | 83.7 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 123.4 | -177.2 | -173.4 | 65 | 0 | 0 | 0 | 108.6 | V594 M596 V607 C608 T653 V662 R667 | V594-L650 HydrophobicContact CG2-CB 4.16Å; V594-L650 HydrophobicContact CG2-CD2 4.48Å; M596-L650 HydrophobicContact SD-CB 4.02Å; M596-L650 HydrophobicContact SD-CD1 4.13Å; V607-L650 HydrophobicContact CG1-CB 4.33Å; V607-L650 HydrophobicContact CG1-CD2 4.19Å; V607-L650 HydrophobicContact CG1-CG 4.36Å; V607-L650 HydrophobicContact CG2-CB 4.25Å; V607-L650 HydrophobicContact CG2-CD2 4.08Å; C608-L650 WeakPolarHBondContact CB-O 3.42Å; C608-L650 PolarHBondContact N-O 3.42Å; L650-T653 HydrophobicContact CD1-CG2 4.01Å; L650-T653 HydrophobicContact CD2-CG2 3.44Å; L650-T653 VanDerWaalsContact CD2-CG2 3.44Å; L650-T653 HydrophobicContact CG-CG2 3.37Å; L650-V662 HydrophobicContact CD2-CG1 4.4Å; L650-V662 HydrophobicContact CD2-CG2 4.35Å; L650-R667 HydrophobicContact CD1-CB 4.03Å; L650-R667 VanDerWaalsContact CD1-CD 3.44Å; L650-R667 HydrophobicContact CD1-CG 4.38Å |
| 651 | S | 88.6 | Confident | 83.6 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.014 | 26% | 0.263 | C | S | . | . | trans | -141.5 | 158.3 | 177.6 | 83.6 | 0 | 0 | 0 | 0 | 112.9 | T653 N668 Y672 | S651-T653 PolarHBondContact O-N 2.76Å; S651-N668 PolarHBondContact O-N 3.4Å; S651-N668 VanDerWaalsContact O-N 3.1Å; S651-Y672 VanDerWaalsContact CB-O 3.25Å; S651-Y672 WeakPolarHBondContact CB-O 3.46Å; S651-Y672 PolarHBondContact OG-N 2.97Å; S651-Y672 PolarHBondContact OG-O 3.06Å | ||
| 652 | G | 84.3 | Confident | 84.1 | Confident | 21 Ų | 21 | 43.4 Ų | 43.4 | 22% | 0.216 | 24% | 0.241 | C | C | . | . | S | Bend | trans | 61 | 35.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | H654 R666 R667 | G652-H654 PolarHBondContact O-N 2.75Å; G652-R666 VanDerWaalsContact O-O 3.13Å; G652-R667 WeakPolarHBondContact O-CA 3.45Å |
| 653 | T | 88.4 | Confident | 84.1 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | trans | -66.3 | 119 | 176.5 | 47.1 | 0 | 0 | 0 | 0 | 109.2 | V607 L650 S651 R666 | V607-T653 HydrophobicContact CG1-CG2 4.07Å; L650-T653 HydrophobicContact CD1-CG2 4.01Å; L650-T653 HydrophobicContact CD2-CG2 3.44Å; L650-T653 VanDerWaalsContact CD2-CG2 3.44Å; L650-T653 HydrophobicContact CG-CG2 3.37Å; S651-T653 PolarHBondContact O-N 2.76Å; T653-R666 CarbonylContact C-O 3.54Å; T653-R666 WeakPolarHBondContact CA-O 3.46Å | ||
| 654 | H | 90.9 | Very high | 84.1 | Confident | 113 Ų | 113 | 43.2 Ų | 43.2 | 52% | 0.523 | 23% | 0.226 | S | C | . | . | B | Isolated β-bridge | trans | -131.1 | 111.8 | 175.2 | -172.4 | 59.6 | 0 | 0 | 0 | 109.7 | E616 G652 C665 R666 | E616-H654 VanDerWaalsContact OE1-CA 3.32Å; E616-H654 WeakPolarHBondContact OE1-CA 3.47Å; E616-H654 IonicContact OE1-ND1 2.82Å; G652-H654 PolarHBondContact O-N 2.75Å; H654-C665 WeakPolarHBondContact O-CB 3.15Å; H654-R666 HydrophobicContact CB-CB 4.49Å; H654-R666 PolarHBondContact N-O 2.99Å; H654-R666 PolarHBondContact O-N 3.35Å |
| 655 | C | 88.1 | Confident | 84.3 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.007 | 21% | 0.208 | C | C | . | . | trans | -105.7 | 142.1 | -179.4 | -57.4 | 0 | 0 | 0 | 0 | 109.9 | E616 V619 E659 C665 | E616-C655 HydrophobicContact CG-CB 4.23Å; E616-C655 PolarHBondContact OE1-N 2.91Å; V619-C655 HydrophobicContact CG2-CB 3.92Å; C655-E659 WeakPolarHBondContact CB-OE2 2.98Å; C655-C665 HydrophobicContact CB-CB 4.02Å; C655-C665 WeakPolarHBondContact CB-SG 3.08Å; C655-C665 WeakPolarHBondContact SG-CB 3.11Å; C655-C665 CovalentContact SG-SG 2.03Å; C655-C665 PolarHBondContact SG-SG 3.09Å | ||
| 656 | T | 82.5 | Confident | 84.5 | Confident | 92 Ų | 92 | 49.2 Ų | 49.2 | 56% | 0.564 | 24% | 0.244 | S | C | * | . | trans | -72.9 | -21.9 | 165.4 | 60.5 | 0 | 0 | 0 | 0 | 111.9 | T658 E659 | T656-T658 PolarHBondContact OG1-OG1 3.01Å; T656-T658 VanDerWaalsContact OG1-OG1 3.05Å; T656-E659 WeakPolarHBondContact CB-OE1 3.28Å; T656-E659 PolarHBondContact N-OE1 3.2Å; T656-E659 PolarHBondContact N-OE2 2.63Å; T656-E659 PolarHBondContact OG1-OE1 3.21Å; T656-E659 PolarHBondContact OG1-OE2 3.25Å | ||
| 657 | G | 79.8 | Confident | 84.8 | Confident | 14 Ų | 14 | 47.6 Ų | 47.6 | 14% | 0.144 | 24% | 0.237 | C | C | . | . | S | Bend | trans | 99.5 | -4.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | R622 E659 | R622-G657 VanDerWaalsContact CZ-O 3.26Å; R622-G657 PolarHBondContact NH1-O 3.41Å; R622-G657 PolarHBondContact NH2-O 2.82Å; G657-E659 PolarHBondContact N-OE2 3.17Å |
| 658 | T | 77.6 | Confident | 84.7 | Confident | 94 Ų | 94 | 47 Ų | 47 | 58% | 0.577 | 24% | 0.235 | S | C | * | . | trans | -101 | -9.1 | 178 | 61.4 | 0 | 0 | 0 | 0 | 113.4 | T656 | T656-T658 PolarHBondContact OG1-OG1 3.01Å; T656-T658 VanDerWaalsContact OG1-OG1 3.05Å | ||
| 659 | E | 81.7 | Confident | 84.2 | Confident | 27 Ų | 27 | 50 Ų | 50 | 13% | 0.126 | 27% | 0.269 | C | S | . | . | trans | -62 | 146.7 | -177.7 | -62.5 | 82.8 | 176.2 | 0 | 0 | 111.6 | V619 R622 C655 T656 G657 S661 Q664 | V619-E659 HydrophobicContact CG1-CB 4.15Å; V619-E659 HydrophobicContact CG2-CB 4.11Å; R622-E659 PolarHBondContact NH2-O 3.3Å; C655-E659 WeakPolarHBondContact CB-OE2 2.98Å; T656-E659 WeakPolarHBondContact CB-OE1 3.28Å; T656-E659 PolarHBondContact N-OE1 3.2Å; T656-E659 PolarHBondContact N-OE2 2.63Å; T656-E659 PolarHBondContact OG1-OE1 3.21Å; T656-E659 PolarHBondContact OG1-OE2 3.25Å; G657-E659 PolarHBondContact N-OE2 3.17Å; E659-S661 VanDerWaalsContact C-N 3.32Å; E659-Q664 HydrophobicContact CB-CB 4.41Å | ||
| 660 | M | 77.5 | Confident | 83.9 | Confident | 44 Ų | 44 | 57.5 Ų | 57.5 | 22% | 0.217 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -85.3 | -14.9 | -178.3 | -60 | -74.7 | -76.1 | 0 | 0 | 112 | F451 I475 | F451-M660 HydrophobicContact CE1-CE 3.72Å; F451-M660 HydrophobicContact CZ-CE 3.98Å; I475-M660 HydrophobicContact CB-CE 4.18Å; I475-M660 HydrophobicContact CB-SD 4.43Å; I475-M660 HydrophobicContact CD1-CE 3.53Å; I475-M660 HydrophobicContact CD1-SD 3.74Å; I475-M660 HydrophobicContact CG1-CE 3.8Å; I475-M660 HydrophobicContact CG1-SD 3.64Å; I475-M660 HydrophobicContact CG2-CE 3.32Å; I475-M660 HydrophobicContact CG2-SD 3.93Å |
| 661 | S | 81.4 | Confident | 83.6 | Confident | 7 Ų | 7 | 61.1 Ų | 61.1 | 5% | 0.049 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -154.6 | 143.4 | -177 | 124.2 | 0 | 0 | 0 | 0 | 109.8 | V619 E659 Q663 Q664 | V619-S661 VanDerWaalsContact CG1-C 3.43Å; E659-S661 VanDerWaalsContact C-N 3.32Å; S661-Q663 PolarHBondContact O-N 2.91Å; S661-Q663 PolarHBondContact OG-N 3.26Å; S661-Q663 PolarHBondContact OG-OE1 2.84Å; S661-Q664 WeakPolarHBondContact O-CB 3.15Å; S661-Q664 PolarHBondContact O-N 3.42Å |
| 662 | V | 86.2 | Confident | 83.3 | Confident | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.006 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -63.3 | -25 | 179.1 | 72.6 | 0 | 0 | 0 | 0 | 112 | I579 V594 V619 V620 L650 Q664 C665 | I579-V662 HydrophobicContact CD1-CG1 3.87Å; V594-V662 HydrophobicContact CG1-CG1 4.1Å; V619-V662 HydrophobicContact CG1-CB 4.31Å; V620-V662 HydrophobicContact CG2-CB 4Å; V620-V662 HydrophobicContact CG2-CG1 4.42Å; V620-V662 HydrophobicContact CG2-CG2 3.99Å; L650-V662 HydrophobicContact CD2-CG1 4.4Å; L650-V662 HydrophobicContact CD2-CG2 4.35Å; V662-Q664 PolarHBondContact O-N 2.93Å; V662-C665 WeakPolarHBondContact O-CB 3.32Å; V662-C665 PolarHBondContact O-N 3.36Å |
| 663 | Q | 83.1 | Confident | 83.1 | Confident | 41 Ų | 41 | 68.5 Ų | 68.5 | 19% | 0.192 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -71.1 | -18.4 | 175.6 | -58.3 | 83.7 | -2.3 | 0 | 0 | 113.2 | Q578 S661 | Q578-Q663 PolarHBondContact O-NE2 3.33Å; S661-Q663 PolarHBondContact O-N 2.91Å; S661-Q663 PolarHBondContact OG-N 3.26Å; S661-Q663 PolarHBondContact OG-OE1 2.84Å |
| 664 | Q | 82.1 | Confident | 82.3 | Confident | 81 Ų | 81 | 71.9 Ų | 71.9 | 38% | 0.379 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -84.7 | -17.8 | 174.7 | -62.7 | 176.2 | -5.6 | 0 | 0 | 112.7 | E659 S661 V662 | E659-Q664 HydrophobicContact CB-CB 4.41Å; S661-Q664 WeakPolarHBondContact O-CB 3.15Å; S661-Q664 PolarHBondContact O-N 3.42Å; V662-Q664 PolarHBondContact O-N 2.93Å |
| 665 | C | 86.6 | Confident | 81.1 | Confident | 4 Ų | 4 | 75.1 Ų | 75.1 | 3% | 0.027 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -63.3 | 155 | 176.5 | -59.2 | 0 | 0 | 0 | 0 | 111 | H654 C655 V662 R667 | H654-C665 WeakPolarHBondContact O-CB 3.15Å; C655-C665 HydrophobicContact CB-CB 4.02Å; C655-C665 WeakPolarHBondContact CB-SG 3.08Å; C655-C665 WeakPolarHBondContact SG-CB 3.11Å; C655-C665 CovalentContact SG-SG 2.03Å; C655-C665 PolarHBondContact SG-SG 3.09Å; V662-C665 WeakPolarHBondContact O-CB 3.32Å; V662-C665 PolarHBondContact O-N 3.36Å; C665-R667 PolarHBondContact O-N 2.97Å |
| 666 | R | 88.3 | Confident | 79.5 | Confident | 201 Ų | 201 | 76.5 Ų | 76.5 | 76% | 0.758 | 40% | 0.396 | S | S | * | . | B | Isolated β-bridge | trans | -60.6 | 136 | 174.6 | -175.8 | 177.2 | 174.5 | 178.9 | -2.4 | 108.3 | G652 T653 H654 | G652-R666 VanDerWaalsContact O-O 3.13Å; T653-R666 CarbonylContact C-O 3.54Å; T653-R666 WeakPolarHBondContact CA-O 3.46Å; H654-R666 HydrophobicContact CB-CB 4.49Å; H654-R666 PolarHBondContact N-O 2.99Å; H654-R666 PolarHBondContact O-N 3.35Å |
| 667 | R | 86.6 | Confident | 78.2 | Confident | 126 Ų | 126 | 73.9 Ų | 73.9 | 48% | 0.475 | 39% | 0.386 | S | S | . | . | trans | -144.3 | 160.3 | -177.1 | 64.9 | -176.5 | 178.7 | 107.5 | -3.8 | 111.6 | L650 G652 C665 | L650-R667 HydrophobicContact CD1-CB 4.03Å; L650-R667 VanDerWaalsContact CD1-CD 3.44Å; L650-R667 HydrophobicContact CD1-CG 4.38Å; G652-R667 WeakPolarHBondContact O-CA 3.45Å; C665-R667 PolarHBondContact O-N 2.97Å | ||
| 668 | N | 83.6 | Confident | 77.2 | Confident | 81 Ų | 81 | 80.5 Ų | 80.5 | 43% | 0.433 | 42% | 0.419 | S | S | . | . | trans | -72.9 | 140.1 | 173.1 | -67.4 | -19.3 | 0 | 0 | 0 | 110.5 | S651 Q670 | S651-N668 PolarHBondContact O-N 3.4Å; S651-N668 VanDerWaalsContact O-N 3.1Å; N668-Q670 VanDerWaalsContact C-N 3.34Å; N668-Q670 WeakPolarHBondContact CB-O 3.42Å | ||
| 669 | G | 76.9 | Confident | 76.4 | Confident | 83 Ų | 83 | 76.6 Ų | 76.6 | 86% | 0.856 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -70.4 | -30.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 670 | Q | 79.9 | Confident | 75.9 | Confident | 170 Ų | 170 | 80.8 Ų | 80.8 | 79% | 0.794 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -108.9 | 137 | 169.4 | -70.7 | -176.2 | -27.8 | 0 | 0 | 109.3 | N668 Y672 | N668-Q670 VanDerWaalsContact C-N 3.34Å; N668-Q670 WeakPolarHBondContact CB-O 3.42Å; Q670-Y672 PolarHBondContact O-N 3.09Å; Q670-Y672 VanDerWaalsContact O-N 3.1Å |
| 671 | V | 81.3 | Confident | 76.4 | Confident | 79 Ų | 79 | 78.9 Ų | 78.9 | 48% | 0.479 | 40% | 0.403 | S | S | . | . | trans | -72.7 | 107.1 | 176 | -175.2 | 0 | 0 | 0 | 0 | 108.4 | V648 L649 | V648-V671 HydrophobicContact CB-CG1 4.32Å; V648-V671 HydrophobicContact CG1-CG1 3.9Å; L649-V671 VanDerWaalsContact O-CG2 3.25Å; L649-V671 WeakPolarHBondContact O-CG2 3.24Å | ||
| 672 | Y | 82 | Confident | 76.9 | Confident | 155 Ų | 155 | 78.6 Ų | 78.6 | 61% | 0.608 | 40% | 0.401 | S | S | * | . | trans | -119.6 | 117.7 | 170.3 | -176 | -108.6 | 0 | 0 | 0 | 108.2 | S651 Q670 P674 | S651-Y672 VanDerWaalsContact CB-O 3.25Å; S651-Y672 WeakPolarHBondContact CB-O 3.46Å; S651-Y672 PolarHBondContact OG-N 2.97Å; S651-Y672 PolarHBondContact OG-O 3.06Å; Q670-Y672 PolarHBondContact O-N 3.09Å; Q670-Y672 VanDerWaalsContact O-N 3.1Å; Y672-P674 HydrophobicContact CD1-CG 4.26Å; Y672-P674 HydrophobicContact CE1-CB 4.2Å; Y672-P674 VanDerWaalsContact CE1-CD 3.44Å; Y672-P674 HydrophobicContact CE1-CG 3.55Å; Y672-P674 HydrophobicContact CE2-CB 4.31Å; Y672-P674 HydrophobicContact CE2-CG 4.5Å | ||
| 673 | C | 81.3 | Confident | 77.2 | Confident | 23 Ų | 23 | 78.5 Ų | 78.5 | 16% | 0.155 | 40% | 0.4 | C | S | . | . | trans | -146 | 79.6 | 176.2 | -163.6 | 0 | 0 | 0 | 0 | 107 | C608 V648 R675 G676 | C608-C673 HydrophobicContact CB-CB 3.83Å; C608-C673 WeakPolarHBondContact CB-SG 3.44Å; C608-C673 WeakPolarHBondContact SG-CB 3.46Å; C608-C673 CovalentContact SG-SG 2.04Å; C608-C673 PolarHBondContact SG-SG 2.91Å; V648-C673 HydrophobicContact CG1-CB 4.13Å; C673-R675 PolarHBondContact O-N 3.14Å; C673-G676 PolarHBondContact O-N 3.36Å; C673-G676 WeakPolarHBondContact SG-CA 3.26Å | ||
| 674 | P | 70.7 | Confident | 77.8 | Confident | 73 Ų | 73 | 76.6 Ų | 76.6 | 47% | 0.474 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -12.2 | -171.3 | 22.6 | -32.4 | 0 | 0 | 0 | 113.5 | E610 Y672 | E610-P674 WeakPolarHBondContact OE2-CD 3.3Å; Y672-P674 HydrophobicContact CD1-CG 4.26Å; Y672-P674 HydrophobicContact CE1-CB 4.2Å; Y672-P674 VanDerWaalsContact CE1-CD 3.44Å; Y672-P674 HydrophobicContact CE1-CG 3.55Å; Y672-P674 HydrophobicContact CE2-CB 4.31Å; Y672-P674 HydrophobicContact CE2-CG 4.5Å |
| 675 | R | 65.9 | Low | 78.4 | Confident | 181 Ų | 181 | 73.6 Ų | 73.6 | 68% | 0.683 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.6 | 10.1 | 177 | -63.7 | 179.3 | -179.3 | -173 | 4.7 | 113.9 | C673 R680 | C673-R675 PolarHBondContact O-N 3.14Å; R675-R680 WeakPolarHBondContact O-CB 3.4Å; R675-R680 WeakPolarHBondContact O-CD 3.48Å |
| 676 | G | 55.1 | Low | 78.8 | Confident | 30 Ų | 30 | 74.2 Ų | 74.2 | 31% | 0.309 | 38% | 0.383 | S | S | . | . | trans | -96.1 | 137.2 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | C673 | C673-G676 PolarHBondContact O-N 3.36Å; C673-G676 WeakPolarHBondContact SG-CA 3.26Å | ||
| 677 | G | 55.3 | Low | 79.1 | Confident | 36 Ų | 36 | 66.2 Ų | 66.2 | 37% | 0.371 | 36% | 0.36 | S | S | . | . | S | Bend | trans | 123.6 | 135 | 180 | 0 | 0 | 0 | 0 | 0 | 112.5 | G679 | G677-G679 PolarHBondContact O-N 3.33Š|
| 678 | D | 58.9 | Low | 79.4 | Confident | 154 Ų | 154 | 64.8 Ų | 64.8 | 82% | 0.824 | 36% | 0.358 | S | S | * | . | S | Bend | trans | 48.2 | 56.2 | 179.2 | -75.9 | -19 | 0 | 0 | 0 | 116 | ||
| 679 | G | 59.8 | Low | 79.8 | Confident | 12 Ų | 12 | 64.2 Ų | 64.2 | 12% | 0.124 | 36% | 0.358 | C | S | . | . | S | Bend | trans | 134.2 | -11.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | E635 T636 W637 G677 | E635-G679 WeakPolarHBondContact CA-O 3.39Å; T636-G679 PolarHBondContact N-O 2.76Å; W637-G679 PolarHBondContact N-O 3.43Å; G677-G679 PolarHBondContact O-N 3.33Å |
| 680 | R | 70.9 | Confident | 80.7 | Confident | 115 Ų | 115 | 60.4 Ų | 60.4 | 43% | 0.434 | 32% | 0.319 | S | S | . | . | trans | -124.6 | 52.9 | 177.3 | -53.7 | -173.3 | -145.9 | 172.2 | 5.2 | 111.3 | S609 E635 R675 | S609-R680 PolarHBondContact OG-O 3.4Å; E635-R680 HydrophobicContact CG-CG 4.45Å; R675-R680 WeakPolarHBondContact O-CB 3.4Å; R675-R680 WeakPolarHBondContact O-CD 3.48Å | ||
| 681 | A | 87.6 | Confident | 81.5 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 3% | 0.033 | 28% | 0.284 | C | S | . | . | B | Isolated β-bridge | trans | -98.2 | 156.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | R591 V607 T636 | R591-A681 VanDerWaalsContact CD-CB 3.5Å; R591-A681 HydrophobicContact CG-CB 3.77Å; V607-A681 CarbonylContact O-C 3.56Å; V607-A681 WeakPolarHBondContact O-CA 3.4Å; T636-A681 WeakPolarHBondContact CG2-O 3.24Å; T636-A681 PolarHBondContact OG1-O 2.76Å |
| 682 | A | 92 | Very high | 82.2 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -66.5 | 140.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | R591 V592 V607 F612 | R591-A682 WeakPolarHBondContact CG-O 3.09Å; V592-A682 PolarHBondContact N-O 3.08Å; V607-A682 HydrophobicContact CB-CB 4.07Å; V607-A682 HydrophobicContact CG1-CB 4.19Å; V607-A682 PolarHBondContact O-N 3.49Å; F612-A682 HydrophobicContact CB-CB 4.02Å; F612-A682 HydrophobicContact CD1-CB 3.67Å; F612-A682 HydrophobicContact CD2-CB 3.56Å; F612-A682 HydrophobicContact CE1-CB 3.98Å; F612-A682 HydrophobicContact CE2-CB 3.87Å; F612-A682 HydrophobicContact CG-CB 3.46Å; F612-A682 VanDerWaalsContact CG-CB 3.46Å; F612-A682 HydrophobicContact CZ-CB 4.08Å | ||
| 683 | G | 93.1 | Very high | 82.8 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 161.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | G590 H633 | G590-G683 VanDerWaalsContact O-CA 3.3Å; G590-G683 WeakPolarHBondContact O-CA 3Å; H633-G683 PolarHBondContact N-O 2.96Å; H633-G683 PolarHBondContact O-N 2.97Å |
| 684 | V | 95.2 | Very high | 83.5 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 154 | -180 | -60.4 | 0 | 0 | 0 | 0 | 110.9 | L581 E589 G590 V592 F612 A617 V620 R631 | L581-V684 HydrophobicContact CD1-CG2 3.95Å; L581-V684 HydrophobicContact CD2-CG2 3.48Å; L581-V684 VanDerWaalsContact CD2-CG2 3.48Å; L581-V684 HydrophobicContact CG-CG2 4.39Å; E589-V684 VanDerWaalsContact CA-O 3.28Å; E589-V684 WeakPolarHBondContact CA-O 3.42Å; G590-V684 PolarHBondContact N-O 3.44Å; G590-V684 VanDerWaalsContact N-O 3.08Å; G590-V684 PolarHBondContact O-N 3.29Å; V592-V684 HydrophobicContact CG2-CB 4.49Å; V592-V684 HydrophobicContact CG2-CG1 3.84Å; V592-V684 HydrophobicContact CG2-CG2 4.05Å; F612-V684 HydrophobicContact CE1-CG1 3.77Å; F612-V684 HydrophobicContact CZ-CG1 3.96Å; A617-V684 HydrophobicContact CB-CB 4.39Å; A617-V684 HydrophobicContact CB-CG1 3.57Å; V620-V684 HydrophobicContact CB-CG1 4.4Å; V620-V684 HydrophobicContact CG1-CG1 4.31Å; V620-V684 HydrophobicContact CG1-CG2 3.94Å; R631-V684 WeakPolarHBondContact O-CA 3.44Å |
| 685 | T | 95 | Very high | 84.6 | Confident | 18 Ų | 18 | 37.6 Ų | 37.6 | 11% | 0.11 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 120.3 | 163.6 | -56.5 | 0 | 0 | 0 | 0 | 107.7 | G588 E589 S630 R631 H633 | G588-T685 CarbonylContact O-C 3.55Å; E589-T685 HydrophobicContact CB-CG2 4.2Å; S630-T685 PolarHBondContact N-O 3.16Å; S630-T685 WeakPolarHBondContact OG-CB 3.42Å; S630-T685 WeakPolarHBondContact OG-CG2 2.98Å; S630-T685 PolarHBondContact OG-O 3.41Å; R631-T685 PolarHBondContact N-O 3.44Å; R631-T685 PolarHBondContact O-N 3.41Å; H633-T685 PolarHBondContact NE2-OG1 3.49Å |
| 686 | C | 95.3 | Very high | 85.9 | Confident | 17 Ų | 17 | 30.3 Ų | 30.3 | 12% | 0.115 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 154.6 | -177.3 | -49.7 | 0 | 0 | 0 | 0 | 111.9 | G588 C621 L626 F628 | G588-C686 WeakPolarHBondContact O-CB 3.44Å; G588-C686 PolarHBondContact O-N 3.02Å; C621-C686 VanDerWaalsContact CA-SG 3.5Å; C621-C686 HydrophobicContact CB-CB 3.72Å; C621-C686 WeakPolarHBondContact CB-SG 3.49Å; C621-C686 WeakPolarHBondContact SG-CA 3.03Å; C621-C686 WeakPolarHBondContact SG-CB 3.18Å; C621-C686 CovalentContact SG-SG 2.04Å; C621-C686 PolarHBondContact SG-SG 3.42Å; L626-C686 HydrophobicContact CB-CB 3.71Å; L626-C686 WeakPolarHBondContact O-CB 3.21Å; F628-C686 CarbonylContact O-C 3.53Å; F628-C686 WeakPolarHBondContact O-CA 3.05Å |
| 687 | A | 94.3 | Very high | 87.7 | Confident | 33 Ų | 33 | 29.7 Ų | 29.7 | 27% | 0.273 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 147.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | G627 F628 T689 | G627-A687 CarbonylContact C-O 3.56Å; F628-A687 PolarHBondContact N-O 2.93Å; F628-A687 PolarHBondContact O-N 3.49Å; A687-T689 VanDerWaalsContact C-N 3.26Å; A687-T689 PolarHBondContact O-N 3.18Å |
| 688 | E | 92.6 | Very high | 89.3 | Confident | 97 Ų | 97 | 33.7 Ų | 33.7 | 45% | 0.453 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -72.3 | -19.2 | 179 | -69.7 | -71.1 | 147.3 | 0 | 0 | 113.3 | R474 | R474-E688 IonicContact CZ-OE2 2.87Å; R474-E688 IonicContact NH1-OE1 3.17Å; R474-E688 PolarHBondContact NH1-OE1 3.28Å; R474-E688 IonicContact NH1-OE2 2.81Å; R474-E688 PolarHBondContact NH1-OE2 3.2Å; R474-E688 IonicContact NH2-OE2 2.7Å; R474-E688 PolarHBondContact NH2-OE2 3.38Å |
| 689 | T | 93.8 | Very high | 91 | Very high | 68 Ų | 68 | 27.9 Ų | 27.9 | 42% | 0.417 | 15% | 0.15 | S | C | . | . | trans | -132 | 146.1 | -176.8 | 55.2 | 0 | 0 | 0 | 0 | 111 | A687 L751 | A687-T689 VanDerWaalsContact C-N 3.26Å; A687-T689 PolarHBondContact O-N 3.18Å; T689-L751 HydrophobicContact CG2-CB 3.92Å; T689-L751 HydrophobicContact CG2-CD1 4.39Å | ||
| 690 | A | 95.4 | Very high | 92.6 | Very high | 4 Ų | 4 | 27.3 Ų | 27.3 | 3% | 0.033 | 14% | 0.144 | C | C | . | . | trans | -137.7 | 155.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | F628 L751 A752 | F628-A690 HydrophobicContact CB-CB 3.98Å; F628-A690 HydrophobicContact CD1-CB 4.37Å; F628-A690 HydrophobicContact CD2-CB 3.87Å; F628-A690 HydrophobicContact CE2-CB 4.44Å; F628-A690 HydrophobicContact CG-CB 3.81Å; A690-L751 PolarHBondContact O-N 3.31Å; A690-A752 PolarHBondContact O-N 2.63Å | ||
| 691 | P | 95.9 | Very high | 93.7 | Very high | 12 Ų | 12 | 25.2 Ų | 25.2 | 8% | 0.078 | 14% | 0.139 | C | C | . | . | trans | -69.2 | 170 | 168.4 | 31.9 | -35.9 | 0 | 0 | 0 | 111.1 | N748 A752 F754 A864 E865 S866 | P691-N748 WeakPolarHBondContact CA-OD1 3.33Å; P691-A752 WeakPolarHBondContact CA-O 3.5Å; P691-A752 VanDerWaalsContact CB-O 3.31Å; P691-A752 WeakPolarHBondContact CB-O 3.4Å; P691-F754 HydrophobicContact CB-CB 3.82Å; P691-F754 HydrophobicContact CB-CD2 4.03Å; P691-F754 HydrophobicContact CB-CG 4.46Å; P691-F754 HydrophobicContact CG-CB 4.22Å; P691-F754 HydrophobicContact CG-CD2 3.71Å; P691-F754 HydrophobicContact CG-CG 4.46Å; P691-A864 VanDerWaalsContact CD-O 3.28Å; P691-A864 WeakPolarHBondContact CD-O 3.28Å; P691-A864 WeakPolarHBondContact CG-O 3.21Å; P691-E865 HydrophobicContact CG-CG 4.47Å; P691-E865 CarbonylContact O-C 3.55Å; P691-E865 WeakPolarHBondContact O-CA 3.39Å; P691-E865 WeakPolarHBondContact O-CB 3.32Å; P691-S866 PolarHBondContact O-N 3.41Å; P691-S866 PolarHBondContact O-OG 3.22Å | ||
| 692 | D | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -148 | 107.4 | 176.9 | -172.4 | -7.3 | 0 | 0 | 0 | 108.3 | M747 N748 M749 G750 S866 N870 | D692-M747 VanDerWaalsContact O-O 3.14Å; D692-N748 PolarHBondContact N-OD1 2.93Å; D692-N748 VanDerWaalsContact N-OD1 3.13Å; D692-N748 CarbonylContact O-C 3.31Å; D692-N748 WeakPolarHBondContact O-CA 3.46Å; D692-M749 HydrophobicContact CB-CB 4.44Å; D692-M749 PolarHBondContact O-N 3.08Å; D692-G750 VanDerWaalsContact CB-CA 3.5Å; D692-S866 WeakPolarHBondContact CB-OG 3.48Å; D692-N870 PolarHBondContact OD1-ND2 3.46Å; D692-N870 PolarHBondContact OD1-OD1 2.8Å | ||
| 693 | L | 94.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 121.5 | -173 | -57.5 | 176.5 | 0 | 0 | 0 | 111.6 | I746 M747 N748 F754 F778 I824 V857 E865 N871 | L693-I746 HydrophobicContact CB-CG2 4.04Å; L693-I746 HydrophobicContact CD1-CG2 4.46Å; L693-I746 HydrophobicContact CD2-CG2 4Å; L693-I746 HydrophobicContact CG-CG2 4.4Å; L693-M747 VanDerWaalsContact CA-O 3.29Å; L693-M747 WeakPolarHBondContact CA-O 3.31Å; L693-N748 HydrophobicContact CD2-CB 4.24Å; L693-F754 HydrophobicContact CD1-CD1 4.16Å; L693-F754 HydrophobicContact CD1-CD2 3.58Å; L693-F754 HydrophobicContact CD1-CE1 3.97Å; L693-F754 HydrophobicContact CD1-CE2 3.39Å; L693-F754 HydrophobicContact CD1-CG 3.97Å; L693-F754 HydrophobicContact CD1-CZ 3.59Å; L693-F754 HydrophobicContact CD2-CB 4Å; L693-F754 HydrophobicContact CD2-CD1 4.42Å; L693-F754 HydrophobicContact CD2-CD2 4.04Å; L693-F754 HydrophobicContact CD2-CG 3.9Å; L693-F754 HydrophobicContact CG-CD2 3.91Å; L693-F754 HydrophobicContact CG-CE2 4.18Å; L693-F754 HydrophobicContact CG-CG 4.26Å; L693-F778 HydrophobicContact CD1-CE2 3.63Å; L693-F778 HydrophobicContact CD1-CZ 3.42Å; L693-F778 VanDerWaalsContact CD1-CZ 3.42Å; L693-I824 HydrophobicContact CD2-CD1 4.29Å; L693-V857 HydrophobicContact CB-CG1 3.98Å; L693-V857 HydrophobicContact CB-CG2 4.43Å; L693-V857 HydrophobicContact CD1-CG2 4.01Å; L693-E865 WeakPolarHBondContact CA-OE2 3.29Å; L693-E865 WeakPolarHBondContact CB-OE2 3.45Å; L693-E865 VanDerWaalsContact CG-OE2 3.24Å; L693-E865 WeakPolarHBondContact CG-OE2 3.47Å; L693-E865 PolarHBondContact N-OE2 2.02Å; L693-N871 PolarHBondContact O-OD1 3.3Å |
| 694 | V | 95.2 | Very high | 94.3 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.018 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 136.2 | 178.1 | -168.7 | 0 | 0 | 0 | 0 | 110.8 | T526 M747 M749 N870 | T526-V694 HydrophobicContact CG2-CB 4.27Å; T526-V694 HydrophobicContact CG2-CG1 3.89Å; T526-V694 HydrophobicContact CG2-CG2 4.33Å; V694-M747 HydrophobicContact CB-CE 4.1Å; V694-M747 HydrophobicContact CG1-CE 4.14Å; V694-M747 PolarHBondContact N-O 3.27Å; V694-M747 WeakPolarHBondContact O-CB 3.37Å; V694-M747 PolarHBondContact O-N 2.84Å; V694-M749 HydrophobicContact CG2-CG 4.29Å; V694-N870 HydrophobicContact CG2-CB 4.37Å; V694-N870 VanDerWaalsContact CG2-ND2 3.28Å; V694-N870 WeakPolarHBondContact CG2-ND2 3.38Å |
| 695 | V | 94.9 | Very high | 94.3 | Very high | 6 Ų | 6 | 37.6 Ų | 37.6 | 4% | 0.036 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 132.1 | 175.7 | -177.7 | 0 | 0 | 0 | 0 | 110.1 | A697 V700 R745 V855 V857 M873 | V695-A697 PolarHBondContact O-N 2.94Å; V695-V700 HydrophobicContact CG1-CG2 4.22Å; V695-R745 WeakPolarHBondContact CA-O 3.47Å; V695-V855 HydrophobicContact CG1-CG1 4.26Å; V695-V855 HydrophobicContact CG2-CG1 4.23Å; V695-V857 HydrophobicContact CG2-CB 4.22Å; V695-V857 HydrophobicContact CG2-CG1 4.12Å; V695-M873 HydrophobicContact CB-CB 4.1Å; V695-M873 HydrophobicContact CG1-CB 4.25Å; V695-M873 HydrophobicContact CG1-CE 4.48Å |
| 696 | D | 93.7 | Very high | 94.4 | Very high | 28 Ų | 28 | 38.7 Ų | 38.7 | 15% | 0.15 | 20% | 0.204 | C | C | . | . | trans | -70.7 | 92.6 | 173.4 | -171.3 | -21.6 | 0 | 0 | 0 | 110.7 | Q698 L699 V700 R745 M747 | D696-Q698 VanDerWaalsContact C-N 3.27Å; D696-Q698 PolarHBondContact O-N 3.39Å; D696-Q698 PolarHBondContact OD1-N 2.78Å; D696-L699 HydrophobicContact CB-CB 4.07Å; D696-L699 PolarHBondContact O-N 3.36Å; D696-L699 PolarHBondContact OD1-N 2.94Å; D696-L699 VanDerWaalsContact OD1-N 3.08Å; D696-V700 WeakPolarHBondContact O-CG2 3.25Å; D696-V700 PolarHBondContact O-N 2.82Å; D696-R745 HydrophobicContact CB-CB 3.88Å; D696-R745 HydrophobicContact CB-CG 4.29Å; D696-R745 PolarHBondContact N-O 2.85Å; D696-R745 IonicContact OD2-CZ 2.96Å; D696-R745 IonicContact OD2-NH1 3.99Å; D696-R745 PolarHBondContact OD2-NH1 3.38Å; D696-M747 HydrophobicContact CB-CE 4.26Å; D696-M747 HydrophobicContact CB-SD 4.39Å | ||
| 697 | A | 92.2 | Very high | 94.5 | Very high | 16 Ų | 16 | 40.3 Ų | 40.3 | 13% | 0.132 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.8 | -32.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V695 Q701 M873 C889 | V695-A697 PolarHBondContact O-N 2.94Å; A697-Q701 PolarHBondContact O-N 3.29Å; A697-M873 HydrophobicContact CB-CG 3.51Å; A697-M873 HydrophobicContact CB-SD 4.29Å; A697-C889 HydrophobicContact CB-CB 4.18Å; A697-C889 WeakPolarHBondContact O-CB 3.35Å |
| 698 | Q | 89.4 | Confident | 94.5 | Very high | 121 Ų | 121 | 42.9 Ų | 42.9 | 57% | 0.565 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -69.4 | -47.4 | -179.7 | -179.4 | 174.8 | -2.4 | 0 | 0 | 110.4 | D696 V700 Q701 E702 | D696-Q698 VanDerWaalsContact C-N 3.27Å; D696-Q698 PolarHBondContact O-N 3.39Å; D696-Q698 PolarHBondContact OD1-N 2.78Å; Q698-V700 VanDerWaalsContact C-N 3.27Å; Q698-V700 PolarHBondContact O-N 3.07Å; Q698-Q701 WeakPolarHBondContact O-CB 3.26Å; Q698-Q701 PolarHBondContact O-N 3.16Å; Q698-Q701 VanDerWaalsContact O-N 3.11Å; Q698-E702 HydrophobicContact CG-CG 4.34Å; Q698-E702 VanDerWaalsContact CG-OE1 3.23Å; Q698-E702 WeakPolarHBondContact CG-OE1 3.4Å; Q698-E702 PolarHBondContact NE2-OE1 3.05Å; Q698-E702 WeakPolarHBondContact O-CG 3.28Å; Q698-E702 PolarHBondContact O-N 3.2Å |
| 699 | L | 93.6 | Very high | 94.7 | Very high | 32 Ų | 32 | 40.6 Ų | 40.6 | 17% | 0.168 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.5 | -40.9 | 177.8 | 179.2 | 64.4 | 0 | 0 | 0 | 111.9 | D696 Q701 E702 S703 R745 T831 | D696-L699 HydrophobicContact CB-CB 4.07Å; D696-L699 PolarHBondContact O-N 3.36Å; D696-L699 PolarHBondContact OD1-N 2.94Å; D696-L699 VanDerWaalsContact OD1-N 3.08Å; L699-Q701 VanDerWaalsContact C-N 3.33Å; L699-Q701 PolarHBondContact O-N 2.96Å; L699-E702 PolarHBondContact O-N 3.47Å; L699-S703 VanDerWaalsContact O-CB 3.3Å; L699-S703 WeakPolarHBondContact O-CB 3.33Å; L699-S703 PolarHBondContact O-N 2.76Å; L699-S703 PolarHBondContact O-OG 2.84Å; L699-R745 HydrophobicContact CD2-CB 3.53Å; L699-T831 HydrophobicContact CD2-CG2 4.41Å |
| 700 | V | 95 | Very high | 94.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.1 | -41.9 | 177.9 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | V695 D696 Q698 A704 F742 S743 F853 M873 L886 | V695-V700 HydrophobicContact CG1-CG2 4.22Å; D696-V700 WeakPolarHBondContact O-CG2 3.25Å; D696-V700 PolarHBondContact O-N 2.82Å; Q698-V700 VanDerWaalsContact C-N 3.27Å; Q698-V700 PolarHBondContact O-N 3.07Å; V700-A704 WeakPolarHBondContact O-CB 3.45Å; V700-A704 PolarHBondContact O-N 3.14Å; V700-F742 HydrophobicContact CG1-CB 4.22Å; V700-F742 HydrophobicContact CG1-CD2 3.96Å; V700-F742 HydrophobicContact CG1-CG 4.28Å; V700-F742 HydrophobicContact CG2-CD2 4.31Å; V700-S743 WeakPolarHBondContact CG2-O 3.44Å; V700-F853 HydrophobicContact CG1-CD1 4.39Å; V700-F853 HydrophobicContact CG1-CE1 3.7Å; V700-M873 HydrophobicContact CB-CE 3.69Å; V700-M873 HydrophobicContact CG1-CE 3.43Å; V700-M873 VanDerWaalsContact CG1-CE 3.43Å; V700-M873 HydrophobicContact CG2-CE 3.74Å; V700-L886 HydrophobicContact CG1-CD1 4.45Å |
| 701 | Q | 93.5 | Very high | 94.7 | Very high | 71 Ų | 71 | 38.5 Ų | 38.5 | 33% | 0.332 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.7 | -45 | 177.4 | -163.3 | 176 | -91.4 | 0 | 0 | 112.3 | A697 Q698 L699 L886 H888 C889 | A697-Q701 PolarHBondContact O-N 3.29Å; Q698-Q701 WeakPolarHBondContact O-CB 3.26Å; Q698-Q701 PolarHBondContact O-N 3.16Å; Q698-Q701 VanDerWaalsContact O-N 3.11Å; L699-Q701 VanDerWaalsContact C-N 3.33Å; L699-Q701 PolarHBondContact O-N 2.96Å; Q701-L886 HydrophobicContact CG-CB 4.49Å; Q701-L886 WeakPolarHBondContact CG-O 3.38Å; Q701-H888 VanDerWaalsContact OE1-N 3.09Å; Q701-C889 HydrophobicContact CB-CB 3.97Å; Q701-C889 VanDerWaalsContact CB-SG 3.52Å; Q701-C889 HydrophobicContact CG-CB 4.36Å |
| 702 | E | 93.1 | Very high | 94.5 | Very high | 130 Ų | 130 | 43 Ų | 43 | 61% | 0.607 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -77.1 | -27.3 | -172.8 | -70 | 174.2 | 177.7 | 0 | 0 | 113.2 | Q698 L699 | Q698-E702 HydrophobicContact CG-CG 4.34Å; Q698-E702 VanDerWaalsContact CG-OE1 3.23Å; Q698-E702 WeakPolarHBondContact CG-OE1 3.4Å; Q698-E702 PolarHBondContact NE2-OE1 3.05Å; Q698-E702 WeakPolarHBondContact O-CG 3.28Å; Q698-E702 PolarHBondContact O-N 3.2Å; L699-E702 PolarHBondContact O-N 3.47Å |
| 703 | S | 95.6 | Very high | 94.4 | Very high | 18 Ų | 18 | 47.2 Ų | 47.2 | 13% | 0.126 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 5.9 | -175.9 | 65.2 | 0 | 0 | 0 | 0 | 114.6 | L699 Y705 S743 | L699-S703 VanDerWaalsContact O-CB 3.3Å; L699-S703 WeakPolarHBondContact O-CB 3.33Å; L699-S703 PolarHBondContact O-N 2.76Å; L699-S703 PolarHBondContact O-OG 2.84Å; S703-Y705 WeakPolarHBondContact O-CD1 3.3Å; S703-S743 WeakPolarHBondContact OG-CB 3.42Å; S703-S743 PolarHBondContact OG-N 3.34Å; S703-S743 PolarHBondContact OG-OG 3.06Å |
| 704 | A | 95.9 | Very high | 94.3 | Very high | 26 Ų | 26 | 47.2 Ų | 47.2 | 22% | 0.215 | 24% | 0.235 | C | C | . | . | trans | -80.9 | 130.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | V700 R741 F742 L886 | V700-A704 WeakPolarHBondContact O-CB 3.45Å; V700-A704 PolarHBondContact O-N 3.14Å; A704-R741 CarbonylContact C-O 3.59Å; A704-R741 WeakPolarHBondContact CA-O 3.31Å; A704-F742 HydrophobicContact CB-CB 4.2Å; A704-L886 HydrophobicContact CB-CB 4.49Å; A704-L886 HydrophobicContact CB-CD1 3.45Å; A704-L886 VanDerWaalsContact CB-CD1 3.45Å; A704-L886 HydrophobicContact CB-CG 3.95Å | ||
| 705 | Y | 95.6 | Very high | 94 | Very high | 89 Ų | 89 | 50.4 Ų | 50.4 | 35% | 0.349 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 167.9 | 175.6 | 65.6 | -83.6 | 0 | 0 | 0 | 112.8 | S703 E707 R741 H834 | S703-Y705 WeakPolarHBondContact O-CD1 3.3Å; Y705-E707 HydrophobicContact CE2-CB 4.28Å; Y705-R741 HydrophobicContact CD1-CB 4.27Å; Y705-R741 HydrophobicContact CE1-CB 3.88Å; Y705-R741 HydrophobicContact CE2-CB 4.17Å; Y705-R741 HydrophobicContact CE2-CG 4.49Å; Y705-R741 PolarHBondContact N-O 3.36Å; Y705-R741 PolarHBondContact O-N 2.91Å; Y705-R741 VanDerWaalsContact OH-CD 3.25Å; Y705-R741 WeakPolarHBondContact OH-CD 3.35Å; Y705-H834 HydrophobicContact CE1-CB 3.86Å; Y705-H834 AromaticContact CE1-CG 3.66Å; Y705-H834 AromaticContact CE1-ND1 3.36Å; Y705-H834 WeakPolarHBondContact CE1-ND1 3.49Å; Y705-H834 AromaticContact CZ-ND1 3.71Å; Y705-H834 PolarHBondContact OH-ND1 3.1Å; Y705-H834 VanDerWaalsContact OH-ND1 3.16Å |
| 706 | L | 97.1 | Very high | 93.6 | Very high | 42 Ų | 42 | 52 Ų | 52 | 22% | 0.22 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 136.6 | 174.5 | -65 | -175.9 | 0 | 0 | 0 | 111.6 | L739 L740 I843 Y879 I884 | L706-L739 WeakPolarHBondContact CA-O 3.46Å; L706-L740 HydrophobicContact CD2-CB 4.26Å; L706-L740 HydrophobicContact CD2-CD1 4.32Å; L706-I843 HydrophobicContact CD2-CD1 3.47Å; L706-I843 VanDerWaalsContact CD2-CD1 3.47Å; L706-I843 HydrophobicContact CD2-CG1 4.46Å; L706-Y879 HydrophobicContact CD1-CD2 4.19Å; L706-Y879 HydrophobicContact CD1-CE2 3.8Å; L706-I884 HydrophobicContact CD1-CB 4.09Å; L706-I884 HydrophobicContact CD1-CG2 4.34Å; L706-I884 HydrophobicContact CD2-CB 3.98Å; L706-I884 HydrophobicContact CD2-CD1 4.27Å; L706-I884 HydrophobicContact CD2-CG2 3.74Å; L706-I884 HydrophobicContact CG-CB 3.94Å; L706-I884 HydrophobicContact CG-CG2 3.66Å |
| 707 | E | 96.2 | Very high | 93.4 | Very high | 50 Ų | 50 | 50.7 Ų | 50.7 | 23% | 0.234 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 127.7 | 169.8 | -171.4 | -166.1 | -163.5 | 0 | 0 | 109.9 | Y705 R709 L739 R741 | Y705-E707 HydrophobicContact CE2-CB 4.28Å; E707-R709 HydrophobicContact CG-CB 4.29Å; E707-R709 IonicContact OE1-CZ 3.39Å; E707-R709 IonicContact OE1-NH1 2.69Å; E707-R709 PolarHBondContact OE1-NH1 2.99Å; E707-R709 WeakPolarHBondContact OE2-CD 3.47Å; E707-R709 IonicContact OE2-NH1 3.78Å; E707-R709 PolarHBondContact OE2-NH1 3.32Å; E707-L739 PolarHBondContact N-O 2.96Å; E707-L739 PolarHBondContact O-N 2.92Å; E707-R741 IonicContact OE2-CZ 3.23Å; E707-R741 IonicContact OE2-NE 2.7Å; E707-R741 PolarHBondContact OE2-NE 2.61Å; E707-R741 IonicContact OE2-NH2 3.63Å; E707-R741 PolarHBondContact OE2-NH2 3.03Å |
| 708 | D | 96.1 | Very high | 93.3 | Very high | 87 Ų | 87 | 52.4 Ų | 52.4 | 47% | 0.465 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 101 | 165.8 | -73.9 | -40.2 | 0 | 0 | 0 | 108.4 | R737 R738 | D708-R737 CarbonylContact C-O 3.53Å; D708-R737 WeakPolarHBondContact CA-O 3.28Å; D708-R738 VanDerWaalsContact OD1-CB 3.28Å; D708-R738 WeakPolarHBondContact OD1-CB 3.42Å; D708-R738 WeakPolarHBondContact OD1-CG 3.25Å; D708-R738 IonicContact OD1-CZ 3.63Å; D708-R738 IonicContact OD1-NE 3.46Å; D708-R738 PolarHBondContact OD1-NE 2.69Å; D708-R738 IonicContact OD1-NH2 3.87Å; D708-R738 PolarHBondContact OD1-NH2 3Å; D708-R738 IonicContact OD2-CZ 2.8Å; D708-R738 IonicContact OD2-NE 3.08Å; D708-R738 IonicContact OD2-NH2 3.73Å; D708-R738 PolarHBondContact OD2-NH2 2.82Å |
| 709 | R | 95.4 | Very high | 93.1 | Very high | 50 Ų | 50 | 52.8 Ų | 52.8 | 19% | 0.189 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 131.6 | -172.1 | -163.6 | 169.6 | -178.5 | 115.7 | -15.7 | 111.6 | E707 L713 L714 H736 R737 L739 D837 | E707-R709 HydrophobicContact CG-CB 4.29Å; E707-R709 IonicContact OE1-CZ 3.39Å; E707-R709 IonicContact OE1-NH1 2.69Å; E707-R709 PolarHBondContact OE1-NH1 2.99Å; E707-R709 WeakPolarHBondContact OE2-CD 3.47Å; E707-R709 IonicContact OE2-NH1 3.78Å; E707-R709 PolarHBondContact OE2-NH1 3.32Å; R709-L713 HydrophobicContact CG-CB 4.38Å; R709-L714 HydrophobicContact CB-CD1 4.29Å; R709-L714 HydrophobicContact CG-CD1 4.5Å; R709-L714 HydrophobicContact CG-CD2 4.27Å; R709-L714 HydrophobicContact CG-CG 4.23Å; R709-H736 CarbonylContact O-C 3.54Å; R709-H736 VanDerWaalsContact O-CA 3.26Å; R709-H736 WeakPolarHBondContact O-CA 3.5Å; R709-R737 PolarHBondContact N-O 3.04Å; R709-R737 PolarHBondContact O-N 2.84Å; R709-L739 HydrophobicContact CB-CD1 3.91Å; R709-D837 IonicContact NH2-OD1 3.39Å |
| 710 | P | 95.9 | Very high | 92.6 | Very high | 28 Ų | 28 | 51.9 Ų | 51.9 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 146.4 | -178 | 30.3 | -36.5 | 0 | 0 | 0 | 112.2 | H712 L713 G735 | P710-H712 VanDerWaalsContact C-N 3.32Å; P710-H712 VanDerWaalsContact CB-CE1 3.49Å; P710-H712 WeakPolarHBondContact CB-CE1 3.45Å; P710-H712 WeakPolarHBondContact CG-CE1 3.3Å; P710-H712 PolarHBondContact O-N 3.06Å; P710-L713 HydrophobicContact CG-CD1 3.74Å; P710-L713 HydrophobicContact CG-CG 4.03Å; P710-L713 PolarHBondContact O-N 2.85Å; P710-L713 VanDerWaalsContact O-N 3.09Å; P710-G735 VanDerWaalsContact CA-O 3.29Å; P710-G735 WeakPolarHBondContact CA-O 3.38Å |
| 711 | L | 94 | Very high | 92.2 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -59 | -37.3 | -173.5 | -70.4 | -177.7 | 0 | 0 | 0 | 113.8 | L713 L714 M730 W732 Y734 G735 R737 | L711-L713 PolarHBondContact O-N 2.84Å; L711-L714 HydrophobicContact CD2-CD1 4.45Å; L711-L714 PolarHBondContact O-N 3.38Å; L711-M730 HydrophobicContact CD1-CB 3.75Å; L711-M730 HydrophobicContact CD1-CE 3.99Å; L711-M730 HydrophobicContact CD1-SD 4.12Å; L711-M730 HydrophobicContact CD2-SD 4.12Å; L711-M730 HydrophobicContact CG-CE 4.49Å; L711-W732 HydrophobicContact CB-CD2 4.19Å; L711-W732 HydrophobicContact CB-CE3 3.84Å; L711-W732 HydrophobicContact CB-CH2 4.34Å; L711-W732 HydrophobicContact CB-CZ3 3.94Å; L711-W732 HydrophobicContact CD1-CD2 4.14Å; L711-W732 HydrophobicContact CD1-CG 4.31Å; L711-W732 HydrophobicContact CD2-CH2 3.91Å; L711-W732 HydrophobicContact CD2-CZ2 3.78Å; L711-W732 HydrophobicContact CD2-CZ3 4.37Å; L711-W732 WeakPolarHBondContact O-CZ3 3.39Å; L711-Y734 VanDerWaalsContact CD1-O 3.3Å; L711-Y734 WeakPolarHBondContact CD1-O 3.48Å; L711-G735 PolarHBondContact N-O 2.86Å; L711-R737 HydrophobicContact CD2-CG 3.61Å |
| 712 | H | 92 | Very high | 92.1 | Very high | 107 Ų | 107 | 54.5 Ų | 54.5 | 50% | 0.495 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -57.9 | -19.9 | 178.6 | 69 | -87.4 | 0 | 0 | 0 | 114.6 | P710 P733 | P710-H712 VanDerWaalsContact C-N 3.32Å; P710-H712 VanDerWaalsContact CB-CE1 3.49Å; P710-H712 WeakPolarHBondContact CB-CE1 3.45Å; P710-H712 WeakPolarHBondContact CG-CE1 3.3Å; P710-H712 PolarHBondContact O-N 3.06Å; H712-P733 HydrophobicContact CB-CB 3.88Å; H712-P733 PolarHBondContact N-O 2.9Å |
| 713 | L | 92.6 | Very high | 92 | Very high | 87 Ų | 87 | 49.2 Ų | 49.2 | 46% | 0.455 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -93.4 | -2 | 175.6 | -61 | 179.9 | 0 | 0 | 0 | 113.4 | R709 P710 L711 | R709-L713 HydrophobicContact CG-CB 4.38Å; P710-L713 HydrophobicContact CG-CD1 3.74Å; P710-L713 HydrophobicContact CG-CG 4.03Å; P710-L713 PolarHBondContact O-N 2.85Å; P710-L713 VanDerWaalsContact O-N 3.09Å; L711-L713 PolarHBondContact O-N 2.84Å |
| 714 | L | 92.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -113 | 10.8 | -172.4 | -70.1 | 175.7 | 0 | 0 | 0 | 113.4 | R709 L711 C716 A717 N718 L723 W732 R737 L739 W840 | R709-L714 HydrophobicContact CB-CD1 4.29Å; R709-L714 HydrophobicContact CG-CD1 4.5Å; R709-L714 HydrophobicContact CG-CD2 4.27Å; R709-L714 HydrophobicContact CG-CG 4.23Å; L711-L714 HydrophobicContact CD2-CD1 4.45Å; L711-L714 PolarHBondContact O-N 3.38Å; L714-C716 VanDerWaalsContact C-N 3.34Å; L714-C716 PolarHBondContact O-N 3Å; L714-A717 HydrophobicContact CD2-CB 4.22Å; L714-A717 PolarHBondContact O-N 3.18Å; L714-N718 WeakPolarHBondContact O-CB 3.35Å; L714-N718 PolarHBondContact O-N 3.4Å; L714-L723 HydrophobicContact CB-CD1 4.2Å; L714-L723 HydrophobicContact CD1-CD1 4.4Å; L714-L723 HydrophobicContact CD1-CD2 4.2Å; L714-L723 HydrophobicContact CD2-CD2 4.45Å; L714-W732 HydrophobicContact CB-CH2 3.98Å; L714-W732 HydrophobicContact CB-CZ3 4.32Å; L714-R737 HydrophobicContact CD1-CB 3.81Å; L714-R737 HydrophobicContact CD1-CG 3.61Å; L714-L739 HydrophobicContact CD2-CD1 4.19Å; L714-W840 HydrophobicContact CD2-CH2 3.72Å; L714-W840 HydrophobicContact CD2-CZ2 3.91Å | ||
| 715 | T | 88.8 | Confident | 91.7 | Very high | 70 Ų | 70 | 53 Ų | 53 | 43% | 0.429 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -56.3 | -47.6 | -178.2 | -49.6 | 0 | 0 | 0 | 0 | 111.8 | N718 E719 | T715-N718 PolarHBondContact O-N 2.66Å; T715-E719 WeakPolarHBondContact O-CG 3.41Å; T715-E719 PolarHBondContact O-N 3.1Å |
| 716 | C | 87 | Confident | 91.6 | Very high | 40 Ų | 40 | 49.6 Ų | 49.6 | 27% | 0.27 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.7 | -50.6 | 176.6 | -89.3 | 0 | 0 | 0 | 0 | 112.4 | L714 N718 E719 E720 C768 | L714-C716 VanDerWaalsContact C-N 3.34Å; L714-C716 PolarHBondContact O-N 3Å; C716-N718 PolarHBondContact O-N 3.21Å; C716-E719 WeakPolarHBondContact O-CB 3.01Å; C716-E719 PolarHBondContact O-N 2.76Å; C716-E719 VanDerWaalsContact O-N 3.09Å; C716-E720 PolarHBondContact O-N 2.82Å; C716-C768 WeakPolarHBondContact CA-SG 3.26Å; C716-C768 HydrophobicContact CB-CB 3.55Å; C716-C768 WeakPolarHBondContact CB-SG 3.48Å; C716-C768 WeakPolarHBondContact SG-CB 2.88Å; C716-C768 CovalentContact SG-SG 2.04Å; C716-C768 PolarHBondContact SG-SG 2.87Å |
| 717 | A | 89.5 | Confident | 91.3 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.7 | -28.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L714 N721 C722 W840 | L714-A717 HydrophobicContact CD2-CB 4.22Å; L714-A717 PolarHBondContact O-N 3.18Å; A717-N721 PolarHBondContact O-N 2.98Å; A717-C722 HydrophobicContact CB-CB 4.16Å; A717-C722 WeakPolarHBondContact O-CB 3.37Å; A717-C722 PolarHBondContact O-N 3.41Å; A717-W840 HydrophobicContact CB-CH2 3.73Å; A717-W840 HydrophobicContact CB-CZ2 3.53Å |
| 718 | N | 89.5 | Confident | 91 | Very high | 53 Ų | 53 | 49 Ų | 49 | 28% | 0.283 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -74.8 | -39 | 174.2 | -174.9 | 75.9 | 0 | 0 | 0 | 112.4 | L714 T715 C716 E720 N721 L723 W732 | L714-N718 WeakPolarHBondContact O-CB 3.35Å; L714-N718 PolarHBondContact O-N 3.4Å; T715-N718 PolarHBondContact O-N 2.66Å; C716-N718 PolarHBondContact O-N 3.21Å; N718-E720 PolarHBondContact O-N 3.19Å; N718-N721 PolarHBondContact O-N 3.24Å; N718-L723 HydrophobicContact CB-CD1 3.87Å; N718-W732 HydrophobicContact CB-CH2 3.57Å; N718-W732 HydrophobicContact CB-CZ2 3.78Å; N718-W732 HydrophobicContact CB-CZ3 4.46Å |
| 719 | E | 85.5 | Confident | 90.8 | Very high | 128 Ų | 128 | 54.6 Ų | 54.6 | 60% | 0.598 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.7 | -34 | 172.9 | -72.1 | 174.5 | -176.6 | 0 | 0 | 111.7 | T715 C716 N721 | T715-E719 WeakPolarHBondContact O-CG 3.41Å; T715-E719 PolarHBondContact O-N 3.1Å; C716-E719 WeakPolarHBondContact O-CB 3.01Å; C716-E719 PolarHBondContact O-N 2.76Å; C716-E719 VanDerWaalsContact O-N 3.09Å; E719-N721 VanDerWaalsContact C-N 3.3Å; E719-N721 PolarHBondContact O-N 3.48Å |
| 720 | E | 83.3 | Confident | 90.6 | Very high | 13 Ų | 13 | 54.9 Ų | 54.9 | 6% | 0.061 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 2.7 | 176.7 | -74.7 | -177.6 | 135.7 | 0 | 0 | 114.6 | C716 N718 C722 H766 H769 A797 C838 | C716-E720 PolarHBondContact O-N 2.82Å; N718-E720 PolarHBondContact O-N 3.19Å; E720-C722 VanDerWaalsContact C-N 3.27Å; E720-C722 VanDerWaalsContact CB-SG 3.53Å; E720-C722 PolarHBondContact O-N 3.44Å; E720-H766 WeakPolarHBondContact CG-CE1 3.3Å; E720-H766 WeakPolarHBondContact CG-NE2 3.49Å; E720-H766 IonicContact OE1-CD2 2.9Å; E720-H766 IonicContact OE1-CE1 2.83Å; E720-H766 PolarHBondContact OE1-CE1 2.84Å; E720-H766 IonicContact OE1-CG 3.46Å; E720-H766 VanDerWaalsContact OE1-CG 3.23Å; E720-H766 IonicContact OE1-ND1 3.69Å; E720-H766 PolarHBondContact OE1-ND1 2.7Å; E720-H766 IonicContact OE1-NE2 3.58Å; E720-H766 PolarHBondContact OE1-NE2 3.25Å; E720-H766 IonicContact OE2-CE1 3.71Å; E720-H769 VanDerWaalsContact CD-CE1 3.41Å; E720-H769 IonicContact OE1-CE1 3.82Å; E720-H769 PolarHBondContact OE1-CE1 3.45Å; E720-H769 IonicContact OE1-CG 3.71Å; E720-H769 IonicContact OE1-ND1 3.89Å; E720-H769 PolarHBondContact OE1-ND1 2.91Å; E720-H769 VanDerWaalsContact OE1-ND1 3.15Å; E720-H769 IonicContact OE1-NE2 3.54Å; E720-H769 IonicContact OE2-CE1 3.65Å; E720-H769 PolarHBondContact OE2-CE1 2.99Å; E720-H769 IonicContact OE2-NE2 2.9Å; E720-H769 PolarHBondContact OE2-NE2 2.86Å; E720-A797 HydrophobicContact CB-CB 3.67Å; E720-A797 HydrophobicContact CG-CB 4.31Å; E720-A797 WeakPolarHBondContact O-CB 3.34Å; E720-C838 PolarHBondContact OE2-SG 3.38Å; E720-C838 VanDerWaalsContact OE2-SG 3.33Å |
| 721 | N | 88 | Confident | 90.3 | Very high | 123 Ų | 123 | 59.4 Ų | 59.4 | 66% | 0.658 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 27.3 | -176.9 | -53.1 | -66.4 | 0 | 0 | 0 | 115.2 | A717 N718 E719 L723 H795 | A717-N721 PolarHBondContact O-N 2.98Å; N718-N721 PolarHBondContact O-N 3.24Å; E719-N721 VanDerWaalsContact C-N 3.3Å; E719-N721 PolarHBondContact O-N 3.48Å; N721-L723 VanDerWaalsContact C-N 3.27Å; N721-L723 PolarHBondContact O-N 2.79Å; N721-H795 PolarHBondContact O-CE1 2.94Å |
| 722 | C | 89.4 | Confident | 90.3 | Very high | 4 Ų | 4 | 62.8 Ų | 62.8 | 3% | 0.027 | 33% | 0.333 | C | S | . | . | trans | -82.1 | 2.4 | 179.6 | -51.3 | 0 | 0 | 0 | 0 | 114.7 | A717 E720 A797 C838 W840 | A717-C722 HydrophobicContact CB-CB 4.16Å; A717-C722 WeakPolarHBondContact O-CB 3.37Å; A717-C722 PolarHBondContact O-N 3.41Å; E720-C722 VanDerWaalsContact C-N 3.27Å; E720-C722 VanDerWaalsContact CB-SG 3.53Å; E720-C722 PolarHBondContact O-N 3.44Å; C722-A797 WeakPolarHBondContact SG-CB 3.36Å; C722-C838 HydrophobicContact CB-CB 3.6Å; C722-C838 WeakPolarHBondContact CB-SG 3.26Å; C722-C838 WeakPolarHBondContact SG-CB 3.15Å; C722-C838 CovalentContact SG-SG 2.01Å; C722-C838 PolarHBondContact SG-SG 3.43Å; C722-W840 HydrophobicContact CB-CZ2 4.35Å; C722-W840 PolarHBondContact O-NE1 2.83Å | ||
| 723 | L | 92.8 | Very high | 90.2 | Very high | 18 Ų | 18 | 60.7 Ų | 60.7 | 9% | 0.094 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -109.6 | 156.7 | 179.3 | -58.6 | -179.7 | 0 | 0 | 0 | 110.3 | L714 N718 N721 A727 W732 R737 L739 W840 | L714-L723 HydrophobicContact CB-CD1 4.2Å; L714-L723 HydrophobicContact CD1-CD1 4.4Å; L714-L723 HydrophobicContact CD1-CD2 4.2Å; L714-L723 HydrophobicContact CD2-CD2 4.45Å; N718-L723 HydrophobicContact CB-CD1 3.87Å; N721-L723 VanDerWaalsContact C-N 3.27Å; N721-L723 PolarHBondContact O-N 2.79Å; L723-A727 HydrophobicContact CB-CB 3.63Å; L723-A727 HydrophobicContact CD1-CB 3.84Å; L723-A727 HydrophobicContact CG-CB 4.4Å; L723-W732 HydrophobicContact CD1-CH2 3.94Å; L723-W732 HydrophobicContact CD1-CZ2 3.98Å; L723-R737 HydrophobicContact CD1-CG 4.46Å; L723-R737 HydrophobicContact CD2-CG 4.41Å; L723-L739 HydrophobicContact CD2-CD2 4.25Å; L723-W840 HydrophobicContact CD2-CZ2 4.01Å |
| 724 | S | 93 | Very high | 90.3 | Very high | 24 Ų | 24 | 64.7 Ų | 64.7 | 17% | 0.168 | 34% | 0.339 | C | S | . | . | trans | -62.4 | 156.1 | 175.5 | 101.7 | 0 | 0 | 0 | 0 | 110.7 | S726 A727 R737 D842 D845 | S724-S726 PolarHBondContact O-N 3.23Å; S724-S726 PolarHBondContact OG-N 3.04Å; S724-S726 PolarHBondContact OG-OG 3.39Å; S724-A727 VanDerWaalsContact O-CB 3.25Å; S724-A727 WeakPolarHBondContact O-CB 3.36Å; S724-A727 PolarHBondContact O-N 3.12Å; S724-R737 PolarHBondContact OG-NH2 3.34Å; S724-D842 PolarHBondContact N-OD2 3.18Å; S724-D845 PolarHBondContact OG-OD2 3.5Å | ||
| 725 | S | 91.4 | Very high | 90.3 | Very high | 99 Ų | 99 | 66.2 Ų | 66.2 | 69% | 0.692 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -17.1 | -179.8 | 63.7 | 0 | 0 | 0 | 0 | 114.5 | A727 | S725-A727 VanDerWaalsContact C-N 3.31Š|
| 726 | S | 92.6 | Very high | 90.6 | Very high | 18 Ų | 18 | 68.1 Ų | 68.1 | 13% | 0.126 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -24.4 | 173.5 | 71.5 | 0 | 0 | 0 | 0 | 112.9 | S724 A728 R729 R737 D845 | S724-S726 PolarHBondContact O-N 3.23Å; S724-S726 PolarHBondContact OG-N 3.04Å; S724-S726 PolarHBondContact OG-OG 3.39Å; S726-A728 VanDerWaalsContact C-N 3.26Å; S726-A728 PolarHBondContact O-N 3.45Å; S726-R729 PolarHBondContact O-N 3.18Å; S726-R737 PolarHBondContact OG-NH1 3.42Å; S726-R737 PolarHBondContact OG-NH2 2.68Å; S726-D845 VanDerWaalsContact CB-OD2 3.23Å; S726-D845 WeakPolarHBondContact CB-OD2 3.22Å; S726-D845 PolarHBondContact OG-OD1 2.98Å; S726-D845 PolarHBondContact OG-OD2 3.27Å |
| 727 | A | 92.3 | Very high | 91 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -61.4 | -33.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L723 S724 S725 R729 M730 W732 | L723-A727 HydrophobicContact CB-CB 3.63Å; L723-A727 HydrophobicContact CD1-CB 3.84Å; L723-A727 HydrophobicContact CG-CB 4.4Å; S724-A727 VanDerWaalsContact O-CB 3.25Å; S724-A727 WeakPolarHBondContact O-CB 3.36Å; S724-A727 PolarHBondContact O-N 3.12Å; S725-A727 VanDerWaalsContact C-N 3.31Å; A727-R729 PolarHBondContact O-N 1.99Å; A727-M730 WeakPolarHBondContact O-CB 3.14Å; A727-M730 PolarHBondContact O-N 3.16Å; A727-M730 VanDerWaalsContact O-N 3.16Å; A727-W732 PolarHBondContact O-NE1 2.52Å |
| 728 | A | 89.8 | Confident | 91.3 | Very high | 81 Ų | 81 | 69.2 Ų | 69.2 | 67% | 0.669 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -63.5 | -20.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S726 | S726-A728 VanDerWaalsContact C-N 3.26Å; S726-A728 PolarHBondContact O-N 3.45Å |
| 729 | R | 90.8 | Very high | 91.7 | Very high | 204 Ų | 204 | 66.7 Ų | 66.7 | 77% | 0.77 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -101.4 | 1.8 | -179.5 | -66.3 | 179 | -76.6 | 176.5 | -3 | 113.1 | S726 A727 | S726-R729 PolarHBondContact O-N 3.18Å; A727-R729 PolarHBondContact O-N 1.99Å |
| 730 | M | 91.6 | Very high | 92.3 | Very high | 56 Ų | 56 | 60.6 Ų | 60.6 | 28% | 0.276 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -80.5 | 159.6 | 179.1 | -64.7 | -172.6 | 76.3 | 0 | 0 | 112.1 | L711 A727 W732 R737 | L711-M730 HydrophobicContact CD1-CB 3.75Å; L711-M730 HydrophobicContact CD1-CE 3.99Å; L711-M730 HydrophobicContact CD1-SD 4.12Å; L711-M730 HydrophobicContact CD2-SD 4.12Å; L711-M730 HydrophobicContact CG-CE 4.49Å; A727-M730 WeakPolarHBondContact O-CB 3.14Å; A727-M730 PolarHBondContact O-N 3.16Å; A727-M730 VanDerWaalsContact O-N 3.16Å; M730-W732 VanDerWaalsContact O-CD1 3.3Å; M730-W732 PolarHBondContact O-N 3.39Å; M730-W732 VanDerWaalsContact O-N 3.16Å; M730-R737 WeakPolarHBondContact SD-CD 3.48Å; M730-R737 PolarHBondContact SD-NH1 2.88Å |
| 731 | N | 90.1 | Very high | 92.9 | Very high | 123 Ų | 123 | 60 Ų | 60 | 66% | 0.658 | 31% | 0.312 | S | S | * | . | trans | -85.4 | 82 | 179.2 | -173.1 | 21.7 | 0 | 0 | 0 | 111.6 | Y734 | N731-Y734 WeakPolarHBondContact O-CA 3.24Å; N731-Y734 PolarHBondContact O-N 3.23Å | ||
| 732 | W | 92.9 | Very high | 93.3 | Very high | 70 Ų | 70 | 54.1 Ų | 54.1 | 27% | 0.265 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 137.5 | 179.1 | -70.5 | 80.2 | 0 | 0 | 0 | 111.9 | L711 L714 N718 L723 A727 M730 | L711-W732 HydrophobicContact CB-CD2 4.19Å; L711-W732 HydrophobicContact CB-CE3 3.84Å; L711-W732 HydrophobicContact CB-CH2 4.34Å; L711-W732 HydrophobicContact CB-CZ3 3.94Å; L711-W732 HydrophobicContact CD1-CD2 4.14Å; L711-W732 HydrophobicContact CD1-CG 4.31Å; L711-W732 HydrophobicContact CD2-CH2 3.91Å; L711-W732 HydrophobicContact CD2-CZ2 3.78Å; L711-W732 HydrophobicContact CD2-CZ3 4.37Å; L711-W732 WeakPolarHBondContact O-CZ3 3.39Å; L714-W732 HydrophobicContact CB-CH2 3.98Å; L714-W732 HydrophobicContact CB-CZ3 4.32Å; N718-W732 HydrophobicContact CB-CH2 3.57Å; N718-W732 HydrophobicContact CB-CZ2 3.78Å; N718-W732 HydrophobicContact CB-CZ3 4.46Å; L723-W732 HydrophobicContact CD1-CH2 3.94Å; L723-W732 HydrophobicContact CD1-CZ2 3.98Å; A727-W732 PolarHBondContact O-NE1 2.52Å; M730-W732 VanDerWaalsContact O-CD1 3.3Å; M730-W732 PolarHBondContact O-N 3.39Å; M730-W732 VanDerWaalsContact O-N 3.16Å |
| 733 | P | 91.4 | Very high | 93.6 | Very high | 63 Ų | 63 | 54.2 Ų | 54.2 | 41% | 0.409 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -97.4 | 18.3 | 6.7 | 40.4 | -38.6 | 0 | 0 | 0 | 114.4 | H712 | H712-P733 HydrophobicContact CB-CB 3.88Å; H712-P733 PolarHBondContact N-O 2.9Å |
| 734 | Y | 93.3 | Very high | 93.7 | Very high | 172 Ų | 172 | 53.3 Ų | 53.3 | 68% | 0.675 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -96.6 | 136.3 | -172 | -53.7 | -77.6 | 0 | 0 | 0 | 112.8 | L711 N731 | L711-Y734 VanDerWaalsContact CD1-O 3.3Å; L711-Y734 WeakPolarHBondContact CD1-O 3.48Å; N731-Y734 WeakPolarHBondContact O-CA 3.24Å; N731-Y734 PolarHBondContact O-N 3.23Å |
| 735 | G | 93 | Very high | 93.8 | Very high | 31 Ų | 31 | 55.5 Ų | 55.5 | 32% | 0.32 | 28% | 0.281 | S | S | . | . | S | Bend | trans | 116.9 | -177.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | P710 L711 | P710-G735 VanDerWaalsContact CA-O 3.29Å; P710-G735 WeakPolarHBondContact CA-O 3.38Å; L711-G735 PolarHBondContact N-O 2.86Å |
| 736 | H | 95 | Very high | 93.9 | Very high | 110 Ų | 110 | 50.8 Ų | 50.8 | 51% | 0.509 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 153.5 | -176.3 | -59.6 | 77 | 0 | 0 | 0 | 110.2 | R709 | R709-H736 CarbonylContact O-C 3.54Å; R709-H736 VanDerWaalsContact O-CA 3.26Å; R709-H736 WeakPolarHBondContact O-CA 3.5Å |
| 737 | R | 96.5 | Very high | 94 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 1% | 0.011 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 143.2 | 166.1 | -57.7 | -59.5 | -63 | 178.9 | -2.9 | 108.7 | D708 R709 L711 L714 L723 S724 S726 M730 L739 D842 T844 D845 | D708-R737 CarbonylContact C-O 3.53Å; D708-R737 WeakPolarHBondContact CA-O 3.28Å; R709-R737 PolarHBondContact N-O 3.04Å; R709-R737 PolarHBondContact O-N 2.84Å; L711-R737 HydrophobicContact CD2-CG 3.61Å; L714-R737 HydrophobicContact CD1-CB 3.81Å; L714-R737 HydrophobicContact CD1-CG 3.61Å; L723-R737 HydrophobicContact CD1-CG 4.46Å; L723-R737 HydrophobicContact CD2-CG 4.41Å; S724-R737 PolarHBondContact OG-NH2 3.34Å; S726-R737 PolarHBondContact OG-NH1 3.42Å; S726-R737 PolarHBondContact OG-NH2 2.68Å; M730-R737 WeakPolarHBondContact SD-CD 3.48Å; M730-R737 PolarHBondContact SD-NH1 2.88Å; R737-L739 HydrophobicContact CB-CD2 3.89Å; R737-L739 HydrophobicContact CB-CG 4.41Å; R737-D842 IonicContact CZ-OD1 2.97Å; R737-D842 IonicContact CZ-OD2 2.97Å; R737-D842 IonicContact NE-OD1 3.77Å; R737-D842 PolarHBondContact NE-OD1 2.76Å; R737-D842 IonicContact NE-OD2 3.04Å; R737-D842 PolarHBondContact NE-OD2 3.34Å; R737-D842 IonicContact NH2-OD1 2.93Å; R737-D842 PolarHBondContact NH2-OD1 3.17Å; R737-D842 VanDerWaalsContact NH2-OD1 3.08Å; R737-D842 IonicContact NH2-OD2 3.48Å; R737-D842 PolarHBondContact NH2-OD2 2.74Å; R737-T844 WeakPolarHBondContact CA-OG1 3.46Å; R737-T844 VanDerWaalsContact CZ-CB 3.47Å; R737-T844 VanDerWaalsContact CZ-OG1 3.3Å; R737-T844 PolarHBondContact NE-OG1 2.9Å; R737-T844 PolarHBondContact NH2-OG1 3.37Å; R737-D845 IonicContact NH2-OD2 2.84Å |
| 738 | R | 96.3 | Very high | 94.2 | Very high | 61 Ų | 61 | 50.8 Ų | 50.8 | 23% | 0.23 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 118.6 | 172.6 | -175.1 | 165.5 | -73.7 | 179.8 | -9.1 | 109.9 | D708 I843 T844 Y879 G881 | D708-R738 VanDerWaalsContact OD1-CB 3.28Å; D708-R738 WeakPolarHBondContact OD1-CB 3.42Å; D708-R738 WeakPolarHBondContact OD1-CG 3.25Å; D708-R738 IonicContact OD1-CZ 3.63Å; D708-R738 IonicContact OD1-NE 3.46Å; D708-R738 PolarHBondContact OD1-NE 2.69Å; D708-R738 IonicContact OD1-NH2 3.87Å; D708-R738 PolarHBondContact OD1-NH2 3Å; D708-R738 IonicContact OD2-CZ 2.8Å; D708-R738 IonicContact OD2-NE 3.08Å; D708-R738 IonicContact OD2-NH2 3.73Å; D708-R738 PolarHBondContact OD2-NH2 2.82Å; R738-I843 HydrophobicContact CB-CG1 4.27Å; R738-I843 HydrophobicContact CG-CD1 4.04Å; R738-I843 HydrophobicContact CG-CG1 3.76Å; R738-I843 WeakPolarHBondContact O-CG1 3.34Å; R738-I843 PolarHBondContact O-N 2.99Å; R738-T844 PolarHBondContact N-OG1 3.49Å; R738-T844 PolarHBondContact O-N 3.08Å; R738-Y879 VanDerWaalsContact CD-OH 3.24Å; R738-Y879 WeakPolarHBondContact CD-OH 3.49Å; R738-Y879 PolarHBondContact NH1-OH 2.93Å; R738-G881 PolarHBondContact NH1-O 2.89Å |
| 739 | L | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 125.5 | -172 | -51.6 | 178.5 | 0 | 0 | 0 | 109.4 | L706 E707 R709 L714 L723 R737 R741 W840 D842 | L706-L739 WeakPolarHBondContact CA-O 3.46Å; E707-L739 PolarHBondContact N-O 2.96Å; E707-L739 PolarHBondContact O-N 2.92Å; R709-L739 HydrophobicContact CB-CD1 3.91Å; L714-L739 HydrophobicContact CD2-CD1 4.19Å; L723-L739 HydrophobicContact CD2-CD2 4.25Å; R737-L739 HydrophobicContact CB-CD2 3.89Å; R737-L739 HydrophobicContact CB-CG 4.41Å; L739-R741 HydrophobicContact CB-CG 4.48Å; L739-R741 PolarHBondContact O-N 2.97Å; L739-W840 HydrophobicContact CB-CB 4.1Å; L739-W840 HydrophobicContact CB-CD2 4.43Å; L739-W840 HydrophobicContact CB-CG 4.1Å; L739-W840 HydrophobicContact CD1-CD2 3.87Å; L739-W840 HydrophobicContact CD1-CE3 4Å; L739-W840 HydrophobicContact CD1-CG 4.37Å; L739-W840 HydrophobicContact CD1-CH2 4.25Å; L739-W840 HydrophobicContact CD1-CZ2 4.16Å; L739-W840 HydrophobicContact CD1-CZ3 4.19Å; L739-W840 HydrophobicContact CD2-CD2 4.29Å; L739-W840 HydrophobicContact CD2-CG 4.13Å; L739-W840 HydrophobicContact CG-CD2 4.42Å; L739-W840 HydrophobicContact CG-CG 4.42Å; L739-D842 HydrophobicContact CD2-CB 4.1Å |
| 740 | L | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 101.9 | 164.8 | 169.3 | 56.1 | 0 | 0 | 0 | 108.2 | L706 W840 V841 I843 F853 I884 | L706-L740 HydrophobicContact CD2-CB 4.26Å; L706-L740 HydrophobicContact CD2-CD1 4.32Å; L740-W840 CarbonylContact O-C 3.5Å; L740-W840 WeakPolarHBondContact O-CA 3.47Å; L740-W840 WeakPolarHBondContact O-CB 3.44Å; L740-V841 HydrophobicContact CB-CB 4.45Å; L740-V841 PolarHBondContact N-O 3.5Å; L740-V841 PolarHBondContact O-N 2.65Å; L740-I843 HydrophobicContact CB-CD1 4.35Å; L740-I843 HydrophobicContact CB-CG1 4.48Å; L740-I843 HydrophobicContact CB-CG2 4.02Å; L740-F853 HydrophobicContact CD2-CD2 4.05Å; L740-F853 HydrophobicContact CD2-CE2 4.21Å; L740-I884 HydrophobicContact CB-CD1 4.46Å; L740-I884 HydrophobicContact CD1-CD1 3.59Å; L740-I884 HydrophobicContact CD1-CG2 3.8Å; L740-I884 HydrophobicContact CD2-CD1 3.58Å; L740-I884 HydrophobicContact CG-CD1 4.05Å |
| 741 | R | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 152.7 | 177.6 | -72.3 | -177.9 | 174.1 | -86.6 | 2.9 | 111.4 | A704 Y705 E707 L739 H834 I836 W840 | A704-R741 CarbonylContact C-O 3.59Å; A704-R741 WeakPolarHBondContact CA-O 3.31Å; Y705-R741 HydrophobicContact CD1-CB 4.27Å; Y705-R741 HydrophobicContact CE1-CB 3.88Å; Y705-R741 HydrophobicContact CE2-CB 4.17Å; Y705-R741 HydrophobicContact CE2-CG 4.49Å; Y705-R741 PolarHBondContact N-O 3.36Å; Y705-R741 PolarHBondContact O-N 2.91Å; Y705-R741 VanDerWaalsContact OH-CD 3.25Å; Y705-R741 WeakPolarHBondContact OH-CD 3.35Å; E707-R741 IonicContact OE2-CZ 3.23Å; E707-R741 IonicContact OE2-NE 2.7Å; E707-R741 PolarHBondContact OE2-NE 2.61Å; E707-R741 IonicContact OE2-NH2 3.63Å; E707-R741 PolarHBondContact OE2-NH2 3.03Å; L739-R741 HydrophobicContact CB-CG 4.48Å; L739-R741 PolarHBondContact O-N 2.97Å; R741-H834 HydrophobicContact CB-CB 4.46Å; R741-H834 WeakPolarHBondContact CD-O 2.94Å; R741-H834 PolarHBondContact NH1-O 2.84Å; R741-I836 PolarHBondContact NH1-O 3.19Å; R741-W840 HydrophobicContact CG-CB 4.05Å; R741-W840 VanDerWaalsContact CZ-CE3 3.4Å; R741-W840 VanDerWaalsContact NH1-CE3 3.32Å |
| 742 | F | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -166.7 | 158.1 | 176.7 | 59.6 | -82.9 | 0 | 0 | 0 | 108.8 | V700 A704 Y781 H834 Q839 F853 V855 | V700-F742 HydrophobicContact CG1-CB 4.22Å; V700-F742 HydrophobicContact CG1-CD2 3.96Å; V700-F742 HydrophobicContact CG1-CG 4.28Å; V700-F742 HydrophobicContact CG2-CD2 4.31Å; A704-F742 HydrophobicContact CB-CB 4.2Å; F742-Y781 HydrophobicContact CE1-CD2 4.29Å; F742-Y781 HydrophobicContact CE1-CG 4.34Å; F742-Y781 HydrophobicContact CE2-CD1 4.17Å; F742-Y781 HydrophobicContact CE2-CE1 4.06Å; F742-Y781 HydrophobicContact CE2-CE2 4.5Å; F742-Y781 HydrophobicContact CE2-CG 4.47Å; F742-Y781 AromaticContact CZ-CD1 3.67Å; F742-Y781 HydrophobicContact CZ-CD1 3.67Å; F742-Y781 AromaticContact CZ-CD2 3.63Å; F742-Y781 HydrophobicContact CZ-CD2 3.63Å; F742-Y781 AromaticContact CZ-CE1 3.89Å; F742-Y781 HydrophobicContact CZ-CE1 3.89Å; F742-Y781 AromaticContact CZ-CE2 3.82Å; F742-Y781 HydrophobicContact CZ-CE2 3.82Å; F742-Y781 AromaticContact CZ-CG 3.55Å; F742-Y781 HydrophobicContact CZ-CG 3.55Å; F742-Y781 AromaticContact CZ-CZ 3.95Å; F742-H834 WeakPolarHBondContact O-CA 3.16Å; F742-Q839 WeakPolarHBondContact O-CG 3.49Å; F742-Q839 PolarHBondContact O-NE2 2.82Å; F742-F853 HydrophobicContact CD1-CE1 4.37Å; F742-F853 HydrophobicContact CD1-CE2 4.38Å; F742-F853 AromaticContact CD1-CZ 3.67Å; F742-F853 HydrophobicContact CD1-CZ 3.67Å; F742-F853 HydrophobicContact CD2-CE1 4.47Å; F742-F853 HydrophobicContact CD2-CZ 4.22Å; F742-F853 HydrophobicContact CE1-CE1 4.47Å; F742-F853 HydrophobicContact CE1-CE2 4Å; F742-F853 AromaticContact CE1-CZ 3.45Å; F742-F853 HydrophobicContact CE1-CZ 3.45Å; F742-F853 VanDerWaalsContact CE1-CZ 3.45Å; F742-F853 HydrophobicContact CE2-CZ 4Å; F742-F853 HydrophobicContact CG-CE1 4.39Å; F742-F853 HydrophobicContact CG-CZ 4.08Å; F742-F853 HydrophobicContact CZ-CE2 4.41Å; F742-F853 AromaticContact CZ-CZ 3.63Å; F742-F853 HydrophobicContact CZ-CZ 3.63Å; F742-V855 HydrophobicContact CE2-CG2 3.97Å; F742-V855 HydrophobicContact CZ-CG2 4.35Å | ||
| 743 | S | 95.4 | Very high | 95.1 | Very high | 5 Ų | 5 | 31.8 Ų | 31.8 | 4% | 0.035 | 16% | 0.159 | C | C | . | . | trans | -92.7 | 138.7 | 172.5 | -53 | 0 | 0 | 0 | 0 | 110.2 | V700 S703 Y832 H834 | V700-S743 WeakPolarHBondContact CG2-O 3.44Å; S703-S743 WeakPolarHBondContact OG-CB 3.42Å; S703-S743 PolarHBondContact OG-N 3.34Å; S703-S743 PolarHBondContact OG-OG 3.06Å; S743-Y832 CarbonylContact C-O 3.58Å; S743-Y832 VanDerWaalsContact CA-O 3.24Å; S743-Y832 WeakPolarHBondContact CA-O 3.38Å; S743-H834 PolarHBondContact OG-CD2 3.3Å; S743-H834 PolarHBondContact OG-N 3.2Å | ||
| 744 | S | 94.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 120.6 | 168.2 | 58.3 | 0 | 0 | 0 | 0 | 110.6 | Y781 Y832 Q839 | S744-Y781 PolarHBondContact OG-OH 2.89Å; S744-Y832 PolarHBondContact N-O 2.87Å; S744-Y832 PolarHBondContact O-N 2.62Å; S744-Q839 PolarHBondContact OG-NE2 2.77Å |
| 745 | R | 94.4 | Very high | 95.1 | Very high | 70 Ų | 70 | 27.6 Ų | 27.6 | 26% | 0.264 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 122.5 | 168.1 | 174.3 | -176.2 | -65.2 | 152.8 | -6.6 | 108.8 | V695 D696 L699 M747 W829 D830 T831 | V695-R745 WeakPolarHBondContact CA-O 3.47Å; D696-R745 HydrophobicContact CB-CB 3.88Å; D696-R745 HydrophobicContact CB-CG 4.29Å; D696-R745 PolarHBondContact N-O 2.85Å; D696-R745 IonicContact OD2-CZ 2.96Å; D696-R745 IonicContact OD2-NH1 3.99Å; D696-R745 PolarHBondContact OD2-NH1 3.38Å; L699-R745 HydrophobicContact CD2-CB 3.53Å; R745-M747 HydrophobicContact CG-CG 4.18Å; R745-W829 HydrophobicContact CG-CB 3.77Å; R745-W829 HydrophobicContact CG-CG 4.38Å; R745-D830 WeakPolarHBondContact CA-O 3.49Å; R745-T831 HydrophobicContact CB-CG2 4.35Å; R745-T831 PolarHBondContact NE-OG1 2.87Å |
| 746 | I | 95.3 | Very high | 95 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 119.9 | 178.8 | -59 | 86.1 | 0 | 0 | 0 | 107.6 | L693 F778 I824 W829 D830 Y832 V857 | L693-I746 HydrophobicContact CB-CG2 4.04Å; L693-I746 HydrophobicContact CD1-CG2 4.46Å; L693-I746 HydrophobicContact CD2-CG2 4Å; L693-I746 HydrophobicContact CG-CG2 4.4Å; I746-F778 HydrophobicContact CG1-CE1 4.28Å; I746-F778 HydrophobicContact CG2-CE1 4.22Å; I746-F778 HydrophobicContact CG2-CZ 4.28Å; I746-I824 HydrophobicContact CG2-CD1 4.21Å; I746-W829 CarbonylContact O-C 3.55Å; I746-W829 WeakPolarHBondContact O-CA 3.47Å; I746-W829 WeakPolarHBondContact O-CB 3.32Å; I746-D830 PolarHBondContact N-O 3.16Å; I746-D830 PolarHBondContact O-N 2.87Å; I746-Y832 HydrophobicContact CD1-CD2 4.25Å; I746-V857 HydrophobicContact CG1-CG2 4.27Å; I746-V857 HydrophobicContact CG2-CG2 4.01Å |
| 747 | M | 94.4 | Very high | 94.5 | Very high | 18 Ų | 18 | 29.9 Ų | 29.9 | 9% | 0.089 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 131.2 | -172.3 | -56.8 | -170 | -73.7 | 0 | 0 | 109.6 | T526 D692 L693 V694 D696 R745 M749 W829 | T526-M747 HydrophobicContact CG2-CE 4.32Å; D692-M747 VanDerWaalsContact O-O 3.14Å; L693-M747 VanDerWaalsContact CA-O 3.29Å; L693-M747 WeakPolarHBondContact CA-O 3.31Å; V694-M747 HydrophobicContact CB-CE 4.1Å; V694-M747 HydrophobicContact CG1-CE 4.14Å; V694-M747 PolarHBondContact N-O 3.27Å; V694-M747 WeakPolarHBondContact O-CB 3.37Å; V694-M747 PolarHBondContact O-N 2.84Å; D696-M747 HydrophobicContact CB-CE 4.26Å; D696-M747 HydrophobicContact CB-SD 4.39Å; R745-M747 HydrophobicContact CG-CG 4.18Å; M747-M749 HydrophobicContact CB-CG 4.29Å; M747-M749 HydrophobicContact SD-CE 4.46Å; M747-W829 HydrophobicContact CB-CE3 3.5Å; M747-W829 VanDerWaalsContact CB-CE3 3.5Å; M747-W829 HydrophobicContact CB-CZ3 4.09Å; M747-W829 HydrophobicContact CG-CB 4.23Å; M747-W829 HydrophobicContact CG-CD2 4.11Å; M747-W829 HydrophobicContact CG-CE3 3.24Å; M747-W829 HydrophobicContact CG-CZ3 3.84Å; M747-W829 HydrophobicContact SD-CD2 4.48Å; M747-W829 HydrophobicContact SD-CE3 3.47Å; M747-W829 HydrophobicContact SD-CH2 4.44Å; M747-W829 HydrophobicContact SD-CZ3 3.41Å; M747-W829 WeakPolarHBondContact SD-CZ3 3.49Å |
| 748 | N | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 98.5 | 169.9 | -176.8 | 8.2 | 0 | 0 | 0 | 110.5 | P691 D692 L693 G750 A752 F754 I824 G827 C828 | P691-N748 WeakPolarHBondContact CA-OD1 3.33Å; D692-N748 PolarHBondContact N-OD1 2.93Å; D692-N748 VanDerWaalsContact N-OD1 3.13Å; D692-N748 CarbonylContact O-C 3.31Å; D692-N748 WeakPolarHBondContact O-CA 3.46Å; L693-N748 HydrophobicContact CD2-CB 4.24Å; N748-G750 PolarHBondContact OD1-N 3.23Å; N748-A752 PolarHBondContact ND2-O 2.87Å; N748-F754 PolarHBondContact ND2-N 3.06Å; N748-I824 HydrophobicContact CB-CB 4.28Å; N748-I824 HydrophobicContact CB-CG2 3.73Å; N748-I824 PolarHBondContact ND2-O 2.68Å; N748-G827 WeakPolarHBondContact O-CA 3.37Å; N748-G827 PolarHBondContact O-N 2.95Å; N748-C828 PolarHBondContact N-O 2.75Å |
| 749 | M | 94 | Very high | 93.5 | Very high | 14 Ų | 14 | 32.8 Ų | 32.8 | 7% | 0.069 | 16% | 0.16 | C | C | . | . | trans | -94 | 4.5 | -179.8 | -62.7 | -57.9 | -134.8 | 0 | 0 | 113.7 | G523 Q524 T526 D692 V694 M747 W829 | G523-M749 WeakPolarHBondContact CA-O 3.36Å; Q524-M749 HydrophobicContact CB-CB 4.33Å; Q524-M749 HydrophobicContact CB-CE 4.47Å; Q524-M749 HydrophobicContact CB-SD 4.09Å; Q524-M749 PolarHBondContact N-O 2.82Å; Q524-M749 VanDerWaalsContact N-O 3.1Å; Q524-M749 PolarHBondContact NE2-SD 2.65Å; T526-M749 HydrophobicContact CG2-CE 3.92Å; T526-M749 HydrophobicContact CG2-CG 4.47Å; D692-M749 HydrophobicContact CB-CB 4.44Å; D692-M749 PolarHBondContact O-N 3.08Å; V694-M749 HydrophobicContact CG2-CG 4.29Å; M747-M749 HydrophobicContact CB-CG 4.29Å; M747-M749 HydrophobicContact SD-CE 4.46Å; M749-W829 HydrophobicContact CE-CZ3 4.12Å; M749-W829 HydrophobicContact SD-CZ3 4.28Å | ||
| 750 | G | 94 | Very high | 93 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 4% | 0.041 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -83.1 | -160.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D692 N748 V826 | D692-G750 VanDerWaalsContact CB-CA 3.5Å; N748-G750 PolarHBondContact OD1-N 3.23Å; G750-V826 VanDerWaalsContact O-CG1 3.24Å; G750-V826 WeakPolarHBondContact O-CG1 3.49Å |
| 751 | L | 94.4 | Very high | 92.5 | Very high | 61 Ų | 61 | 44.6 Ų | 44.6 | 32% | 0.319 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -113 | -2.5 | -179.1 | -63.4 | -179.2 | 0 | 0 | 0 | 113.8 | Q521 T689 A690 | Q521-L751 WeakPolarHBondContact O-CD1 3.38Å; T689-L751 HydrophobicContact CG2-CB 3.92Å; T689-L751 HydrophobicContact CG2-CD1 4.39Å; A690-L751 PolarHBondContact O-N 3.31Å |
| 752 | A | 95.2 | Very high | 92.1 | Very high | 23 Ų | 23 | 47.7 Ų | 47.7 | 19% | 0.19 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -131.4 | 156.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | A690 P691 N748 F754 V826 | A690-A752 PolarHBondContact O-N 2.63Å; P691-A752 WeakPolarHBondContact CA-O 3.5Å; P691-A752 VanDerWaalsContact CB-O 3.31Å; P691-A752 WeakPolarHBondContact CB-O 3.4Å; N748-A752 PolarHBondContact ND2-O 2.87Å; A752-F754 PolarHBondContact O-N 2.98Å; A752-V826 WeakPolarHBondContact O-CG2 3.41Å |
| 753 | D | 95.5 | Very high | 91.8 | Very high | 32 Ų | 32 | 48.9 Ų | 48.9 | 17% | 0.171 | 24% | 0.237 | C | C | . | . | trans | -64.8 | 135.9 | 173.7 | -65 | -7.9 | 0 | 0 | 0 | 109.8 | R755 R813 Y814 I824 S825 V826 | D753-R755 IonicContact OD2-NH2 3.16Å; D753-R813 IonicContact OD1-NH1 2.87Å; D753-R813 IonicContact OD2-CZ 2.68Å; D753-R813 IonicContact OD2-NH1 3.95Å; D753-R813 PolarHBondContact OD2-NH1 3.09Å; D753-Y814 HydrophobicContact CB-CE2 3.91Å; D753-Y814 WeakPolarHBondContact CB-OH 3.18Å; D753-Y814 WeakPolarHBondContact OD2-CE2 3.09Å; D753-Y814 PolarHBondContact OD2-OH 3.42Å; D753-I824 WeakPolarHBondContact CA-O 3.33Å; D753-S825 WeakPolarHBondContact OD1-CA 3.47Å; D753-V826 PolarHBondContact OD1-N 2.8Å | ||
| 754 | F | 94.8 | Very high | 91.4 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.009 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | -76.2 | 132 | 169.7 | -174.3 | -100.1 | 0 | 0 | 0 | 109.5 | P691 L693 N748 A752 I775 F778 L801 G823 I824 M863 | P691-F754 HydrophobicContact CB-CB 3.82Å; P691-F754 HydrophobicContact CB-CD2 4.03Å; P691-F754 HydrophobicContact CB-CG 4.46Å; P691-F754 HydrophobicContact CG-CB 4.22Å; P691-F754 HydrophobicContact CG-CD2 3.71Å; P691-F754 HydrophobicContact CG-CG 4.46Å; L693-F754 HydrophobicContact CD1-CD1 4.16Å; L693-F754 HydrophobicContact CD1-CD2 3.58Å; L693-F754 HydrophobicContact CD1-CE1 3.97Å; L693-F754 HydrophobicContact CD1-CE2 3.39Å; L693-F754 HydrophobicContact CD1-CG 3.97Å; L693-F754 HydrophobicContact CD1-CZ 3.59Å; L693-F754 HydrophobicContact CD2-CB 4Å; L693-F754 HydrophobicContact CD2-CD1 4.42Å; L693-F754 HydrophobicContact CD2-CD2 4.04Å; L693-F754 HydrophobicContact CD2-CG 3.9Å; L693-F754 HydrophobicContact CG-CD2 3.91Å; L693-F754 HydrophobicContact CG-CE2 4.18Å; L693-F754 HydrophobicContact CG-CG 4.26Å; N748-F754 PolarHBondContact ND2-N 3.06Å; A752-F754 PolarHBondContact O-N 2.98Å; F754-I775 HydrophobicContact CE1-CD1 4.36Å; F754-F778 HydrophobicContact CD1-CZ 4.38Å; F754-F778 HydrophobicContact CE1-CD2 4.36Å; F754-F778 AromaticContact CE1-CE2 3.45Å; F754-F778 HydrophobicContact CE1-CE2 3.45Å; F754-F778 VanDerWaalsContact CE1-CE2 3.45Å; F754-F778 AromaticContact CE1-CZ 3.7Å; F754-F778 HydrophobicContact CE1-CZ 3.7Å; F754-F778 HydrophobicContact CE2-CE2 4.47Å; F754-F778 HydrophobicContact CZ-CD2 4.35Å; F754-F778 AromaticContact CZ-CE2 3.44Å; F754-F778 HydrophobicContact CZ-CE2 3.44Å; F754-F778 VanDerWaalsContact CZ-CE2 3.44Å; F754-F778 HydrophobicContact CZ-CZ 4.05Å; F754-L801 HydrophobicContact CD1-CD1 3.86Å; F754-L801 HydrophobicContact CD1-CD2 4.45Å; F754-L801 HydrophobicContact CE1-CD1 3.71Å; F754-L801 HydrophobicContact CE1-CD2 4.28Å; F754-G823 CarbonylContact O-C 3.47Å; F754-G823 WeakPolarHBondContact O-CA 3.36Å; F754-I824 HydrophobicContact CB-CB 4.2Å; F754-I824 PolarHBondContact N-O 2.83Å; F754-I824 PolarHBondContact O-N 2.87Å; F754-M863 HydrophobicContact CE1-CE 4.34Å; F754-M863 HydrophobicContact CE1-SD 3.9Å; F754-M863 HydrophobicContact CE2-CB 3.67Å; F754-M863 HydrophobicContact CE2-CE 4.49Å; F754-M863 HydrophobicContact CE2-CG 4.46Å; F754-M863 HydrophobicContact CE2-SD 4.17Å; F754-M863 HydrophobicContact CZ-CB 3.82Å; F754-M863 HydrophobicContact CZ-CE 3.57Å; F754-M863 HydrophobicContact CZ-CG 4.16Å; F754-M863 HydrophobicContact CZ-SD 3.34Å; F754-M863 WeakPolarHBondContact CZ-SD 3.45Å |
| 755 | R | 91.9 | Very high | 90.8 | Very high | 146 Ų | 146 | 57.9 Ų | 57.9 | 55% | 0.551 | 28% | 0.279 | S | S | * | . | trans | -136.9 | 145.5 | -177.2 | -69 | -168.5 | -179.4 | 156.1 | 4.6 | 111.8 | D753 Y814 | D753-R755 IonicContact OD2-NH2 3.16Å; R755-Y814 PolarHBondContact NE-OH 2.83Å; R755-Y814 PolarHBondContact NH2-OH 2.74Å | ||
| 756 | P | 89.6 | Confident | 90 | Very high | 21 Ų | 21 | 56.1 Ų | 56.1 | 14% | 0.136 | 27% | 0.274 | C | S | . | . | trans | -65.5 | 141 | 176.6 | 28.5 | -34.1 | 0 | 0 | 0 | 110.7 | A758 W763 I775 L801 Q822 | P756-A758 VanDerWaalsContact C-N 3.29Å; P756-A758 PolarHBondContact O-N 3.29Å; P756-W763 HydrophobicContact CG-CZ2 4.03Å; P756-I775 HydrophobicContact CB-CD1 4.26Å; P756-I775 HydrophobicContact CB-CG1 3.96Å; P756-L801 HydrophobicContact CB-CD1 4.27Å; P756-L801 HydrophobicContact CG-CD1 4.48Å; P756-Q822 VanDerWaalsContact CD-O 3.26Å; P756-Q822 WeakPolarHBondContact CD-O 3.24Å; P756-Q822 HydrophobicContact CG-CB 4.49Å | ||
| 757 | R | 86 | Confident | 89.1 | Confident | 168 Ų | 168 | 62.7 Ų | 62.7 | 63% | 0.634 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -64.1 | -36.4 | 173.5 | 176.2 | 178 | 169.3 | 173.7 | -2.6 | 112 | D862 M863 | R757-D862 IonicContact NH1-OD1 2.83Å; R757-D862 PolarHBondContact NH1-OD1 2.92Å; R757-M863 HydrophobicContact CB-CG 4.21Å |
| 758 | A | 83.5 | Confident | 88.2 | Confident | 39 Ų | 39 | 63.4 Ų | 63.4 | 32% | 0.322 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -70.7 | 134.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | P756 S762 W763 S774 | P756-A758 VanDerWaalsContact C-N 3.29Å; P756-A758 PolarHBondContact O-N 3.29Å; A758-S762 WeakPolarHBondContact CB-OG 3.43Å; A758-W763 PolarHBondContact O-NE1 2.93Å; A758-S774 WeakPolarHBondContact CB-O 3.3Å |
| 759 | T | 86.3 | Confident | 87.2 | Confident | 86 Ų | 86 | 65.3 Ų | 65.3 | 53% | 0.528 | 32% | 0.32 | S | S | . | . | trans | -71.3 | 157.7 | 175.7 | 71.6 | 0 | 0 | 0 | 0 | 110.4 | E761 S762 W763 | T759-E761 WeakPolarHBondContact CB-OE2 3.46Å; T759-E761 PolarHBondContact O-N 3.11Å; T759-E761 PolarHBondContact OG1-OE2 3.43Å; T759-S762 PolarHBondContact N-OG 2.81Å; T759-S762 PolarHBondContact O-N 3.28Å; T759-S762 PolarHBondContact O-OG 3.46Å; T759-W763 PolarHBondContact O-NE1 2.89Å | ||
| 760 | R | 87.1 | Confident | 86.6 | Confident | 94 Ų | 94 | 74 Ų | 74 | 36% | 0.355 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -57.5 | -29.1 | -173.5 | -174.3 | 174.2 | 179.4 | -164 | -1.8 | 113.8 | S762 W763 W819 | R760-S762 VanDerWaalsContact C-N 3.27Å; R760-S762 PolarHBondContact O-N 2.82Å; R760-W763 HydrophobicContact CB-CD2 4.41Å; R760-W763 HydrophobicContact CB-CH2 4.38Å; R760-W763 HydrophobicContact CB-CZ2 4.26Å; R760-W763 HydrophobicContact CG-CD2 4.24Å; R760-W763 HydrophobicContact CG-CE3 3.91Å; R760-W763 HydrophobicContact CG-CH2 4.12Å; R760-W763 HydrophobicContact CG-CZ2 4.45Å; R760-W763 HydrophobicContact CG-CZ3 3.84Å; R760-W763 PolarHBondContact O-N 2.99Å; R760-W819 HydrophobicContact CG-CZ2 3.77Å; R760-W819 VanDerWaalsContact CG-NE1 3.31Å; R760-W819 VanDerWaalsContact NE-CD2 3.34Å; R760-W819 VanDerWaalsContact NE-CE2 3.26Å; R760-W819 PolarHBondContact NE-O 3.45Å; R760-W819 VanDerWaalsContact NH2-CE3 3.3Å; R760-W819 PolarHBondContact NH2-O 3.05Å |
| 761 | E | 87.8 | Confident | 86 | Confident | 153 Ų | 153 | 75.8 Ų | 75.8 | 72% | 0.715 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -73.6 | -21.2 | 179.2 | -52.1 | 72.1 | -151 | 0 | 0 | 112.5 | T759 | T759-E761 WeakPolarHBondContact CB-OE2 3.46Å; T759-E761 PolarHBondContact O-N 3.11Å; T759-E761 PolarHBondContact OG1-OE2 3.43Å |
| 762 | S | 88.6 | Confident | 85.6 | Confident | 65 Ų | 65 | 76.1 Ų | 76.1 | 46% | 0.455 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -93.4 | -3.4 | 178.4 | 64 | 0 | 0 | 0 | 0 | 113.6 | A758 T759 R760 | A758-S762 WeakPolarHBondContact CB-OG 3.43Å; T759-S762 PolarHBondContact N-OG 2.81Å; T759-S762 PolarHBondContact O-N 3.28Å; T759-S762 PolarHBondContact O-OG 3.46Å; R760-S762 VanDerWaalsContact C-N 3.27Å; R760-S762 PolarHBondContact O-N 2.82Å |
| 763 | W | 89.6 | Confident | 85.1 | Confident | 25 Ų | 25 | 75.4 Ų | 75.4 | 10% | 0.095 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 139.4 | 177.8 | -61.2 | -5.3 | 0 | 0 | 0 | 111 | P756 A758 T759 R760 Y772 H773 W819 G820 Q822 | P756-W763 HydrophobicContact CG-CZ2 4.03Å; A758-W763 PolarHBondContact O-NE1 2.93Å; T759-W763 PolarHBondContact O-NE1 2.89Å; R760-W763 HydrophobicContact CB-CD2 4.41Å; R760-W763 HydrophobicContact CB-CH2 4.38Å; R760-W763 HydrophobicContact CB-CZ2 4.26Å; R760-W763 HydrophobicContact CG-CD2 4.24Å; R760-W763 HydrophobicContact CG-CE3 3.91Å; R760-W763 HydrophobicContact CG-CH2 4.12Å; R760-W763 HydrophobicContact CG-CZ2 4.45Å; R760-W763 HydrophobicContact CG-CZ3 3.84Å; R760-W763 PolarHBondContact O-N 2.99Å; W763-Y772 HydrophobicContact CB-CD1 3.98Å; W763-Y772 HydrophobicContact CB-CG 4.47Å; W763-Y772 WeakPolarHBondContact O-CD1 3.45Å; W763-H773 WeakPolarHBondContact CA-O 3.37Å; W763-H773 WeakPolarHBondContact CB-O 3.22Å; W763-W819 AromaticContact CE3-CD1 3.92Å; W763-W819 AromaticContact CE3-NE1 3.92Å; W763-G820 VanDerWaalsContact CZ3-O 3.3Å; W763-G820 WeakPolarHBondContact CZ3-O 3.23Å; W763-Q822 HydrophobicContact CH2-CB 3.89Å; W763-Q822 HydrophobicContact CH2-CG 3.88Å; W763-Q822 HydrophobicContact CZ2-CB 4.21Å; W763-Q822 HydrophobicContact CZ3-CB 4.43Å; W763-Q822 HydrophobicContact CZ3-CG 3.91Å |
| 764 | V | 86.3 | Confident | 84.7 | Confident | 80 Ų | 80 | 74.1 Ų | 74.1 | 49% | 0.485 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 126.6 | -175 | -178.2 | 0 | 0 | 0 | 0 | 109.2 | Y772 H773 | V764-Y772 CarbonylContact O-C 3.57Å; V764-Y772 WeakPolarHBondContact O-CA 3.44Å; V764-H773 PolarHBondContact N-O 2.98Å; V764-H773 VanDerWaalsContact N-O 3.11Å; V764-H773 PolarHBondContact O-N 3.09Å |
| 765 | W | 83.3 | Confident | 84.1 | Confident | 114 Ų | 114 | 75 Ų | 75 | 43% | 0.432 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 134.2 | 172.3 | 173.8 | -95.2 | 0 | 0 | 0 | 110.2 | R770 H771 Y772 | W765-R770 HydrophobicContact CH2-CB 4.21Å; W765-R770 WeakPolarHBondContact CH2-O 2.97Å; W765-R770 VanDerWaalsContact CZ2-CA 3.46Å; W765-R770 HydrophobicContact CZ2-CB 4.08Å; W765-R770 WeakPolarHBondContact CZ3-O 3.41Å; W765-H771 VanDerWaalsContact CE3-C 3.46Å; W765-Y772 HydrophobicContact CB-CD1 4.05Å; W765-Y772 HydrophobicContact CB-CE1 3.78Å; W765-Y772 AromaticContact CE3-CD2 3.66Å; W765-Y772 HydrophobicContact CE3-CD2 3.66Å; W765-Y772 AromaticContact CE3-CE2 3.67Å; W765-Y772 HydrophobicContact CE3-CE2 3.67Å; W765-Y772 HydrophobicContact CE3-CG 4.17Å; W765-Y772 HydrophobicContact CZ3-CD2 4.17Å; W765-Y772 HydrophobicContact CZ3-CE2 4.24Å |
| 766 | H | 76.2 | Confident | 83.3 | Confident | 34 Ų | 34 | 75.4 Ų | 75.4 | 16% | 0.157 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 126.3 | 173.8 | -158.4 | -94.3 | 0 | 0 | 0 | 112.9 | E720 C768 H769 R770 H771 H773 | E720-H766 WeakPolarHBondContact CG-CE1 3.3Å; E720-H766 WeakPolarHBondContact CG-NE2 3.49Å; E720-H766 IonicContact OE1-CD2 2.9Å; E720-H766 IonicContact OE1-CE1 2.83Å; E720-H766 PolarHBondContact OE1-CE1 2.84Å; E720-H766 IonicContact OE1-CG 3.46Å; E720-H766 VanDerWaalsContact OE1-CG 3.23Å; E720-H766 IonicContact OE1-ND1 3.69Å; E720-H766 PolarHBondContact OE1-ND1 2.7Å; E720-H766 IonicContact OE1-NE2 3.58Å; E720-H766 PolarHBondContact OE1-NE2 3.25Å; E720-H766 IonicContact OE2-CE1 3.71Å; H766-C768 VanDerWaalsContact C-N 3.35Å; H766-C768 PolarHBondContact ND1-N 3Å; H766-C768 PolarHBondContact O-N 2.89Å; H766-H769 PolarHBondContact O-N 2.96Å; H766-R770 WeakPolarHBondContact O-CA 3.49Å; H766-R770 PolarHBondContact O-N 2.75Å; H766-H771 PolarHBondContact N-O 2.97Å; H766-H773 WeakPolarHBondContact CB-CE1 3.49Å; H766-H773 VanDerWaalsContact CB-ND1 3.32Å; H766-H773 WeakPolarHBondContact CB-ND1 3.03Å; H766-H773 AromaticContact CG-CE1 3.66Å |
| 767 | Q | 76.2 | Confident | 82.7 | Confident | 137 Ų | 137 | 77 Ų | 77 | 64% | 0.64 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -33.6 | -171.5 | -174.4 | 60.5 | 14.3 | 0 | 0 | 112.7 | ||
| 768 | C | 76.4 | Confident | 82.7 | Confident | 34 Ų | 34 | 69 Ų | 69 | 23% | 0.23 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -38.3 | -178.8 | -63.8 | 0 | 0 | 0 | 0 | 112.1 | C716 H766 | C716-C768 WeakPolarHBondContact CA-SG 3.26Å; C716-C768 HydrophobicContact CB-CB 3.55Å; C716-C768 WeakPolarHBondContact CB-SG 3.48Å; C716-C768 WeakPolarHBondContact SG-CB 2.88Å; C716-C768 CovalentContact SG-SG 2.04Å; C716-C768 PolarHBondContact SG-SG 2.87Å; H766-C768 VanDerWaalsContact C-N 3.35Å; H766-C768 PolarHBondContact ND1-N 3Å; H766-C768 PolarHBondContact O-N 2.89Å |
| 769 | H | 74.1 | Confident | 83 | Confident | 40 Ų | 40 | 67.2 Ų | 67.2 | 19% | 0.185 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -11.4 | -178.3 | -58.3 | 157.7 | 0 | 0 | 0 | 114 | E720 H766 H771 H773 | E720-H769 VanDerWaalsContact CD-CE1 3.41Å; E720-H769 IonicContact OE1-CE1 3.82Å; E720-H769 PolarHBondContact OE1-CE1 3.45Å; E720-H769 IonicContact OE1-CG 3.71Å; E720-H769 IonicContact OE1-ND1 3.89Å; E720-H769 PolarHBondContact OE1-ND1 2.91Å; E720-H769 VanDerWaalsContact OE1-ND1 3.15Å; E720-H769 IonicContact OE1-NE2 3.54Å; E720-H769 IonicContact OE2-CE1 3.65Å; E720-H769 PolarHBondContact OE2-CE1 2.99Å; E720-H769 IonicContact OE2-NE2 2.9Å; E720-H769 PolarHBondContact OE2-NE2 2.86Å; H766-H769 PolarHBondContact O-N 2.96Å; H769-H771 VanDerWaalsContact CB-CE1 3.48Å; H769-H771 WeakPolarHBondContact CB-CE1 3.34Å; H769-H771 PolarHBondContact O-N 2.82Å; H769-H771 PolarHBondContact O-ND1 3.36Å; H769-H773 AromaticContact ND1-CE1 3.46Å; H769-H773 PolarHBondContact ND1-CE1 3.43Å; H769-H773 AromaticContact ND1-NE2 3.52Å |
| 770 | R | 81.8 | Confident | 83.3 | Confident | 195 Ų | 195 | 65.2 Ų | 65.2 | 74% | 0.736 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 38.2 | 177.3 | -55.9 | -178.4 | 178.6 | -177 | 0.7 | 113.4 | W765 H766 | W765-R770 HydrophobicContact CH2-CB 4.21Å; W765-R770 WeakPolarHBondContact CH2-O 2.97Å; W765-R770 VanDerWaalsContact CZ2-CA 3.46Å; W765-R770 HydrophobicContact CZ2-CB 4.08Å; W765-R770 WeakPolarHBondContact CZ3-O 3.41Å; H766-R770 WeakPolarHBondContact O-CA 3.49Å; H766-R770 PolarHBondContact O-N 2.75Å |
| 771 | H | 82.5 | Confident | 83.7 | Confident | 43 Ų | 43 | 60.8 Ų | 60.8 | 20% | 0.199 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 171.3 | 170.6 | 58.9 | -100.5 | 0 | 0 | 0 | 111.1 | W765 H766 H769 H773 C800 C816 | W765-H771 VanDerWaalsContact CE3-C 3.46Å; H766-H771 PolarHBondContact N-O 2.97Å; H769-H771 VanDerWaalsContact CB-CE1 3.48Å; H769-H771 WeakPolarHBondContact CB-CE1 3.34Å; H769-H771 PolarHBondContact O-N 2.82Å; H769-H771 PolarHBondContact O-ND1 3.36Å; H771-H773 AromaticContact CD2-CD2 3.34Å; H771-H773 PolarHBondContact CD2-CD2 2.86Å; H771-H773 AromaticContact CD2-NE2 3.4Å; H771-H773 PolarHBondContact CD2-NE2 3.02Å; H771-H773 AromaticContact CE1-NE2 3.96Å; H771-H773 AromaticContact NE2-CD2 3.39Å; H771-H773 PolarHBondContact NE2-CD2 3.2Å; H771-H773 AromaticContact NE2-NE2 3.16Å; H771-H773 PolarHBondContact NE2-NE2 3.08Å; H771-H773 VanDerWaalsContact NE2-NE2 3.16Å; H771-C800 VanDerWaalsContact NE2-CB 3.26Å; H771-C800 WeakPolarHBondContact NE2-CB 3.31Å; H771-C816 HydrophobicContact CB-CB 4.44Å |
| 772 | Y | 85.3 | Confident | 84 | Confident | 68 Ų | 68 | 53.9 Ų | 53.9 | 27% | 0.267 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 140.8 | 175.6 | -79.7 | -85.1 | 0 | 0 | 0 | 110.8 | W763 V764 W765 W819 Q822 | W763-Y772 HydrophobicContact CB-CD1 3.98Å; W763-Y772 HydrophobicContact CB-CG 4.47Å; W763-Y772 WeakPolarHBondContact O-CD1 3.45Å; V764-Y772 CarbonylContact O-C 3.57Å; V764-Y772 WeakPolarHBondContact O-CA 3.44Å; W765-Y772 HydrophobicContact CB-CD1 4.05Å; W765-Y772 HydrophobicContact CB-CE1 3.78Å; W765-Y772 AromaticContact CE3-CD2 3.66Å; W765-Y772 HydrophobicContact CE3-CD2 3.66Å; W765-Y772 AromaticContact CE3-CE2 3.67Å; W765-Y772 HydrophobicContact CE3-CE2 3.67Å; W765-Y772 HydrophobicContact CE3-CG 4.17Å; W765-Y772 HydrophobicContact CZ3-CD2 4.17Å; W765-Y772 HydrophobicContact CZ3-CE2 4.24Å; Y772-W819 HydrophobicContact CD2-CB 4.11Å; Y772-W819 AromaticContact CD2-CD1 3.42Å; Y772-W819 VanDerWaalsContact CD2-CD1 3.42Å; Y772-W819 AromaticContact CD2-CG 3.9Å; Y772-W819 HydrophobicContact CD2-CG 3.9Å; Y772-W819 HydrophobicContact CE2-CB 4.16Å; Y772-W819 AromaticContact CE2-CD1 3.72Å; Y772-W819 HydrophobicContact CE2-CD2 4.45Å; Y772-W819 AromaticContact CE2-CG 3.88Å; Y772-W819 HydrophobicContact CE2-CG 3.88Å; Y772-W819 AromaticContact CG-CD1 3.82Å; Y772-Q822 PolarHBondContact O-NE2 2.83Å |
| 773 | H | 84.6 | Confident | 84.4 | Confident | 8 Ų | 8 | 50.9 Ų | 50.9 | 4% | 0.037 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 123.9 | 173 | -56.9 | 145.6 | 0 | 0 | 0 | 109.4 | W763 V764 H766 H769 H771 S798 F799 | W763-H773 WeakPolarHBondContact CA-O 3.37Å; W763-H773 WeakPolarHBondContact CB-O 3.22Å; V764-H773 PolarHBondContact N-O 2.98Å; V764-H773 VanDerWaalsContact N-O 3.11Å; V764-H773 PolarHBondContact O-N 3.09Å; H766-H773 WeakPolarHBondContact CB-CE1 3.49Å; H766-H773 VanDerWaalsContact CB-ND1 3.32Å; H766-H773 WeakPolarHBondContact CB-ND1 3.03Å; H766-H773 AromaticContact CG-CE1 3.66Å; H769-H773 AromaticContact ND1-CE1 3.46Å; H769-H773 PolarHBondContact ND1-CE1 3.43Å; H769-H773 AromaticContact ND1-NE2 3.52Å; H771-H773 AromaticContact CD2-CD2 3.34Å; H771-H773 PolarHBondContact CD2-CD2 2.86Å; H771-H773 AromaticContact CD2-NE2 3.4Å; H771-H773 PolarHBondContact CD2-NE2 3.02Å; H771-H773 AromaticContact CE1-NE2 3.96Å; H771-H773 AromaticContact NE2-CD2 3.39Å; H771-H773 PolarHBondContact NE2-CD2 3.2Å; H771-H773 AromaticContact NE2-NE2 3.16Å; H771-H773 PolarHBondContact NE2-NE2 3.08Å; H771-H773 VanDerWaalsContact NE2-NE2 3.16Å; H773-S798 PolarHBondContact CD2-O 3.27Å; H773-S798 VanDerWaalsContact CE1-CB 3.48Å; H773-S798 WeakPolarHBondContact CE1-CB 3.47Å; H773-S798 PolarHBondContact CE1-OG 2.77Å; H773-S798 VanDerWaalsContact CG-CB 3.45Å; H773-S798 WeakPolarHBondContact ND1-CB 3.34Å; H773-S798 PolarHBondContact ND1-OG 3.5Å; H773-S798 PolarHBondContact NE2-O 2.03Å; H773-F799 VanDerWaalsContact CA-O 3.29Å; H773-F799 WeakPolarHBondContact CA-O 3.34Å |
| 774 | S | 86 | Confident | 84.6 | Confident | 4 Ų | 4 | 50.5 Ų | 50.5 | 3% | 0.028 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -88.6 | -14.3 | -178.7 | 60.2 | 0 | 0 | 0 | 0 | 113.1 | A758 F799 Q822 | A758-S774 WeakPolarHBondContact CB-O 3.3Å; S774-F799 PolarHBondContact N-O 3.43Å; S774-Q822 PolarHBondContact OG-OE1 2.84Å |
| 775 | I | 83 | Confident | 84.9 | Confident | 22 Ų | 22 | 48.2 Ų | 48.2 | 11% | 0.113 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -141.7 | 132.9 | -179.4 | -55.8 | 171.4 | 0 | 0 | 0 | 108.3 | F754 P756 F778 F799 L801 M863 | F754-I775 HydrophobicContact CE1-CD1 4.36Å; P756-I775 HydrophobicContact CB-CD1 4.26Å; P756-I775 HydrophobicContact CB-CG1 3.96Å; I775-F778 HydrophobicContact CB-CB 4.47Å; I775-F778 HydrophobicContact CD1-CD2 4.05Å; I775-F778 HydrophobicContact CD1-CG 4.41Å; I775-F778 HydrophobicContact CG2-CB 3.98Å; I775-F799 HydrophobicContact CB-CB 4.35Å; I775-F799 PolarHBondContact O-N 3.03Å; I775-L801 HydrophobicContact CD1-CD1 3.54Å; I775-L801 HydrophobicContact CD1-CD2 4.43Å; I775-L801 HydrophobicContact CD1-CG 4.18Å; I775-L801 HydrophobicContact CG1-CD1 4.44Å; I775-M863 HydrophobicContact CD1-CE 3.77Å; I775-M863 HydrophobicContact CD1-SD 3.58Å; I775-M863 VanDerWaalsContact CD1-SD 3.58Å; I775-M863 HydrophobicContact CG1-SD 4.39Å |
| 776 | E | 74.2 | Confident | 85.1 | Confident | 153 Ų | 153 | 44.6 Ų | 44.6 | 72% | 0.715 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -72.2 | -50.7 | 178.3 | -69 | -173.1 | 167.1 | 0 | 0 | 111.8 | S798 | E776-S798 WeakPolarHBondContact O-CA 3.38Å; E776-S798 PolarHBondContact O-N 2.89Å |
| 777 | V | 78.8 | Confident | 85.6 | Confident | 56 Ų | 56 | 49.6 Ų | 49.6 | 34% | 0.339 | 24% | 0.237 | S | C | . | . | trans | -130.8 | 105 | 179 | -172.4 | 0 | 0 | 0 | 0 | 109.8 | H780 | V777-H780 VanDerWaalsContact CG1-CD2 3.44Å; V777-H780 WeakPolarHBondContact CG1-CD2 3.43Å; V777-H780 VanDerWaalsContact CG1-NE2 3.32Å; V777-H780 WeakPolarHBondContact CG1-NE2 3.48Å | ||
| 778 | F | 85.6 | Confident | 86.1 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -103.4 | -25.8 | 177.2 | -178.9 | -127 | 0 | 0 | 0 | 112.7 | L693 I746 F754 I775 F799 L801 V857 N858 P859 M863 | L693-F778 HydrophobicContact CD1-CE2 3.63Å; L693-F778 HydrophobicContact CD1-CZ 3.42Å; L693-F778 VanDerWaalsContact CD1-CZ 3.42Å; I746-F778 HydrophobicContact CG1-CE1 4.28Å; I746-F778 HydrophobicContact CG2-CE1 4.22Å; I746-F778 HydrophobicContact CG2-CZ 4.28Å; F754-F778 HydrophobicContact CD1-CZ 4.38Å; F754-F778 HydrophobicContact CE1-CD2 4.36Å; F754-F778 AromaticContact CE1-CE2 3.45Å; F754-F778 HydrophobicContact CE1-CE2 3.45Å; F754-F778 VanDerWaalsContact CE1-CE2 3.45Å; F754-F778 AromaticContact CE1-CZ 3.7Å; F754-F778 HydrophobicContact CE1-CZ 3.7Å; F754-F778 HydrophobicContact CE2-CE2 4.47Å; F754-F778 HydrophobicContact CZ-CD2 4.35Å; F754-F778 AromaticContact CZ-CE2 3.44Å; F754-F778 HydrophobicContact CZ-CE2 3.44Å; F754-F778 VanDerWaalsContact CZ-CE2 3.44Å; F754-F778 HydrophobicContact CZ-CZ 4.05Å; I775-F778 HydrophobicContact CB-CB 4.47Å; I775-F778 HydrophobicContact CD1-CD2 4.05Å; I775-F778 HydrophobicContact CD1-CG 4.41Å; I775-F778 HydrophobicContact CG2-CB 3.98Å; F778-F799 HydrophobicContact CB-CB 3.97Å; F778-F799 HydrophobicContact CB-CD1 3.82Å; F778-F799 HydrophobicContact CB-CD2 3.38Å; F778-F799 HydrophobicContact CB-CE1 4.13Å; F778-F799 HydrophobicContact CB-CE2 3.64Å; F778-F799 HydrophobicContact CB-CG 3.43Å; F778-F799 VanDerWaalsContact CB-CG 3.43Å; F778-F799 HydrophobicContact CB-CZ 4.02Å; F778-F799 AromaticContact CD1-CD1 3.5Å; F778-F799 HydrophobicContact CD1-CD1 3.5Å; F778-F799 AromaticContact CD1-CE1 3.57Å; F778-F799 HydrophobicContact CD1-CE1 3.57Å; F778-F799 HydrophobicContact CD1-CG 4.04Å; F778-F799 HydrophobicContact CD1-CZ 4.09Å; F778-F799 HydrophobicContact CE1-CD1 4.48Å; F778-F799 HydrophobicContact CG-CD1 4.12Å; F778-F799 HydrophobicContact CG-CD2 4.49Å; F778-F799 HydrophobicContact CG-CE1 4.35Å; F778-F799 HydrophobicContact CG-CG 4.19Å; F778-L801 HydrophobicContact CD1-CD2 4.09Å; F778-L801 HydrophobicContact CE1-CD2 3.78Å; F778-L801 HydrophobicContact CZ-CD2 4.04Å; F778-V857 HydrophobicContact CD1-CG2 4.11Å; F778-V857 HydrophobicContact CD2-CG2 4.18Å; F778-V857 HydrophobicContact CE1-CG2 3.59Å; F778-V857 HydrophobicContact CE2-CG2 3.62Å; F778-V857 HydrophobicContact CG-CG2 4.42Å; F778-V857 HydrophobicContact CZ-CG2 3.34Å; F778-N858 HydrophobicContact CE2-CB 4.3Å; F778-N858 PolarHBondContact O-N 3.38Å; F778-P859 VanDerWaalsContact O-CD 3.24Å; F778-P859 WeakPolarHBondContact O-CD 3.31Å; F778-M863 HydrophobicContact CD2-CE 3.97Å; F778-M863 HydrophobicContact CE2-CE 4.2Å |
| 779 | T | 90.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 138.3 | 176.2 | 67 | 0 | 0 | 0 | 0 | 112.2 | Y781 F799 Q856 V857 | T779-Y781 HydrophobicContact CG2-CE1 4.41Å; T779-Y781 WeakPolarHBondContact OG1-CE1 3.24Å; T779-Y781 PolarHBondContact OG1-OH 3.26Å; T779-Y781 VanDerWaalsContact OG1-OH 3.09Å; T779-F799 HydrophobicContact CG2-CE1 4.12Å; T779-F799 HydrophobicContact CG2-CE2 4.35Å; T779-F799 HydrophobicContact CG2-CZ 3.58Å; T779-F799 WeakPolarHBondContact OG1-CZ 3.08Å; T779-Q856 CarbonylContact C-O 3.6Å; T779-Q856 WeakPolarHBondContact CA-O 3.27Å; T779-Q856 WeakPolarHBondContact CB-O 3.47Å; T779-V857 HydrophobicContact CG2-CB 4.3Å; T779-V857 HydrophobicContact CG2-CG2 4.15Å |
| 780 | H | 92.1 | Very high | 87.8 | Confident | 45 Ų | 45 | 50 Ų | 50 | 21% | 0.208 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 137.7 | 165.7 | -79.6 | -123.3 | 0 | 0 | 0 | 110 | V777 E793 V855 Q856 P859 | V777-H780 VanDerWaalsContact CG1-CD2 3.44Å; V777-H780 WeakPolarHBondContact CG1-CD2 3.43Å; V777-H780 VanDerWaalsContact CG1-NE2 3.32Å; V777-H780 WeakPolarHBondContact CG1-NE2 3.48Å; H780-E793 IonicContact CE1-OE1 3.21Å; H780-E793 PolarHBondContact CE1-OE1 2.68Å; H780-E793 VanDerWaalsContact CE1-OE1 3.31Å; H780-E793 IonicContact ND1-OE1 2.75Å; H780-E793 PolarHBondContact ND1-OE1 3.29Å; H780-V855 WeakPolarHBondContact O-CA 3.07Å; H780-Q856 PolarHBondContact N-O 2.7Å; H780-Q856 PolarHBondContact O-N 2.82Å; H780-P859 WeakPolarHBondContact CD2-CG 3.39Å |
| 781 | Y | 94.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 105 | 174.9 | -49.8 | -37.2 | 0 | 0 | 0 | 108.2 | F742 S744 T779 G794 K796 Q839 V855 | F742-Y781 HydrophobicContact CE1-CD2 4.29Å; F742-Y781 HydrophobicContact CE1-CG 4.34Å; F742-Y781 HydrophobicContact CE2-CD1 4.17Å; F742-Y781 HydrophobicContact CE2-CE1 4.06Å; F742-Y781 HydrophobicContact CE2-CE2 4.5Å; F742-Y781 HydrophobicContact CE2-CG 4.47Å; F742-Y781 AromaticContact CZ-CD1 3.67Å; F742-Y781 HydrophobicContact CZ-CD1 3.67Å; F742-Y781 AromaticContact CZ-CD2 3.63Å; F742-Y781 HydrophobicContact CZ-CD2 3.63Å; F742-Y781 AromaticContact CZ-CE1 3.89Å; F742-Y781 HydrophobicContact CZ-CE1 3.89Å; F742-Y781 AromaticContact CZ-CE2 3.82Å; F742-Y781 HydrophobicContact CZ-CE2 3.82Å; F742-Y781 AromaticContact CZ-CG 3.55Å; F742-Y781 HydrophobicContact CZ-CG 3.55Å; F742-Y781 AromaticContact CZ-CZ 3.95Å; S744-Y781 PolarHBondContact OG-OH 2.89Å; T779-Y781 HydrophobicContact CG2-CE1 4.41Å; T779-Y781 WeakPolarHBondContact OG1-CE1 3.24Å; T779-Y781 PolarHBondContact OG1-OH 3.26Å; T779-Y781 VanDerWaalsContact OG1-OH 3.09Å; Y781-G794 WeakPolarHBondContact CA-O 2.95Å; Y781-G794 WeakPolarHBondContact CB-O 3.26Å; Y781-G794 PolarHBondContact N-O 2.98Å; Y781-G794 PolarHBondContact O-N 2.86Å; Y781-G794 VanDerWaalsContact O-O 3.07Å; Y781-K796 HydrophobicContact CE2-CB 3.76Å; Y781-K796 VanDerWaalsContact CE2-N 3.28Å; Y781-K796 VanDerWaalsContact OH-CB 3.28Å; Y781-K796 WeakPolarHBondContact OH-CB 3.37Å; Y781-Q839 PolarHBondContact OH-NE2 3.4Å; Y781-Q839 PolarHBondContact OH-OE1 2.04Å; Y781-V855 HydrophobicContact CD1-CB 4.41Å; Y781-V855 HydrophobicContact CD1-CG1 3.9Å; Y781-V855 HydrophobicContact CD1-CG2 4.06Å; Y781-V855 HydrophobicContact CE1-CG1 3.82Å |
| 782 | D | 94.8 | Very high | 89 | Confident | 9 Ų | 9 | 42.2 Ų | 42.2 | 5% | 0.048 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 136.1 | -174.1 | -65.9 | -42.1 | 0 | 0 | 0 | 110.5 | L784 K790 Q854 | D782-L784 HydrophobicContact CB-CD2 3.78Å; D782-L784 HydrophobicContact CB-CG 4.17Å; D782-K790 HydrophobicContact CB-CG 4.49Å; D782-K790 VanDerWaalsContact OD1-CD 3.27Å; D782-K790 WeakPolarHBondContact OD1-CD 3.28Å; D782-K790 WeakPolarHBondContact OD1-CE 3.39Å; D782-K790 IonicContact OD1-NZ 3.59Å; D782-K790 PolarHBondContact OD1-NZ 3.13Å; D782-K790 IonicContact OD2-NZ 2.65Å; D782-K790 PolarHBondContact OD2-NZ 3.28Å; D782-Q854 HydrophobicContact CB-CB 4.38Å; D782-Q854 PolarHBondContact N-O 2.88Å; D782-Q854 PolarHBondContact O-N 2.83Å |
| 783 | L | 96.4 | Very high | 89.3 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 118 | 161.2 | -164.1 | 70.1 | 0 | 0 | 0 | 107.4 | V791 A792 V841 I843 V846 Y851 F853 C877 | L783-V791 HydrophobicContact CB-CG2 4.06Å; L783-V791 HydrophobicContact CD2-CG2 4.09Å; L783-V791 HydrophobicContact CG-CG2 3.98Å; L783-V791 WeakPolarHBondContact O-CG2 3.45Å; L783-V791 PolarHBondContact O-N 3.05Å; L783-A792 HydrophobicContact CB-CB 4.09Å; L783-A792 PolarHBondContact N-O 2.87Å; L783-A792 PolarHBondContact O-N 3.4Å; L783-V841 HydrophobicContact CB-CG1 4.48Å; L783-I843 HydrophobicContact CD2-CG2 4.1Å; L783-V846 HydrophobicContact CD2-CG1 3.95Å; L783-V846 HydrophobicContact CD2-CG2 4.32Å; L783-Y851 HydrophobicContact CD1-CG 4.3Å; L783-Y851 HydrophobicContact CD2-CD2 4.31Å; L783-Y851 HydrophobicContact CD2-CG 4.15Å; L783-Y851 HydrophobicContact CG-CD1 4.38Å; L783-Y851 HydrophobicContact CG-CG 4.06Å; L783-F853 HydrophobicContact CD1-CB 4.12Å; L783-F853 HydrophobicContact CD1-CD2 4.29Å; L783-C877 HydrophobicContact CD1-CB 4.15Å |
| 784 | L | 94.7 | Very high | 89.4 | Confident | 17 Ų | 17 | 42.7 Ų | 42.7 | 9% | 0.089 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 150 | -174.7 | -50.4 | 176.9 | 0 | 0 | 0 | 110 | D782 T789 K790 Y851 I852 Q854 | D782-L784 HydrophobicContact CB-CD2 3.78Å; D782-L784 HydrophobicContact CB-CG 4.17Å; L784-T789 CarbonylContact C-O 3.58Å; L784-T789 WeakPolarHBondContact CA-O 3.48Å; L784-K790 HydrophobicContact CD2-CB 3.88Å; L784-K790 HydrophobicContact CD2-CG 4.05Å; L784-Y851 CarbonylContact O-C 3.45Å; L784-Y851 VanDerWaalsContact O-CA 3.22Å; L784-Y851 WeakPolarHBondContact O-CA 3.17Å; L784-Y851 VanDerWaalsContact O-CB 3.29Å; L784-Y851 WeakPolarHBondContact O-CB 3.05Å; L784-Y851 WeakPolarHBondContact O-CD1 3.46Å; L784-I852 HydrophobicContact CB-CB 4.3Å; L784-I852 PolarHBondContact N-O 3.38Å; L784-I852 PolarHBondContact O-N 3.31Å; L784-Q854 HydrophobicContact CD1-CB 4.32Å |
| 785 | T | 91.9 | Very high | 89.2 | Confident | 32 Ų | 32 | 44.5 Ų | 44.5 | 20% | 0.196 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 167.6 | 162 | 68 | 0 | 0 | 0 | 0 | 110.4 | N787 G788 T789 V791 | T785-N787 PolarHBondContact O-N 3.33Å; T785-N787 VanDerWaalsContact O-N 3.09Å; T785-N787 PolarHBondContact OG1-N 3.2Å; T785-G788 PolarHBondContact O-N 3.15Å; T785-T789 VanDerWaalsContact CG2-OG1 3.26Å; T785-T789 WeakPolarHBondContact CG2-OG1 3.37Å; T785-T789 PolarHBondContact N-O 3.34Å; T785-T789 PolarHBondContact OG1-N 3.46Å; T785-T789 PolarHBondContact OG1-OG1 2.79Å; T785-V791 HydrophobicContact CG2-CG1 3.38Å |
| 786 | L | 88.3 | Confident | 89.1 | Confident | 38 Ų | 38 | 43.9 Ų | 43.9 | 20% | 0.199 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -16.3 | 171.1 | -54.9 | -172.6 | 0 | 0 | 0 | 113.4 | G788 I852 R876 | L786-G788 VanDerWaalsContact C-N 3.3Å; L786-I852 HydrophobicContact CD2-CD1 4.47Å; L786-I852 HydrophobicContact CD2-CG1 4.06Å; L786-R876 VanDerWaalsContact CD2-NH1 3.27Å |
| 787 | N | 86.5 | Confident | 88.6 | Confident | 138 Ų | 138 | 36.9 Ų | 36.9 | 74% | 0.738 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 6.3 | 175 | -60.8 | -16.1 | 0 | 0 | 0 | 112.4 | T785 T789 | T785-N787 PolarHBondContact O-N 3.33Å; T785-N787 VanDerWaalsContact O-N 3.09Å; T785-N787 PolarHBondContact OG1-N 3.2Å; N787-T789 VanDerWaalsContact C-N 3.31Å; N787-T789 PolarHBondContact O-N 2.87Å |
| 788 | G | 86.6 | Confident | 88.1 | Confident | 47 Ų | 47 | 35.1 Ų | 35.1 | 49% | 0.485 | 20% | 0.199 | S | C | . | . | S | Bend | trans | 78.5 | 5.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | T785 L786 | T785-G788 PolarHBondContact O-N 3.15Å; L786-G788 VanDerWaalsContact C-N 3.3Å |
| 789 | T | 92.6 | Very high | 87.7 | Confident | 81 Ų | 81 | 35.1 Ų | 35.1 | 50% | 0.497 | 20% | 0.199 | S | C | . | . | trans | -80.5 | 130.4 | 177.7 | 60.4 | 0 | 0 | 0 | 0 | 111.2 | L784 T785 N787 V791 | L784-T789 CarbonylContact C-O 3.58Å; L784-T789 WeakPolarHBondContact CA-O 3.48Å; T785-T789 VanDerWaalsContact CG2-OG1 3.26Å; T785-T789 WeakPolarHBondContact CG2-OG1 3.37Å; T785-T789 PolarHBondContact N-O 3.34Å; T785-T789 PolarHBondContact OG1-N 3.46Å; T785-T789 PolarHBondContact OG1-OG1 2.79Å; N787-T789 VanDerWaalsContact C-N 3.31Å; N787-T789 PolarHBondContact O-N 2.87Å; T789-V791 PolarHBondContact O-N 2.95Å | ||
| 790 | K | 93.6 | Very high | 87.5 | Confident | 92 Ų | 92 | 35.5 Ų | 35.5 | 40% | 0.4 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 123.7 | 179 | -163.7 | -177.9 | -56 | -155.7 | 0 | 111.2 | D782 L784 E793 | D782-K790 HydrophobicContact CB-CG 4.49Å; D782-K790 VanDerWaalsContact OD1-CD 3.27Å; D782-K790 WeakPolarHBondContact OD1-CD 3.28Å; D782-K790 WeakPolarHBondContact OD1-CE 3.39Å; D782-K790 IonicContact OD1-NZ 3.59Å; D782-K790 PolarHBondContact OD1-NZ 3.13Å; D782-K790 IonicContact OD2-NZ 2.65Å; D782-K790 PolarHBondContact OD2-NZ 3.28Å; L784-K790 HydrophobicContact CD2-CB 3.88Å; L784-K790 HydrophobicContact CD2-CG 4.05Å; K790-E793 HydrophobicContact CD-CB 3.8Å; K790-E793 HydrophobicContact CD-CG 4.18Å; K790-E793 WeakPolarHBondContact CD-OE2 3.46Å; K790-E793 IonicContact NZ-OE1 3.2Å; K790-E793 PolarHBondContact NZ-OE1 3.34Å; K790-E793 IonicContact NZ-OE2 2.71Å; K790-E793 PolarHBondContact NZ-OE2 3.06Å |
| 791 | V | 95 | Very high | 87.4 | Confident | 63 Ų | 63 | 33.4 Ų | 33.4 | 38% | 0.382 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | -29 | 177.5 | -65.4 | 0 | 0 | 0 | 0 | 113.2 | L783 T785 T789 Y851 | L783-V791 HydrophobicContact CB-CG2 4.06Å; L783-V791 HydrophobicContact CD2-CG2 4.09Å; L783-V791 HydrophobicContact CG-CG2 3.98Å; L783-V791 WeakPolarHBondContact O-CG2 3.45Å; L783-V791 PolarHBondContact O-N 3.05Å; T785-V791 HydrophobicContact CG2-CG1 3.38Å; T789-V791 PolarHBondContact O-N 2.95Å; V791-Y851 HydrophobicContact CG1-CE1 4.39Å; V791-Y851 HydrophobicContact CG2-CD1 3.78Å; V791-Y851 HydrophobicContact CG2-CE1 3.82Å |
| 792 | A | 94 | Very high | 87.3 | Confident | 11 Ų | 11 | 36 Ų | 36 | 9% | 0.091 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 147.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109 | L783 V841 V846 | L783-A792 HydrophobicContact CB-CB 4.09Å; L783-A792 PolarHBondContact N-O 2.87Å; L783-A792 PolarHBondContact O-N 3.4Å; A792-V841 HydrophobicContact CB-CG1 3.63Å; A792-V846 HydrophobicContact CB-CG2 3.74Å |
| 793 | E | 91.5 | Very high | 87.3 | Confident | 85 Ų | 85 | 35.8 Ų | 35.8 | 40% | 0.397 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 130.9 | 175.8 | -172.4 | 156.1 | -167.2 | 0 | 0 | 107.8 | H780 K790 | H780-E793 IonicContact CE1-OE1 3.21Å; H780-E793 PolarHBondContact CE1-OE1 2.68Å; H780-E793 VanDerWaalsContact CE1-OE1 3.31Å; H780-E793 IonicContact ND1-OE1 2.75Å; H780-E793 PolarHBondContact ND1-OE1 3.29Å; K790-E793 HydrophobicContact CD-CB 3.8Å; K790-E793 HydrophobicContact CD-CG 4.18Å; K790-E793 WeakPolarHBondContact CD-OE2 3.46Å; K790-E793 IonicContact NZ-OE1 3.2Å; K790-E793 PolarHBondContact NZ-OE1 3.34Å; K790-E793 IonicContact NZ-OE2 2.71Å; K790-E793 PolarHBondContact NZ-OE2 3.06Å |
| 794 | G | 87.3 | Confident | 87.2 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 164.7 | 162.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | Y781 | Y781-G794 WeakPolarHBondContact CA-O 2.95Å; Y781-G794 WeakPolarHBondContact CB-O 3.26Å; Y781-G794 PolarHBondContact N-O 2.98Å; Y781-G794 PolarHBondContact O-N 2.86Å; Y781-G794 VanDerWaalsContact O-O 3.07Å |
| 795 | H | 81.4 | Confident | 87.1 | Confident | 43 Ų | 43 | 42.4 Ų | 42.4 | 20% | 0.199 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 152.2 | 168.8 | 55.4 | -79.6 | 0 | 0 | 0 | 106.2 | N721 A797 | N721-H795 PolarHBondContact O-CE1 2.94Å; H795-A797 PolarHBondContact O-N 3.36Å |
| 796 | K | 80.4 | Confident | 87 | Confident | 9 Ų | 9 | 41.4 Ų | 41.4 | 4% | 0.039 | 23% | 0.226 | C | C | . | . | trans | -77.8 | 105.1 | 163.5 | 175 | 72.4 | -174.4 | -170.6 | 0 | 106.4 | Y781 S798 F799 Y832 I836 D837 C838 | Y781-K796 HydrophobicContact CE2-CB 3.76Å; Y781-K796 VanDerWaalsContact CE2-N 3.28Å; Y781-K796 VanDerWaalsContact OH-CB 3.28Å; Y781-K796 WeakPolarHBondContact OH-CB 3.37Å; K796-S798 PolarHBondContact O-N 2.86Å; K796-S798 VanDerWaalsContact O-N 3.09Å; K796-F799 HydrophobicContact CB-CD2 4.37Å; K796-F799 HydrophobicContact CB-CE1 4.33Å; K796-F799 HydrophobicContact CB-CE2 3.42Å; K796-F799 VanDerWaalsContact CB-CE2 3.42Å; K796-F799 HydrophobicContact CB-CZ 3.38Å; K796-F799 HydrophobicContact CG-CD2 4.18Å; K796-F799 HydrophobicContact CG-CE1 4.02Å; K796-F799 HydrophobicContact CG-CE2 3.62Å; K796-F799 HydrophobicContact CG-CZ 3.51Å; K796-F799 WeakPolarHBondContact O-CD2 3.46Å; K796-F799 WeakPolarHBondContact O-CE2 3.18Å; K796-Y832 HydrophobicContact CD-CD1 3.93Å; K796-Y832 HydrophobicContact CD-CE1 4.22Å; K796-Y832 VanDerWaalsContact CE-CD1 3.44Å; K796-Y832 VanDerWaalsContact CE-CE1 3.49Å; K796-Y832 HydrophobicContact CG-CD1 4Å; K796-Y832 HydrophobicContact CG-CE1 4.02Å; K796-I836 VanDerWaalsContact NZ-CG1 3.25Å; K796-D837 PolarHBondContact NZ-O 3.09Å; K796-C838 HydrophobicContact CD-CB 4.13Å | ||
| 797 | A | 64.9 | Low | 87 | Confident | 6 Ų | 6 | 41.5 Ų | 41.5 | 5% | 0.05 | 23% | 0.229 | C | C | . | . | trans | -62.1 | 119.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | E720 C722 H795 C838 | E720-A797 HydrophobicContact CB-CB 3.67Å; E720-A797 HydrophobicContact CG-CB 4.31Å; E720-A797 WeakPolarHBondContact O-CB 3.34Å; C722-A797 WeakPolarHBondContact SG-CB 3.36Å; H795-A797 PolarHBondContact O-N 3.36Å; A797-C838 HydrophobicContact CB-CB 4.46Å | ||
| 798 | S | 66.5 | Low | 86.6 | Confident | 19 Ų | 19 | 42.7 Ų | 42.7 | 13% | 0.133 | 24% | 0.235 | C | C | . | . | S | Bend | trans | 65.7 | 111.3 | 160.4 | 66 | 0 | 0 | 0 | 0 | 114.9 | H773 E776 K796 | H773-S798 PolarHBondContact CD2-O 3.27Å; H773-S798 VanDerWaalsContact CE1-CB 3.48Å; H773-S798 WeakPolarHBondContact CE1-CB 3.47Å; H773-S798 PolarHBondContact CE1-OG 2.77Å; H773-S798 VanDerWaalsContact CG-CB 3.45Å; H773-S798 WeakPolarHBondContact ND1-CB 3.34Å; H773-S798 PolarHBondContact ND1-OG 3.5Å; H773-S798 PolarHBondContact NE2-O 2.03Å; E776-S798 WeakPolarHBondContact O-CA 3.38Å; E776-S798 PolarHBondContact O-N 2.89Å; K796-S798 PolarHBondContact O-N 2.86Å; K796-S798 VanDerWaalsContact O-N 3.09Å |
| 799 | F | 77.6 | Confident | 86.5 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -103.2 | 133.3 | -161.4 | -91.5 | -96.3 | 0 | 0 | 0 | 113.5 | H773 S774 I775 F778 T779 K796 Y832 | H773-F799 VanDerWaalsContact CA-O 3.29Å; H773-F799 WeakPolarHBondContact CA-O 3.34Å; S774-F799 PolarHBondContact N-O 3.43Å; I775-F799 HydrophobicContact CB-CB 4.35Å; I775-F799 PolarHBondContact O-N 3.03Å; F778-F799 HydrophobicContact CB-CB 3.97Å; F778-F799 HydrophobicContact CB-CD1 3.82Å; F778-F799 HydrophobicContact CB-CD2 3.38Å; F778-F799 HydrophobicContact CB-CE1 4.13Å; F778-F799 HydrophobicContact CB-CE2 3.64Å; F778-F799 HydrophobicContact CB-CG 3.43Å; F778-F799 VanDerWaalsContact CB-CG 3.43Å; F778-F799 HydrophobicContact CB-CZ 4.02Å; F778-F799 AromaticContact CD1-CD1 3.5Å; F778-F799 HydrophobicContact CD1-CD1 3.5Å; F778-F799 AromaticContact CD1-CE1 3.57Å; F778-F799 HydrophobicContact CD1-CE1 3.57Å; F778-F799 HydrophobicContact CD1-CG 4.04Å; F778-F799 HydrophobicContact CD1-CZ 4.09Å; F778-F799 HydrophobicContact CE1-CD1 4.48Å; F778-F799 HydrophobicContact CG-CD1 4.12Å; F778-F799 HydrophobicContact CG-CD2 4.49Å; F778-F799 HydrophobicContact CG-CE1 4.35Å; F778-F799 HydrophobicContact CG-CG 4.19Å; T779-F799 HydrophobicContact CG2-CE1 4.12Å; T779-F799 HydrophobicContact CG2-CE2 4.35Å; T779-F799 HydrophobicContact CG2-CZ 3.58Å; T779-F799 WeakPolarHBondContact OG1-CZ 3.08Å; K796-F799 HydrophobicContact CB-CD2 4.37Å; K796-F799 HydrophobicContact CB-CE1 4.33Å; K796-F799 HydrophobicContact CB-CE2 3.42Å; K796-F799 VanDerWaalsContact CB-CE2 3.42Å; K796-F799 HydrophobicContact CB-CZ 3.38Å; K796-F799 HydrophobicContact CG-CD2 4.18Å; K796-F799 HydrophobicContact CG-CE1 4.02Å; K796-F799 HydrophobicContact CG-CE2 3.62Å; K796-F799 HydrophobicContact CG-CZ 3.51Å; K796-F799 WeakPolarHBondContact O-CD2 3.46Å; K796-F799 WeakPolarHBondContact O-CE2 3.18Å; F799-Y832 HydrophobicContact CD1-CE1 4.17Å; F799-Y832 AromaticContact CD1-CE2 3.68Å; F799-Y832 HydrophobicContact CD1-CE2 3.68Å; F799-Y832 AromaticContact CD1-CZ 3.44Å; F799-Y832 VanDerWaalsContact CD1-CZ 3.44Å; F799-Y832 VanDerWaalsContact CD1-OH 3.23Å; F799-Y832 WeakPolarHBondContact CD1-OH 3.01Å; F799-Y832 HydrophobicContact CE1-CD2 4.09Å; F799-Y832 HydrophobicContact CE1-CE1 4.17Å; F799-Y832 AromaticContact CE1-CE2 3.62Å; F799-Y832 HydrophobicContact CE1-CE2 3.62Å; F799-Y832 AromaticContact CE1-CZ 3.66Å |
| 800 | C | 85.8 | Confident | 86.3 | Confident | 8 Ų | 8 | 43.7 Ų | 43.7 | 5% | 0.054 | 24% | 0.244 | C | C | . | . | trans | -93.9 | 121.7 | 161.9 | 150.9 | 0 | 0 | 0 | 0 | 108.8 | H771 C816 Y832 | H771-C800 VanDerWaalsContact NE2-CB 3.26Å; H771-C800 WeakPolarHBondContact NE2-CB 3.31Å; C800-C816 VanDerWaalsContact C-SG 3.56Å; C800-C816 WeakPolarHBondContact CA-SG 3.37Å; C800-C816 HydrophobicContact CB-CB 3.75Å; C800-C816 WeakPolarHBondContact CB-SG 3.29Å; C800-C816 WeakPolarHBondContact SG-CB 3.25Å; C800-C816 CovalentContact SG-SG 1.99Å; C800-C816 PolarHBondContact SG-SG 3.11Å; C800-Y832 WeakPolarHBondContact CA-OH 3.4Å; C800-Y832 PolarHBondContact N-OH 3.15Å; C800-Y832 PolarHBondContact O-OH 2.88Å | ||
| 801 | L | 91 | Very high | 86.1 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -96.3 | 112.7 | 172.2 | -60.5 | 172.9 | 0 | 0 | 0 | 109.6 | F754 P756 I775 F778 Q822 G823 I824 D830 | F754-L801 HydrophobicContact CD1-CD1 3.86Å; F754-L801 HydrophobicContact CD1-CD2 4.45Å; F754-L801 HydrophobicContact CE1-CD1 3.71Å; F754-L801 HydrophobicContact CE1-CD2 4.28Å; P756-L801 HydrophobicContact CB-CD1 4.27Å; P756-L801 HydrophobicContact CG-CD1 4.48Å; I775-L801 HydrophobicContact CD1-CD1 3.54Å; I775-L801 HydrophobicContact CD1-CD2 4.43Å; I775-L801 HydrophobicContact CD1-CG 4.18Å; I775-L801 HydrophobicContact CG1-CD1 4.44Å; F778-L801 HydrophobicContact CD1-CD2 4.09Å; F778-L801 HydrophobicContact CE1-CD2 3.78Å; F778-L801 HydrophobicContact CZ-CD2 4.04Å; L801-Q822 HydrophobicContact CB-CB 4.15Å; L801-Q822 VanDerWaalsContact N-OE1 3.09Å; L801-Q822 CarbonylContact O-C 3.55Å; L801-Q822 VanDerWaalsContact O-CA 3.24Å; L801-Q822 WeakPolarHBondContact O-CA 3.37Å; L801-Q822 WeakPolarHBondContact O-CB 3.02Å; L801-G823 CarbonylContact C-O 3.52Å; L801-G823 VanDerWaalsContact C-O 3.31Å; L801-G823 PolarHBondContact O-N 2.8Å; L801-I824 HydrophobicContact CB-CG1 4.45Å; L801-I824 HydrophobicContact CD2-CD1 4.18Å; L801-I824 HydrophobicContact CD2-CG1 4.36Å; L801-D830 WeakPolarHBondContact CA-OD2 3.47Å | ||
| 802 | E | 92.8 | Very high | 86 | Confident | 56 Ų | 56 | 50 Ų | 50 | 26% | 0.262 | 27% | 0.269 | S | S | . | . | trans | -141.7 | 163.2 | 177.4 | 68 | 172.8 | -159.1 | 0 | 0 | 114.7 | T804 C816 G823 D830 | E802-T804 PolarHBondContact O-N 3.06Å; E802-T804 VanDerWaalsContact O-N 3.1Å; E802-C816 PolarHBondContact OE2-N 2.85Å; E802-G823 WeakPolarHBondContact CA-O 3.4Å; E802-G823 PolarHBondContact N-O 2.96Å; E802-D830 PolarHBondContact N-OD2 3.44Å; E802-D830 VanDerWaalsContact O-CB 3.31Å; E802-D830 WeakPolarHBondContact O-CB 3.44Å | ||
| 803 | D | 95.6 | Very high | 86 | Confident | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | trans | -84.9 | 77.5 | 174.8 | -64.2 | -40.1 | 0 | 0 | 0 | 110.5 | Y805 K812 R813 Y814 S825 C828 | D803-Y805 VanDerWaalsContact C-N 3.29Å; D803-Y805 PolarHBondContact O-N 3.14Å; D803-K812 HydrophobicContact CB-CB 3.85Å; D803-K812 HydrophobicContact CB-CG 3.91Å; D803-K812 WeakPolarHBondContact O-CD 3.11Å; D803-K812 WeakPolarHBondContact O-CE 3.02Å; D803-K812 WeakPolarHBondContact O-CG 3.12Å; D803-K812 PolarHBondContact O-NZ 3.42Å; D803-R813 PolarHBondContact OD2-N 3.47Å; D803-Y814 PolarHBondContact N-O 3.2Å; D803-Y814 VanDerWaalsContact N-O 3.11Å; D803-Y814 PolarHBondContact OD2-N 3.49Å; D803-S825 WeakPolarHBondContact OD1-CB 3.46Å; D803-S825 PolarHBondContact OD1-N 2.85Å; D803-S825 PolarHBondContact OD1-OG 3.43Å; D803-S825 WeakPolarHBondContact OD2-CB 3.47Å; D803-S825 PolarHBondContact OD2-OG 2.89Å; D803-C828 HydrophobicContact CB-CB 4.32Å; D803-C828 WeakPolarHBondContact OD1-CB 3.48Å | ||
| 804 | T | 92.4 | Very high | 86.2 | Confident | 43 Ų | 43 | 53.3 Ų | 53.3 | 26% | 0.264 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -61.4 | -38 | -180 | -46.2 | 0 | 0 | 0 | 0 | 112 | E802 K812 W829 D830 T831 | E802-T804 PolarHBondContact O-N 3.06Å; E802-T804 VanDerWaalsContact O-N 3.1Å; T804-K812 VanDerWaalsContact O-CE 3.26Å; T804-K812 WeakPolarHBondContact O-CE 3.28Å; T804-K812 PolarHBondContact O-NZ 2.87Å; T804-W829 PolarHBondContact N-O 2.64Å; T804-W829 VanDerWaalsContact N-O 3.09Å; T804-D830 WeakPolarHBondContact OG1-CA 3.06Å; T804-D830 PolarHBondContact OG1-OD1 3.04Å; T804-T831 PolarHBondContact OG1-N 2.88Å |
| 805 | Y | 92.8 | Very high | 86.4 | Confident | 115 Ų | 115 | 54.2 Ų | 54.2 | 45% | 0.451 | 28% | 0.283 | S | S | . | . | B | Isolated β-bridge | trans | -147 | 147.3 | 173 | 175.7 | -118.1 | 0 | 0 | 0 | 110.1 | D803 C828 W829 | D803-Y805 VanDerWaalsContact C-N 3.29Å; D803-Y805 PolarHBondContact O-N 3.14Å; Y805-C828 WeakPolarHBondContact O-CA 3.47Å; Y805-C828 WeakPolarHBondContact O-CB 3.43Å; Y805-W829 AromaticContact CD1-CD1 3.49Å; Y805-W829 VanDerWaalsContact CD1-CD1 3.49Å; Y805-W829 AromaticContact CD1-NE1 2.94Å; Y805-W829 HydrophobicContact CE1-CZ2 4.47Å; Y805-W829 AromaticContact CE1-NE1 3.52Å; Y805-W829 AromaticContact CG-CD1 4Å; Y805-W829 AromaticContact CG-NE1 3.79Å; Y805-W829 PolarHBondContact N-O 3.22Å; Y805-W829 VanDerWaalsContact N-O 3.15Å; Y805-W829 PolarHBondContact O-N 3.49Å; Y805-W829 PolarHBondContact O-NE1 2.72Å |
| 806 | C | 91.6 | Very high | 86.7 | Confident | 11 Ų | 11 | 52.3 Ų | 52.3 | 7% | 0.074 | 27% | 0.274 | C | S | . | . | trans | -136.1 | 137.1 | 173.6 | -61.8 | 0 | 0 | 0 | 0 | 107.1 | I810 K812 C828 | C806-I810 HydrophobicContact CB-CB 4.07Å; C806-I810 HydrophobicContact CB-CG2 4.04Å; C806-K812 HydrophobicContact CB-CG 4.4Å; C806-C828 HydrophobicContact CB-CB 4.12Å; C806-C828 WeakPolarHBondContact CB-SG 3.45Å; C806-C828 WeakPolarHBondContact SG-CB 3.12Å; C806-C828 CovalentContact SG-SG 2.04Å; C806-C828 PolarHBondContact SG-SG 2.93Å | ||
| 807 | P | 86.6 | Confident | 86.9 | Confident | 40 Ų | 40 | 59.7 Ų | 59.7 | 26% | 0.26 | 30% | 0.303 | S | S | . | . | trans | -56.8 | 161.4 | 172.7 | -24.2 | 33.8 | 0 | 0 | 0 | 113.3 | G809 I810 G827 W829 | P807-G809 PolarHBondContact O-N 3.11Å; P807-I810 PolarHBondContact O-N 3.2Å; P807-G827 WeakPolarHBondContact CD-O 3.49Å; P807-W829 HydrophobicContact CG-CH2 4.45Å; P807-W829 HydrophobicContact CG-CZ2 3.76Å | ||
| 808 | D | 79.4 | Confident | 88 | Confident | 162 Ų | 162 | 66.5 Ų | 66.5 | 87% | 0.866 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 133.4 | 178.1 | -66.6 | -38.9 | 0 | 0 | 0 | 112 | ||
| 809 | G | 83.9 | Confident | 88.9 | Confident | 79 Ų | 79 | 70.6 Ų | 70.6 | 81% | 0.814 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.4 | -8.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | P807 | P807-G809 PolarHBondContact O-N 3.11Š|
| 810 | I | 88.3 | Confident | 89.3 | Confident | 70 Ų | 70 | 71.6 Ų | 71.6 | 36% | 0.359 | 36% | 0.361 | S | S | . | . | trans | -110.3 | 131.2 | 175.2 | -55.2 | 177.1 | 0 | 0 | 0 | 109.8 | C806 P807 C828 | C806-I810 HydrophobicContact CB-CB 4.07Å; C806-I810 HydrophobicContact CB-CG2 4.04Å; P807-I810 PolarHBondContact O-N 3.2Å; I810-C828 VanDerWaalsContact CG2-SG 3.54Å | ||
| 811 | H | 89.8 | Confident | 89.6 | Confident | 164 Ų | 164 | 77.3 Ų | 77.3 | 76% | 0.759 | 39% | 0.387 | S | S | * | . | trans | -96.3 | 134.1 | 179 | -65.5 | -60 | 0 | 0 | 0 | 111.8 | ||||
| 812 | K | 93.2 | Very high | 89.7 | Confident | 124 Ų | 124 | 77.5 Ų | 77.5 | 54% | 0.539 | 39% | 0.388 | S | S | . | . | trans | -59.8 | 133.1 | 169.4 | -62.1 | 178.4 | 170.4 | -164.7 | 0 | 110.6 | D803 T804 C806 | D803-K812 HydrophobicContact CB-CB 3.85Å; D803-K812 HydrophobicContact CB-CG 3.91Å; D803-K812 WeakPolarHBondContact O-CD 3.11Å; D803-K812 WeakPolarHBondContact O-CE 3.02Å; D803-K812 WeakPolarHBondContact O-CG 3.12Å; D803-K812 PolarHBondContact O-NZ 3.42Å; T804-K812 VanDerWaalsContact O-CE 3.26Å; T804-K812 WeakPolarHBondContact O-CE 3.28Å; T804-K812 PolarHBondContact O-NZ 2.87Å; C806-K812 HydrophobicContact CB-CG 4.4Å | ||
| 813 | R | 94.2 | Very high | 89.8 | Confident | 159 Ų | 159 | 74.9 Ų | 74.9 | 60% | 0.6 | 38% | 0.376 | S | S | * | . | trans | -120.2 | -42.2 | -177.6 | -178.2 | -178.4 | -66.8 | 167.3 | 1.3 | 112.3 | D753 D803 S825 | D753-R813 IonicContact OD1-NH1 2.87Å; D753-R813 IonicContact OD2-CZ 2.68Å; D753-R813 IonicContact OD2-NH1 3.95Å; D753-R813 PolarHBondContact OD2-NH1 3.09Å; D803-R813 PolarHBondContact OD2-N 3.47Å; R813-S825 WeakPolarHBondContact CB-OG 3.05Å | ||
| 814 | Y | 94.5 | Very high | 89.8 | Confident | 6 Ų | 6 | 74.7 Ų | 74.7 | 2% | 0.024 | 38% | 0.375 | C | S | . | . | trans | -97.3 | 141.5 | -174.6 | -59.8 | -71.2 | 0 | 0 | 0 | 111.7 | D753 R755 D803 Q821 G823 S825 | D753-Y814 HydrophobicContact CB-CE2 3.91Å; D753-Y814 WeakPolarHBondContact CB-OH 3.18Å; D753-Y814 WeakPolarHBondContact OD2-CE2 3.09Å; D753-Y814 PolarHBondContact OD2-OH 3.42Å; R755-Y814 PolarHBondContact NE-OH 2.83Å; R755-Y814 PolarHBondContact NH2-OH 2.74Å; D803-Y814 PolarHBondContact N-O 3.2Å; D803-Y814 VanDerWaalsContact N-O 3.11Å; D803-Y814 PolarHBondContact OD2-N 3.49Å; Y814-Q821 WeakPolarHBondContact CA-O 3.49Å; Y814-Q821 HydrophobicContact CD1-CB 4.09Å; Y814-Q821 HydrophobicContact CE1-CB 4.39Å; Y814-G823 WeakPolarHBondContact CB-O 3.24Å; Y814-G823 WeakPolarHBondContact CD2-O 3.39Å; Y814-S825 VanDerWaalsContact CD2-OG 3.31Å; Y814-S825 WeakPolarHBondContact CD2-OG 3.48Å; Y814-S825 WeakPolarHBondContact CE2-OG 3.29Å | ||
| 815 | A | 91.1 | Very high | 89.9 | Confident | 20 Ų | 20 | 72.9 Ų | 72.9 | 17% | 0.165 | 36% | 0.364 | C | S | . | . | trans | -157.3 | 141.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y817 G820 Q821 | A815-Y817 HydrophobicContact CB-CD1 3.72Å; A815-Y817 HydrophobicContact CB-CE1 3.4Å; A815-G820 CarbonylContact O-C 3.55Å; A815-G820 VanDerWaalsContact O-C 3.31Å; A815-G820 VanDerWaalsContact O-CA 3.25Å; A815-G820 WeakPolarHBondContact O-CA 3.42Å; A815-Q821 PolarHBondContact N-O 2.8Å | ||
| 816 | C | 88.2 | Confident | 90 | Very high | 4 Ų | 4 | 69.8 Ų | 69.8 | 3% | 0.027 | 36% | 0.357 | C | S | . | . | trans | -90.9 | -18.3 | -175.5 | -59.8 | 0 | 0 | 0 | 0 | 114.3 | H771 C800 E802 Q822 | H771-C816 HydrophobicContact CB-CB 4.44Å; C800-C816 VanDerWaalsContact C-SG 3.56Å; C800-C816 WeakPolarHBondContact CA-SG 3.37Å; C800-C816 HydrophobicContact CB-CB 3.75Å; C800-C816 WeakPolarHBondContact CB-SG 3.29Å; C800-C816 WeakPolarHBondContact SG-CB 3.25Å; C800-C816 CovalentContact SG-SG 1.99Å; C800-C816 PolarHBondContact SG-SG 3.11Å; E802-C816 PolarHBondContact OE2-N 2.85Å; C816-Q822 VanDerWaalsContact SG-CD 3.56Å | ||
| 817 | Y | 85.6 | Confident | 90 | Very high | 163 Ų | 163 | 69.6 Ų | 69.6 | 64% | 0.639 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -65.8 | 151.9 | 177.1 | 68.1 | -96.9 | 0 | 0 | 0 | 111.1 | A815 W819 G820 | A815-Y817 HydrophobicContact CB-CD1 3.72Å; A815-Y817 HydrophobicContact CB-CE1 3.4Å; Y817-W819 PolarHBondContact O-N 3.12Å; Y817-G820 PolarHBondContact O-N 2.96Å |
| 818 | N | 86.7 | Confident | 90.4 | Very high | 149 Ų | 149 | 67.7 Ų | 67.7 | 80% | 0.797 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | 54.1 | 33.5 | 179.2 | -60.3 | -22.4 | 0 | 0 | 0 | 114.7 | G820 | N818-G820 PolarHBondContact O-N 3.16Š|
| 819 | W | 85.5 | Confident | 91.1 | Very high | 106 Ų | 106 | 62 Ų | 62 | 40% | 0.402 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | 57.4 | 31.9 | -176.9 | -165.2 | 28.6 | 0 | 0 | 0 | 112.1 | R760 W763 Y772 Y817 | R760-W819 HydrophobicContact CG-CZ2 3.77Å; R760-W819 VanDerWaalsContact CG-NE1 3.31Å; R760-W819 VanDerWaalsContact NE-CD2 3.34Å; R760-W819 VanDerWaalsContact NE-CE2 3.26Å; R760-W819 PolarHBondContact NE-O 3.45Å; R760-W819 VanDerWaalsContact NH2-CE3 3.3Å; R760-W819 PolarHBondContact NH2-O 3.05Å; W763-W819 AromaticContact CE3-CD1 3.92Å; W763-W819 AromaticContact CE3-NE1 3.92Å; Y772-W819 HydrophobicContact CD2-CB 4.11Å; Y772-W819 AromaticContact CD2-CD1 3.42Å; Y772-W819 VanDerWaalsContact CD2-CD1 3.42Å; Y772-W819 AromaticContact CD2-CG 3.9Å; Y772-W819 HydrophobicContact CD2-CG 3.9Å; Y772-W819 HydrophobicContact CE2-CB 4.16Å; Y772-W819 AromaticContact CE2-CD1 3.72Å; Y772-W819 HydrophobicContact CE2-CD2 4.45Å; Y772-W819 AromaticContact CE2-CG 3.88Å; Y772-W819 HydrophobicContact CE2-CG 3.88Å; Y772-W819 AromaticContact CG-CD1 3.82Å; Y817-W819 PolarHBondContact O-N 3.12Å |
| 820 | G | 87.1 | Confident | 91.6 | Very high | 20 Ų | 20 | 58.4 Ų | 58.4 | 21% | 0.206 | 27% | 0.273 | C | S | . | . | trans | -60.3 | 166.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | W763 A815 Y817 N818 | W763-G820 VanDerWaalsContact CZ3-O 3.3Å; W763-G820 WeakPolarHBondContact CZ3-O 3.23Å; A815-G820 CarbonylContact O-C 3.55Å; A815-G820 VanDerWaalsContact O-C 3.31Å; A815-G820 VanDerWaalsContact O-CA 3.25Å; A815-G820 WeakPolarHBondContact O-CA 3.42Å; Y817-G820 PolarHBondContact O-N 2.96Å; N818-G820 PolarHBondContact O-N 3.16Å | ||
| 821 | Q | 91.6 | Very high | 91.8 | Very high | 129 Ų | 129 | 56.3 Ų | 56.3 | 60% | 0.603 | 26% | 0.263 | S | S | * | . | trans | -65.5 | 137.7 | 173 | -69.4 | -174.7 | -5 | 0 | 0 | 109.7 | Y814 A815 | Y814-Q821 WeakPolarHBondContact CA-O 3.49Å; Y814-Q821 HydrophobicContact CD1-CB 4.09Å; Y814-Q821 HydrophobicContact CE1-CB 4.39Å; A815-Q821 PolarHBondContact N-O 2.8Å | ||
| 822 | Q | 92.9 | Very high | 91.9 | Very high | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.019 | 23% | 0.23 | C | C | . | . | trans | -109 | 143.4 | -179.3 | -67.6 | -165.5 | 22.8 | 0 | 0 | 111.3 | P756 W763 Y772 S774 L801 C816 | P756-Q822 VanDerWaalsContact CD-O 3.26Å; P756-Q822 WeakPolarHBondContact CD-O 3.24Å; P756-Q822 HydrophobicContact CG-CB 4.49Å; W763-Q822 HydrophobicContact CH2-CB 3.89Å; W763-Q822 HydrophobicContact CH2-CG 3.88Å; W763-Q822 HydrophobicContact CZ2-CB 4.21Å; W763-Q822 HydrophobicContact CZ3-CB 4.43Å; W763-Q822 HydrophobicContact CZ3-CG 3.91Å; Y772-Q822 PolarHBondContact O-NE2 2.83Å; S774-Q822 PolarHBondContact OG-OE1 2.84Å; L801-Q822 HydrophobicContact CB-CB 4.15Å; L801-Q822 VanDerWaalsContact N-OE1 3.09Å; L801-Q822 CarbonylContact O-C 3.55Å; L801-Q822 VanDerWaalsContact O-CA 3.24Å; L801-Q822 WeakPolarHBondContact O-CA 3.37Å; L801-Q822 WeakPolarHBondContact O-CB 3.02Å; C816-Q822 VanDerWaalsContact SG-CD 3.56Å | ||
| 823 | G | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | 163.2 | 176.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | F754 L801 E802 Y814 | F754-G823 CarbonylContact O-C 3.47Å; F754-G823 WeakPolarHBondContact O-CA 3.36Å; L801-G823 CarbonylContact C-O 3.52Å; L801-G823 VanDerWaalsContact C-O 3.31Å; L801-G823 PolarHBondContact O-N 2.8Å; E802-G823 WeakPolarHBondContact CA-O 3.4Å; E802-G823 PolarHBondContact N-O 2.96Å; Y814-G823 WeakPolarHBondContact CB-O 3.24Å; Y814-G823 WeakPolarHBondContact CD2-O 3.39Å | ||
| 824 | I | 95.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -124.8 | 115.6 | 172.8 | -51 | 176.3 | 0 | 0 | 0 | 107.5 | L693 I746 N748 D753 F754 L801 D830 | L693-I824 HydrophobicContact CD2-CD1 4.29Å; I746-I824 HydrophobicContact CG2-CD1 4.21Å; N748-I824 HydrophobicContact CB-CB 4.28Å; N748-I824 HydrophobicContact CB-CG2 3.73Å; N748-I824 PolarHBondContact ND2-O 2.68Å; D753-I824 WeakPolarHBondContact CA-O 3.33Å; F754-I824 HydrophobicContact CB-CB 4.2Å; F754-I824 PolarHBondContact N-O 2.83Å; F754-I824 PolarHBondContact O-N 2.87Å; L801-I824 HydrophobicContact CB-CG1 4.45Å; L801-I824 HydrophobicContact CD2-CD1 4.18Å; L801-I824 HydrophobicContact CD2-CG1 4.36Å; I824-D830 HydrophobicContact CD1-CB 3.71Å; I824-D830 HydrophobicContact CG1-CB 4.09Å |
| 825 | S | 95.9 | Very high | 91.5 | Very high | 5 Ų | 5 | 48.7 Ų | 48.7 | 4% | 0.035 | 23% | 0.233 | C | C | . | . | trans | -66.4 | 151.4 | 179.9 | -62.6 | 0 | 0 | 0 | 0 | 111.2 | D753 D803 R813 Y814 G827 C828 | D753-S825 WeakPolarHBondContact OD1-CA 3.47Å; D803-S825 WeakPolarHBondContact OD1-CB 3.46Å; D803-S825 PolarHBondContact OD1-N 2.85Å; D803-S825 PolarHBondContact OD1-OG 3.43Å; D803-S825 WeakPolarHBondContact OD2-CB 3.47Å; D803-S825 PolarHBondContact OD2-OG 2.89Å; R813-S825 WeakPolarHBondContact CB-OG 3.05Å; Y814-S825 VanDerWaalsContact CD2-OG 3.31Å; Y814-S825 WeakPolarHBondContact CD2-OG 3.48Å; Y814-S825 WeakPolarHBondContact CE2-OG 3.29Å; S825-G827 PolarHBondContact O-N 2.91Å; S825-C828 WeakPolarHBondContact O-CB 3.5Å; S825-C828 PolarHBondContact O-N 2.87Å | ||
| 826 | V | 94.7 | Very high | 91.3 | Very high | 50 Ų | 50 | 50 Ų | 50 | 30% | 0.303 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 128.3 | 174.9 | 177 | 0 | 0 | 0 | 0 | 111 | G750 A752 D753 C828 | G750-V826 VanDerWaalsContact O-CG1 3.24Å; G750-V826 WeakPolarHBondContact O-CG1 3.49Å; A752-V826 WeakPolarHBondContact O-CG2 3.41Å; D753-V826 PolarHBondContact OD1-N 2.8Å; V826-C828 PolarHBondContact O-N 3.48Å |
| 827 | G | 91.7 | Very high | 91.3 | Very high | 7 Ų | 7 | 51.6 Ų | 51.6 | 7% | 0.072 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | -1.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | N748 P807 S825 | N748-G827 WeakPolarHBondContact O-CA 3.37Å; N748-G827 PolarHBondContact O-N 2.95Å; P807-G827 WeakPolarHBondContact CD-O 3.49Å; S825-G827 PolarHBondContact O-N 2.91Å |
| 828 | C | 94.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -96.1 | 172.4 | 173.1 | -59.7 | 0 | 0 | 0 | 0 | 111.3 | N748 D803 Y805 C806 I810 S825 V826 | N748-C828 PolarHBondContact N-O 2.75Å; D803-C828 HydrophobicContact CB-CB 4.32Å; D803-C828 WeakPolarHBondContact OD1-CB 3.48Å; Y805-C828 WeakPolarHBondContact O-CA 3.47Å; Y805-C828 WeakPolarHBondContact O-CB 3.43Å; C806-C828 HydrophobicContact CB-CB 4.12Å; C806-C828 WeakPolarHBondContact CB-SG 3.45Å; C806-C828 WeakPolarHBondContact SG-CB 3.12Å; C806-C828 CovalentContact SG-SG 2.04Å; C806-C828 PolarHBondContact SG-SG 2.93Å; I810-C828 VanDerWaalsContact CG2-SG 3.54Å; S825-C828 WeakPolarHBondContact O-CB 3.5Å; S825-C828 PolarHBondContact O-N 2.87Å; V826-C828 PolarHBondContact O-N 3.48Å | ||
| 829 | W | 93.9 | Very high | 91.8 | Very high | 43 Ų | 43 | 36.8 Ų | 36.8 | 16% | 0.163 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 144.8 | -179.3 | 7.4 | 66.9 | 0 | 0 | 0 | 111.4 | R745 I746 M747 M749 T804 Y805 P807 | R745-W829 HydrophobicContact CG-CB 3.77Å; R745-W829 HydrophobicContact CG-CG 4.38Å; I746-W829 CarbonylContact O-C 3.55Å; I746-W829 WeakPolarHBondContact O-CA 3.47Å; I746-W829 WeakPolarHBondContact O-CB 3.32Å; M747-W829 HydrophobicContact CB-CE3 3.5Å; M747-W829 VanDerWaalsContact CB-CE3 3.5Å; M747-W829 HydrophobicContact CB-CZ3 4.09Å; M747-W829 HydrophobicContact CG-CB 4.23Å; M747-W829 HydrophobicContact CG-CD2 4.11Å; M747-W829 HydrophobicContact CG-CE3 3.24Å; M747-W829 HydrophobicContact CG-CZ3 3.84Å; M747-W829 HydrophobicContact SD-CD2 4.48Å; M747-W829 HydrophobicContact SD-CE3 3.47Å; M747-W829 HydrophobicContact SD-CH2 4.44Å; M747-W829 HydrophobicContact SD-CZ3 3.41Å; M747-W829 WeakPolarHBondContact SD-CZ3 3.49Å; M749-W829 HydrophobicContact CE-CZ3 4.12Å; M749-W829 HydrophobicContact SD-CZ3 4.28Å; T804-W829 PolarHBondContact N-O 2.64Å; T804-W829 VanDerWaalsContact N-O 3.09Å; Y805-W829 AromaticContact CD1-CD1 3.49Å; Y805-W829 VanDerWaalsContact CD1-CD1 3.49Å; Y805-W829 AromaticContact CD1-NE1 2.94Å; Y805-W829 HydrophobicContact CE1-CZ2 4.47Å; Y805-W829 AromaticContact CE1-NE1 3.52Å; Y805-W829 AromaticContact CG-CD1 4Å; Y805-W829 AromaticContact CG-NE1 3.79Å; Y805-W829 PolarHBondContact N-O 3.22Å; Y805-W829 VanDerWaalsContact N-O 3.15Å; Y805-W829 PolarHBondContact O-N 3.49Å; Y805-W829 PolarHBondContact O-NE1 2.72Å; P807-W829 HydrophobicContact CG-CH2 4.45Å; P807-W829 HydrophobicContact CG-CZ2 3.76Å |
| 830 | D | 94.8 | Very high | 92.3 | Very high | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 122.4 | 172.1 | -166.5 | -11.2 | 0 | 0 | 0 | 108.9 | R745 I746 L801 E802 T804 I824 Y832 | R745-D830 WeakPolarHBondContact CA-O 3.49Å; I746-D830 PolarHBondContact N-O 3.16Å; I746-D830 PolarHBondContact O-N 2.87Å; L801-D830 WeakPolarHBondContact CA-OD2 3.47Å; E802-D830 PolarHBondContact N-OD2 3.44Å; E802-D830 VanDerWaalsContact O-CB 3.31Å; E802-D830 WeakPolarHBondContact O-CB 3.44Å; T804-D830 WeakPolarHBondContact OG1-CA 3.06Å; T804-D830 PolarHBondContact OG1-OD1 3.04Å; I824-D830 HydrophobicContact CD1-CB 3.71Å; I824-D830 HydrophobicContact CG1-CB 4.09Å; D830-Y832 WeakPolarHBondContact OD1-CE2 3.41Å; D830-Y832 WeakPolarHBondContact OD2-CE2 3.45Å |
| 831 | T | 92.5 | Very high | 92.8 | Very high | 26 Ų | 26 | 30.8 Ų | 30.8 | 16% | 0.16 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 112.2 | -174 | -56.8 | 0 | 0 | 0 | 0 | 111.3 | L699 R745 T804 R833 | L699-T831 HydrophobicContact CD2-CG2 4.41Å; R745-T831 HydrophobicContact CB-CG2 4.35Å; R745-T831 PolarHBondContact NE-OG1 2.87Å; T804-T831 PolarHBondContact OG1-N 2.88Å; T831-R833 HydrophobicContact CG2-CG 4.37Å |
| 832 | Y | 90.9 | Very high | 93 | Very high | 16 Ų | 16 | 24.8 Ų | 24.8 | 6% | 0.063 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 102.7 | 170.8 | -75.2 | -97 | 0 | 0 | 0 | 109.5 | S743 S744 I746 K796 F799 C800 D830 I836 Q839 | S743-Y832 CarbonylContact C-O 3.58Å; S743-Y832 VanDerWaalsContact CA-O 3.24Å; S743-Y832 WeakPolarHBondContact CA-O 3.38Å; S744-Y832 PolarHBondContact N-O 2.87Å; S744-Y832 PolarHBondContact O-N 2.62Å; I746-Y832 HydrophobicContact CD1-CD2 4.25Å; K796-Y832 HydrophobicContact CD-CD1 3.93Å; K796-Y832 HydrophobicContact CD-CE1 4.22Å; K796-Y832 VanDerWaalsContact CE-CD1 3.44Å; K796-Y832 VanDerWaalsContact CE-CE1 3.49Å; K796-Y832 HydrophobicContact CG-CD1 4Å; K796-Y832 HydrophobicContact CG-CE1 4.02Å; F799-Y832 HydrophobicContact CD1-CE1 4.17Å; F799-Y832 AromaticContact CD1-CE2 3.68Å; F799-Y832 HydrophobicContact CD1-CE2 3.68Å; F799-Y832 AromaticContact CD1-CZ 3.44Å; F799-Y832 VanDerWaalsContact CD1-CZ 3.44Å; F799-Y832 VanDerWaalsContact CD1-OH 3.23Å; F799-Y832 WeakPolarHBondContact CD1-OH 3.01Å; F799-Y832 HydrophobicContact CE1-CD2 4.09Å; F799-Y832 HydrophobicContact CE1-CE1 4.17Å; F799-Y832 AromaticContact CE1-CE2 3.62Å; F799-Y832 HydrophobicContact CE1-CE2 3.62Å; F799-Y832 AromaticContact CE1-CZ 3.66Å; C800-Y832 WeakPolarHBondContact CA-OH 3.4Å; C800-Y832 PolarHBondContact N-OH 3.15Å; C800-Y832 PolarHBondContact O-OH 2.88Å; D830-Y832 WeakPolarHBondContact OD1-CE2 3.41Å; D830-Y832 WeakPolarHBondContact OD2-CE2 3.45Å; Y832-I836 HydrophobicContact CD1-CD1 3.59Å; Y832-I836 HydrophobicContact CG-CD1 4.19Å; Y832-Q839 VanDerWaalsContact CB-OE1 3.31Å |
| 833 | R | 92.1 | Very high | 93.2 | Very high | 141 Ų | 141 | 24.6 Ų | 24.6 | 53% | 0.532 | 12% | 0.119 | S | C | . | . | trans | -73.4 | 150.5 | -176.3 | -59.7 | -167.2 | -49.9 | -107.6 | 1.2 | 112.5 | T831 D835 I836 Q839 | T831-R833 HydrophobicContact CG2-CG 4.37Å; R833-D835 WeakPolarHBondContact CB-OD1 3.33Å; R833-D835 IonicContact CZ-OD1 3.31Å; R833-D835 IonicContact CZ-OD2 2.88Å; R833-D835 IonicContact NE-OD1 2.87Å; R833-D835 PolarHBondContact NE-OD1 2.01Å; R833-D835 IonicContact NE-OD2 3.19Å; R833-D835 IonicContact NH2-OD1 2.62Å; R833-D835 IonicContact NH2-OD2 3.44Å; R833-D835 PolarHBondContact NH2-OD2 3.33Å; R833-D835 PolarHBondContact O-N 3.31Å; R833-I836 WeakPolarHBondContact O-CD1 3.08Å; R833-I836 WeakPolarHBondContact O-CG1 3.5Å; R833-I836 PolarHBondContact O-N 2.91Å; R833-Q839 WeakPolarHBondContact O-CG 3.23Å | ||
| 834 | H | 92.4 | Very high | 93.3 | Very high | 63 Ų | 63 | 27 Ų | 27 | 29% | 0.292 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -22.2 | -178.9 | 60 | 74.9 | 0 | 0 | 0 | 115.6 | Y705 R741 F742 S743 | Y705-H834 HydrophobicContact CE1-CB 3.86Å; Y705-H834 AromaticContact CE1-CG 3.66Å; Y705-H834 AromaticContact CE1-ND1 3.36Å; Y705-H834 WeakPolarHBondContact CE1-ND1 3.49Å; Y705-H834 AromaticContact CZ-ND1 3.71Å; Y705-H834 PolarHBondContact OH-ND1 3.1Å; Y705-H834 VanDerWaalsContact OH-ND1 3.16Å; R741-H834 HydrophobicContact CB-CB 4.46Å; R741-H834 WeakPolarHBondContact CD-O 2.94Å; R741-H834 PolarHBondContact NH1-O 2.84Å; F742-H834 WeakPolarHBondContact O-CA 3.16Å; S743-H834 PolarHBondContact OG-CD2 3.3Å; S743-H834 PolarHBondContact OG-N 3.2Å |
| 835 | D | 89.6 | Confident | 93.2 | Very high | 73 Ų | 73 | 31.7 Ų | 31.7 | 39% | 0.39 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -17.8 | -174.9 | 61.3 | -50.6 | 0 | 0 | 0 | 114.2 | R833 | R833-D835 WeakPolarHBondContact CB-OD1 3.33Å; R833-D835 IonicContact CZ-OD1 3.31Å; R833-D835 IonicContact CZ-OD2 2.88Å; R833-D835 IonicContact NE-OD1 2.87Å; R833-D835 PolarHBondContact NE-OD1 2.01Å; R833-D835 IonicContact NE-OD2 3.19Å; R833-D835 IonicContact NH2-OD1 2.62Å; R833-D835 IonicContact NH2-OD2 3.44Å; R833-D835 PolarHBondContact NH2-OD2 3.33Å; R833-D835 PolarHBondContact O-N 3.31Å |
| 836 | I | 87.5 | Confident | 93.2 | Very high | 46 Ų | 46 | 32.3 Ų | 32.3 | 24% | 0.236 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -77.9 | 159.5 | -177 | 73.3 | -164.5 | 0 | 0 | 0 | 111.8 | R741 K796 Y832 R833 Q839 | R741-I836 PolarHBondContact NH1-O 3.19Å; K796-I836 VanDerWaalsContact NZ-CG1 3.25Å; Y832-I836 HydrophobicContact CD1-CD1 3.59Å; Y832-I836 HydrophobicContact CG-CD1 4.19Å; R833-I836 WeakPolarHBondContact O-CD1 3.08Å; R833-I836 WeakPolarHBondContact O-CG1 3.5Å; R833-I836 PolarHBondContact O-N 2.91Å; I836-Q839 HydrophobicContact CD1-CB 4.16Å; I836-Q839 HydrophobicContact CD1-CG 4.48Å; I836-Q839 HydrophobicContact CG1-CB 3.56Å; I836-Q839 HydrophobicContact CG1-CG 4.32Å |
| 837 | D | 87.9 | Confident | 93.3 | Very high | 39 Ų | 39 | 39.7 Ų | 39.7 | 21% | 0.209 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | 149.3 | 177.4 | -81.4 | -19.2 | 0 | 0 | 0 | 112.2 | R709 K796 Q839 W840 | R709-D837 IonicContact NH2-OD1 3.39Å; K796-D837 PolarHBondContact NZ-O 3.09Å; D837-Q839 PolarHBondContact O-N 2.87Å; D837-Q839 VanDerWaalsContact O-N 3.08Å; D837-W840 HydrophobicContact CB-CH2 4.2Å; D837-W840 HydrophobicContact CB-CZ3 4.37Å |
| 838 | C | 88.9 | Confident | 93.5 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 6.2 | -177.1 | -52 | 0 | 0 | 0 | 0 | 115.7 | E720 C722 K796 A797 W840 | E720-C838 PolarHBondContact OE2-SG 3.38Å; E720-C838 VanDerWaalsContact OE2-SG 3.33Å; C722-C838 HydrophobicContact CB-CB 3.6Å; C722-C838 WeakPolarHBondContact CB-SG 3.26Å; C722-C838 WeakPolarHBondContact SG-CB 3.15Å; C722-C838 CovalentContact SG-SG 2.01Å; C722-C838 PolarHBondContact SG-SG 3.43Å; K796-C838 HydrophobicContact CD-CB 4.13Å; A797-C838 HydrophobicContact CB-CB 4.46Å; C838-W840 PolarHBondContact O-N 3.4Å; C838-W840 VanDerWaalsContact O-N 3.15Å |
| 839 | Q | 93.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -89.9 | 61.9 | 174.5 | -165.7 | 67.7 | 34.2 | 0 | 0 | 110.7 | F742 S744 Y781 Y832 R833 I836 D837 | F742-Q839 WeakPolarHBondContact O-CG 3.49Å; F742-Q839 PolarHBondContact O-NE2 2.82Å; S744-Q839 PolarHBondContact OG-NE2 2.77Å; Y781-Q839 PolarHBondContact OH-NE2 3.4Å; Y781-Q839 PolarHBondContact OH-OE1 2.04Å; Y832-Q839 VanDerWaalsContact CB-OE1 3.31Å; R833-Q839 WeakPolarHBondContact O-CG 3.23Å; I836-Q839 HydrophobicContact CD1-CB 4.16Å; I836-Q839 HydrophobicContact CD1-CG 4.48Å; I836-Q839 HydrophobicContact CG1-CB 3.56Å; I836-Q839 HydrophobicContact CG1-CG 4.32Å; D837-Q839 PolarHBondContact O-N 2.87Å; D837-Q839 VanDerWaalsContact O-N 3.08Å | ||
| 840 | W | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 171 | -179.1 | 57 | 68.9 | 0 | 0 | 0 | 113 | L714 A717 C722 L723 L739 L740 R741 D837 C838 | L714-W840 HydrophobicContact CD2-CH2 3.72Å; L714-W840 HydrophobicContact CD2-CZ2 3.91Å; A717-W840 HydrophobicContact CB-CH2 3.73Å; A717-W840 HydrophobicContact CB-CZ2 3.53Å; C722-W840 HydrophobicContact CB-CZ2 4.35Å; C722-W840 PolarHBondContact O-NE1 2.83Å; L723-W840 HydrophobicContact CD2-CZ2 4.01Å; L739-W840 HydrophobicContact CB-CB 4.1Å; L739-W840 HydrophobicContact CB-CD2 4.43Å; L739-W840 HydrophobicContact CB-CG 4.1Å; L739-W840 HydrophobicContact CD1-CD2 3.87Å; L739-W840 HydrophobicContact CD1-CE3 4Å; L739-W840 HydrophobicContact CD1-CG 4.37Å; L739-W840 HydrophobicContact CD1-CH2 4.25Å; L739-W840 HydrophobicContact CD1-CZ2 4.16Å; L739-W840 HydrophobicContact CD1-CZ3 4.19Å; L739-W840 HydrophobicContact CD2-CD2 4.29Å; L739-W840 HydrophobicContact CD2-CG 4.13Å; L739-W840 HydrophobicContact CG-CD2 4.42Å; L739-W840 HydrophobicContact CG-CG 4.42Å; L740-W840 CarbonylContact O-C 3.5Å; L740-W840 WeakPolarHBondContact O-CA 3.47Å; L740-W840 WeakPolarHBondContact O-CB 3.44Å; R741-W840 HydrophobicContact CG-CB 4.05Å; R741-W840 VanDerWaalsContact CZ-CE3 3.4Å; R741-W840 VanDerWaalsContact NH1-CE3 3.32Å; D837-W840 HydrophobicContact CB-CH2 4.2Å; D837-W840 HydrophobicContact CB-CZ3 4.37Å; C838-W840 PolarHBondContact O-N 3.4Å; C838-W840 VanDerWaalsContact O-N 3.15Å |
| 841 | V | 97.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 128.8 | 154.4 | -179.3 | 0 | 0 | 0 | 0 | 108.3 | L740 L783 A792 I843 F853 | L740-V841 HydrophobicContact CB-CB 4.45Å; L740-V841 PolarHBondContact N-O 3.5Å; L740-V841 PolarHBondContact O-N 2.65Å; L783-V841 HydrophobicContact CB-CG1 4.48Å; A792-V841 HydrophobicContact CB-CG1 3.63Å; V841-I843 HydrophobicContact CB-CG2 4.32Å; V841-I843 HydrophobicContact CG1-CG2 3.98Å; V841-I843 PolarHBondContact O-N 2.83Å; V841-F853 HydrophobicContact CG2-CE2 3.82Å |
| 842 | D | 96.8 | Very high | 93.6 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 109 | 174 | -175.2 | -15.3 | 0 | 0 | 0 | 109.4 | S724 R737 L739 T844 | S724-D842 PolarHBondContact N-OD2 3.18Å; R737-D842 IonicContact CZ-OD1 2.97Å; R737-D842 IonicContact CZ-OD2 2.97Å; R737-D842 IonicContact NE-OD1 3.77Å; R737-D842 PolarHBondContact NE-OD1 2.76Å; R737-D842 IonicContact NE-OD2 3.04Å; R737-D842 PolarHBondContact NE-OD2 3.34Å; R737-D842 IonicContact NH2-OD1 2.93Å; R737-D842 PolarHBondContact NH2-OD1 3.17Å; R737-D842 VanDerWaalsContact NH2-OD1 3.08Å; R737-D842 IonicContact NH2-OD2 3.48Å; R737-D842 PolarHBondContact NH2-OD2 2.74Å; L739-D842 HydrophobicContact CD2-CB 4.1Å; D842-T844 VanDerWaalsContact OD1-CB 3.3Å; D842-T844 WeakPolarHBondContact OD1-CB 3.36Å; D842-T844 PolarHBondContact OD1-N 3.38Å; D842-T844 VanDerWaalsContact OD1-N 3.1Å; D842-T844 PolarHBondContact OD1-OG1 3.03Å |
| 843 | I | 96.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | trans | -107 | 17.8 | -174.7 | 65.5 | 161.6 | 0 | 0 | 0 | 112.5 | L706 R738 L740 L783 V841 D845 V846 Y879 | L706-I843 HydrophobicContact CD2-CD1 3.47Å; L706-I843 VanDerWaalsContact CD2-CD1 3.47Å; L706-I843 HydrophobicContact CD2-CG1 4.46Å; R738-I843 HydrophobicContact CB-CG1 4.27Å; R738-I843 HydrophobicContact CG-CD1 4.04Å; R738-I843 HydrophobicContact CG-CG1 3.76Å; R738-I843 WeakPolarHBondContact O-CG1 3.34Å; R738-I843 PolarHBondContact O-N 2.99Å; L740-I843 HydrophobicContact CB-CD1 4.35Å; L740-I843 HydrophobicContact CB-CG1 4.48Å; L740-I843 HydrophobicContact CB-CG2 4.02Å; L783-I843 HydrophobicContact CD2-CG2 4.1Å; V841-I843 HydrophobicContact CB-CG2 4.32Å; V841-I843 HydrophobicContact CG1-CG2 3.98Å; V841-I843 PolarHBondContact O-N 2.83Å; I843-D845 PolarHBondContact O-N 2.74Å; I843-V846 HydrophobicContact CB-CB 4.06Å; I843-V846 HydrophobicContact CB-CG2 3.91Å; I843-V846 HydrophobicContact CG2-CG2 4.22Å; I843-V846 WeakPolarHBondContact O-CB 3.23Å; I843-V846 PolarHBondContact O-N 2.7Å; I843-Y879 HydrophobicContact CD1-CD2 4.34Å; I843-Y879 HydrophobicContact CD1-CE1 4.38Å; I843-Y879 HydrophobicContact CD1-CE2 4Å | ||
| 844 | T | 95.4 | Very high | 94.1 | Very high | 50 Ų | 50 | 38.7 Ų | 38.7 | 31% | 0.307 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -37.9 | -178.1 | -54.1 | 0 | 0 | 0 | 0 | 112.5 | R737 R738 D842 | R737-T844 WeakPolarHBondContact CA-OG1 3.46Å; R737-T844 VanDerWaalsContact CZ-CB 3.47Å; R737-T844 VanDerWaalsContact CZ-OG1 3.3Å; R737-T844 PolarHBondContact NE-OG1 2.9Å; R737-T844 PolarHBondContact NH2-OG1 3.37Å; R738-T844 PolarHBondContact N-OG1 3.49Å; R738-T844 PolarHBondContact O-N 3.08Å; D842-T844 VanDerWaalsContact OD1-CB 3.3Å; D842-T844 WeakPolarHBondContact OD1-CB 3.36Å; D842-T844 PolarHBondContact OD1-N 3.38Å; D842-T844 VanDerWaalsContact OD1-N 3.1Å; D842-T844 PolarHBondContact OD1-OG1 3.03Å |
| 845 | D | 94.2 | Very high | 94.2 | Very high | 98 Ų | 98 | 35.7 Ų | 35.7 | 52% | 0.524 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -0.4 | -177.5 | -52.9 | -52.3 | 0 | 0 | 0 | 113.3 | S724 S726 R737 I843 | S724-D845 PolarHBondContact OG-OD2 3.5Å; S726-D845 VanDerWaalsContact CB-OD2 3.23Å; S726-D845 WeakPolarHBondContact CB-OD2 3.22Å; S726-D845 PolarHBondContact OG-OD1 2.98Å; S726-D845 PolarHBondContact OG-OD2 3.27Å; R737-D845 IonicContact NH2-OD2 2.84Å; I843-D845 PolarHBondContact O-N 2.74Å |
| 846 | V | 96.1 | Very high | 94.5 | Very high | 18 Ų | 18 | 34.7 Ų | 34.7 | 11% | 0.109 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -86.6 | 132 | -176.2 | -177 | 0 | 0 | 0 | 0 | 109.2 | L783 A792 I843 Y851 Y879 | L783-V846 HydrophobicContact CD2-CG1 3.95Å; L783-V846 HydrophobicContact CD2-CG2 4.32Å; A792-V846 HydrophobicContact CB-CG2 3.74Å; I843-V846 HydrophobicContact CB-CB 4.06Å; I843-V846 HydrophobicContact CB-CG2 3.91Å; I843-V846 HydrophobicContact CG2-CG2 4.22Å; I843-V846 WeakPolarHBondContact O-CB 3.23Å; I843-V846 PolarHBondContact O-N 2.7Å; V846-Y851 HydrophobicContact CG1-CE1 4.33Å; V846-Y851 HydrophobicContact CG1-CE2 3.95Å; V846-Y879 HydrophobicContact CG1-CD1 4.43Å; V846-Y879 WeakPolarHBondContact O-CE1 3.48Å |
| 847 | R | 96.3 | Very high | 94.7 | Very high | 206 Ų | 206 | 32.5 Ų | 32.5 | 78% | 0.777 | 17% | 0.165 | S | C | * | . | P | Polyproline II helix | trans | -79.4 | 157.8 | 176.4 | -65.3 | -176.4 | -175.4 | 172.2 | 2 | 110.7 | Y851 Y879 | R847-Y851 WeakPolarHBondContact O-CE2 3.47Å; R847-Y851 PolarHBondContact O-OH 3.2Å; R847-Y879 WeakPolarHBondContact O-CD1 3.38Å |
| 848 | P | 96.9 | Very high | 94.9 | Very high | 80 Ų | 80 | 30.8 Ų | 30.8 | 52% | 0.519 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -56.6 | 139.9 | 167.9 | -25.2 | 35.8 | 0 | 0 | 0 | 111.5 | Y879 | P848-Y879 CarbonylContact C-O 3.56Å; P848-Y879 WeakPolarHBondContact CA-O 3.24Å; P848-Y879 WeakPolarHBondContact CB-O 3.45Å |
| 849 | G | 94.6 | Very high | 94.9 | Very high | 26 Ų | 26 | 32.1 Ų | 32.1 | 27% | 0.268 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.9 | -172.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y879 | G849-Y879 PolarHBondContact N-O 3.09Å; G849-Y879 PolarHBondContact O-N 3.47Å |
| 850 | E | 94 | Very high | 94.5 | Very high | 59 Ų | 59 | 35.5 Ų | 35.5 | 28% | 0.276 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 135.5 | 173.1 | -65.4 | -177.9 | 147.4 | 0 | 0 | 109.3 | C877 R907 | E850-C877 WeakPolarHBondContact CA-O 3.41Å; E850-R907 VanDerWaalsContact OE2-CD 3.24Å; E850-R907 WeakPolarHBondContact OE2-CD 3.5Å; E850-R907 IonicContact OE2-CZ 2.92Å; E850-R907 IonicContact OE2-NE 2.99Å; E850-R907 IonicContact OE2-NH1 2.96Å; E850-R907 PolarHBondContact OE2-NH1 3.16Å |
| 851 | Y | 95.1 | Very high | 94 | Very high | 25 Ų | 25 | 38 Ų | 38 | 10% | 0.098 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 166.3 | -170 | -60.2 | -73.9 | 0 | 0 | 0 | 109.9 | L783 L784 V791 V846 R847 C877 | L783-Y851 HydrophobicContact CD1-CG 4.3Å; L783-Y851 HydrophobicContact CD2-CD2 4.31Å; L783-Y851 HydrophobicContact CD2-CG 4.15Å; L783-Y851 HydrophobicContact CG-CD1 4.38Å; L783-Y851 HydrophobicContact CG-CG 4.06Å; L784-Y851 CarbonylContact O-C 3.45Å; L784-Y851 VanDerWaalsContact O-CA 3.22Å; L784-Y851 WeakPolarHBondContact O-CA 3.17Å; L784-Y851 VanDerWaalsContact O-CB 3.29Å; L784-Y851 WeakPolarHBondContact O-CB 3.05Å; L784-Y851 WeakPolarHBondContact O-CD1 3.46Å; V791-Y851 HydrophobicContact CG1-CE1 4.39Å; V791-Y851 HydrophobicContact CG2-CD1 3.78Å; V791-Y851 HydrophobicContact CG2-CE1 3.82Å; V846-Y851 HydrophobicContact CG1-CE1 4.33Å; V846-Y851 HydrophobicContact CG1-CE2 3.95Å; R847-Y851 WeakPolarHBondContact O-CE2 3.47Å; R847-Y851 PolarHBondContact O-OH 3.2Å; Y851-C877 PolarHBondContact N-O 3.25Å; Y851-C877 PolarHBondContact O-N 3.46Å |
| 852 | I | 95 | Very high | 93.2 | Very high | 7 Ų | 7 | 41.8 Ų | 41.8 | 4% | 0.036 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 123.4 | 164.8 | -61.7 | 167.6 | 0 | 0 | 0 | 106.3 | L784 L786 R874 C875 F903 D904 | L784-I852 HydrophobicContact CB-CB 4.3Å; L784-I852 PolarHBondContact N-O 3.38Å; L784-I852 PolarHBondContact O-N 3.31Å; L786-I852 HydrophobicContact CD2-CD1 4.47Å; L786-I852 HydrophobicContact CD2-CG1 4.06Å; I852-R874 HydrophobicContact CG2-CB 4.37Å; I852-R874 HydrophobicContact CG2-CG 4.42Å; I852-C875 WeakPolarHBondContact CA-O 3.45Å; I852-F903 HydrophobicContact CD1-CE1 4.48Å; I852-F903 HydrophobicContact CG1-CE1 4.42Å; I852-F903 HydrophobicContact CG2-CE1 4.35Å; I852-D904 VanDerWaalsContact CD1-OD1 3.23Å; I852-D904 WeakPolarHBondContact CD1-OD1 3.25Å |
| 853 | F | 96.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 130.6 | 171.1 | 176.1 | -109.4 | 0 | 0 | 0 | 108.6 | V700 L740 F742 L783 V841 V855 M873 R874 C875 C877 L886 | V700-F853 HydrophobicContact CG1-CD1 4.39Å; V700-F853 HydrophobicContact CG1-CE1 3.7Å; L740-F853 HydrophobicContact CD2-CD2 4.05Å; L740-F853 HydrophobicContact CD2-CE2 4.21Å; F742-F853 HydrophobicContact CD1-CE1 4.37Å; F742-F853 HydrophobicContact CD1-CE2 4.38Å; F742-F853 AromaticContact CD1-CZ 3.67Å; F742-F853 HydrophobicContact CD1-CZ 3.67Å; F742-F853 HydrophobicContact CD2-CE1 4.47Å; F742-F853 HydrophobicContact CD2-CZ 4.22Å; F742-F853 HydrophobicContact CE1-CE1 4.47Å; F742-F853 HydrophobicContact CE1-CE2 4Å; F742-F853 AromaticContact CE1-CZ 3.45Å; F742-F853 HydrophobicContact CE1-CZ 3.45Å; F742-F853 VanDerWaalsContact CE1-CZ 3.45Å; F742-F853 HydrophobicContact CE2-CZ 4Å; F742-F853 HydrophobicContact CG-CE1 4.39Å; F742-F853 HydrophobicContact CG-CZ 4.08Å; F742-F853 HydrophobicContact CZ-CE2 4.41Å; F742-F853 AromaticContact CZ-CZ 3.63Å; F742-F853 HydrophobicContact CZ-CZ 3.63Å; L783-F853 HydrophobicContact CD1-CB 4.12Å; L783-F853 HydrophobicContact CD1-CD2 4.29Å; V841-F853 HydrophobicContact CG2-CE2 3.82Å; F853-V855 HydrophobicContact CE1-CG2 3.67Å; F853-V855 HydrophobicContact CZ-CG2 3.69Å; F853-M873 HydrophobicContact CE1-CE 4.37Å; F853-R874 CarbonylContact O-C 3.52Å; F853-R874 WeakPolarHBondContact O-CA 3.24Å; F853-C875 HydrophobicContact CB-CB 4.3Å; F853-C875 HydrophobicContact CD1-CB 4.41Å; F853-C875 PolarHBondContact N-O 3.08Å; F853-C875 PolarHBondContact O-N 3.1Å; F853-C877 HydrophobicContact CB-CB 4.02Å; F853-L886 HydrophobicContact CB-CD2 3.83Å; F853-L886 HydrophobicContact CD1-CD1 3.74Å; F853-L886 HydrophobicContact CD1-CD2 4.27Å; F853-L886 HydrophobicContact CE1-CD1 4.13Å; F853-L886 HydrophobicContact CG-CD1 4.37Å; F853-L886 HydrophobicContact CG-CD2 4.19Å |
| 854 | Q | 95.9 | Very high | 92.7 | Very high | 18 Ų | 18 | 43 Ų | 43 | 8% | 0.084 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 135.7 | -174.8 | -175.3 | 178 | -86.5 | 0 | 0 | 110.6 | D782 L784 V872 M873 R874 | D782-Q854 HydrophobicContact CB-CB 4.38Å; D782-Q854 PolarHBondContact N-O 2.88Å; D782-Q854 PolarHBondContact O-N 2.83Å; L784-Q854 HydrophobicContact CD1-CB 4.32Å; Q854-V872 HydrophobicContact CG-CG1 3.66Å; Q854-M873 CarbonylContact C-O 3.46Å; Q854-M873 VanDerWaalsContact CA-O 3.29Å; Q854-M873 WeakPolarHBondContact CA-O 3.47Å; Q854-R874 HydrophobicContact CG-CG 4.18Å; Q854-R874 VanDerWaalsContact OE1-NE 3.07Å |
| 855 | V | 95.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 125.9 | 167.7 | 179.2 | 0 | 0 | 0 | 0 | 107.7 | V695 F742 H780 Y781 F853 V872 M873 | V695-V855 HydrophobicContact CG1-CG1 4.26Å; V695-V855 HydrophobicContact CG2-CG1 4.23Å; F742-V855 HydrophobicContact CE2-CG2 3.97Å; F742-V855 HydrophobicContact CZ-CG2 4.35Å; H780-V855 WeakPolarHBondContact O-CA 3.07Å; Y781-V855 HydrophobicContact CD1-CB 4.41Å; Y781-V855 HydrophobicContact CD1-CG1 3.9Å; Y781-V855 HydrophobicContact CD1-CG2 4.06Å; Y781-V855 HydrophobicContact CE1-CG1 3.82Å; F853-V855 HydrophobicContact CE1-CG2 3.67Å; F853-V855 HydrophobicContact CZ-CG2 3.69Å; V855-V872 WeakPolarHBondContact O-CA 3.49Å; V855-M873 HydrophobicContact CB-CE 3.9Å; V855-M873 HydrophobicContact CG2-CE 3.62Å; V855-M873 PolarHBondContact N-O 2.88Å; V855-M873 PolarHBondContact O-N 2.88Å |
| 856 | Q | 94.2 | Very high | 92.5 | Very high | 52 Ų | 52 | 37 Ų | 37 | 24% | 0.243 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 126.6 | 175.7 | -178.5 | 172.5 | 16.3 | 0 | 0 | 109.6 | T779 H780 P859 N871 V872 | T779-Q856 CarbonylContact C-O 3.6Å; T779-Q856 WeakPolarHBondContact CA-O 3.27Å; T779-Q856 WeakPolarHBondContact CB-O 3.47Å; H780-Q856 PolarHBondContact N-O 2.7Å; H780-Q856 PolarHBondContact O-N 2.82Å; Q856-P859 HydrophobicContact CG-CB 3.85Å; Q856-N871 WeakPolarHBondContact CA-O 2.94Å; Q856-V872 HydrophobicContact CB-CG2 4.24Å; Q856-V872 HydrophobicContact CG-CG2 3.82Å |
| 857 | V | 93.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 147 | 172.8 | 68.5 | 0 | 0 | 0 | 0 | 111 | L693 V695 I746 F778 T779 N871 | L693-V857 HydrophobicContact CB-CG1 3.98Å; L693-V857 HydrophobicContact CB-CG2 4.43Å; L693-V857 HydrophobicContact CD1-CG2 4.01Å; V695-V857 HydrophobicContact CG2-CB 4.22Å; V695-V857 HydrophobicContact CG2-CG1 4.12Å; I746-V857 HydrophobicContact CG1-CG2 4.27Å; I746-V857 HydrophobicContact CG2-CG2 4.01Å; F778-V857 HydrophobicContact CD1-CG2 4.11Å; F778-V857 HydrophobicContact CD2-CG2 4.18Å; F778-V857 HydrophobicContact CE1-CG2 3.59Å; F778-V857 HydrophobicContact CE2-CG2 3.62Å; F778-V857 HydrophobicContact CG-CG2 4.42Å; F778-V857 HydrophobicContact CZ-CG2 3.34Å; T779-V857 HydrophobicContact CG2-CB 4.3Å; T779-V857 HydrophobicContact CG2-CG2 4.15Å; V857-N871 HydrophobicContact CG1-CB 3.85Å; V857-N871 WeakPolarHBondContact CG1-O 3.41Å; V857-N871 PolarHBondContact N-O 3.25Å; V857-N871 WeakPolarHBondContact O-CB 3.25Å; V857-N871 PolarHBondContact O-ND2 2.84Å; V857-N871 VanDerWaalsContact O-ND2 3.1Å |
| 858 | N | 91.3 | Very high | 91.9 | Very high | 3 Ų | 3 | 28.7 Ų | 28.7 | 2% | 0.016 | 17% | 0.167 | C | C | . | . | S | Bend | trans | 46.4 | 51.9 | -175 | -172.7 | 24.7 | 0 | 0 | 0 | 113.7 | F778 S860 L861 M863 E865 | F778-N858 HydrophobicContact CE2-CB 4.3Å; F778-N858 PolarHBondContact O-N 3.38Å; N858-S860 VanDerWaalsContact C-N 3.28Å; N858-S860 PolarHBondContact O-N 2.91Å; N858-L861 PolarHBondContact O-N 3.05Å; N858-L861 VanDerWaalsContact O-N 3.13Å; N858-M863 PolarHBondContact ND2-O 2.8Å; N858-M863 WeakPolarHBondContact OD1-CE 3.44Å; N858-E865 VanDerWaalsContact CB-OE1 3.31Å; N858-E865 WeakPolarHBondContact CB-OE1 2.9Å; N858-E865 PolarHBondContact ND2-OE1 2.92Å |
| 859 | P | 89.2 | Confident | 91.6 | Very high | 28 Ų | 28 | 29.6 Ų | 29.6 | 18% | 0.182 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -27.3 | -170.8 | 21.1 | -27.3 | 0 | 0 | 0 | 113.9 | F778 H780 Q856 L861 | F778-P859 VanDerWaalsContact O-CD 3.24Å; F778-P859 WeakPolarHBondContact O-CD 3.31Å; H780-P859 WeakPolarHBondContact CD2-CG 3.39Å; Q856-P859 HydrophobicContact CG-CB 3.85Å; P859-L861 VanDerWaalsContact C-N 3.25Å; P859-L861 PolarHBondContact O-N 2.83Å |
| 860 | S | 84.9 | Confident | 91.4 | Very high | 71 Ų | 71 | 28.7 Ų | 28.7 | 50% | 0.497 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -12.1 | 178.4 | -50.6 | 0 | 0 | 0 | 0 | 113.5 | N858 D862 | N858-S860 VanDerWaalsContact C-N 3.28Å; N858-S860 PolarHBondContact O-N 2.91Å; S860-D862 WeakPolarHBondContact CB-OD2 3.34Å; S860-D862 PolarHBondContact O-N 2.68Å |
| 861 | L | 85.6 | Confident | 91.4 | Very high | 52 Ų | 52 | 26 Ų | 26 | 27% | 0.272 | 14% | 0.141 | S | C | . | . | trans | 51.9 | 41.7 | -174.4 | -54.6 | 176.3 | 0 | 0 | 0 | 112.2 | L614 N858 P859 F868 | L614-L861 VanDerWaalsContact CD1-O 3.24Å; L614-L861 WeakPolarHBondContact CD1-O 3.4Å; N858-L861 PolarHBondContact O-N 3.05Å; N858-L861 VanDerWaalsContact O-N 3.13Å; P859-L861 VanDerWaalsContact C-N 3.25Å; P859-L861 PolarHBondContact O-N 2.83Å; L861-F868 HydrophobicContact CD2-CB 4.12Å; L861-F868 HydrophobicContact CD2-CD1 3.45Å; L861-F868 VanDerWaalsContact CD2-CD1 3.45Å; L861-F868 HydrophobicContact CD2-CE1 3.92Å; L861-F868 HydrophobicContact CD2-CG 3.86Å | ||
| 862 | D | 79.7 | Confident | 91.3 | Very high | 80 Ų | 80 | 26 Ų | 26 | 43% | 0.428 | 14% | 0.142 | S | C | . | . | trans | -95.7 | -12.1 | -179.2 | -81.1 | -44.8 | 0 | 0 | 0 | 113 | R757 S860 | R757-D862 IonicContact NH1-OD1 2.83Å; R757-D862 PolarHBondContact NH1-OD1 2.92Å; S860-D862 WeakPolarHBondContact CB-OD2 3.34Å; S860-D862 PolarHBondContact O-N 2.68Å | ||
| 863 | M | 89.8 | Confident | 91.3 | Very high | 17 Ų | 17 | 25.7 Ų | 25.7 | 8% | 0.084 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -120.9 | 135 | 178.4 | -65.6 | 166.6 | -69.1 | 0 | 0 | 109.2 | L614 F754 R757 I775 F778 N858 F868 | L614-M863 WeakPolarHBondContact CD1-O 3.32Å; F754-M863 HydrophobicContact CE1-CE 4.34Å; F754-M863 HydrophobicContact CE1-SD 3.9Å; F754-M863 HydrophobicContact CE2-CB 3.67Å; F754-M863 HydrophobicContact CE2-CE 4.49Å; F754-M863 HydrophobicContact CE2-CG 4.46Å; F754-M863 HydrophobicContact CE2-SD 4.17Å; F754-M863 HydrophobicContact CZ-CB 3.82Å; F754-M863 HydrophobicContact CZ-CE 3.57Å; F754-M863 HydrophobicContact CZ-CG 4.16Å; F754-M863 HydrophobicContact CZ-SD 3.34Å; F754-M863 WeakPolarHBondContact CZ-SD 3.45Å; R757-M863 HydrophobicContact CB-CG 4.21Å; I775-M863 HydrophobicContact CD1-CE 3.77Å; I775-M863 HydrophobicContact CD1-SD 3.58Å; I775-M863 VanDerWaalsContact CD1-SD 3.58Å; I775-M863 HydrophobicContact CG1-SD 4.39Å; F778-M863 HydrophobicContact CD2-CE 3.97Å; F778-M863 HydrophobicContact CE2-CE 4.2Å; N858-M863 PolarHBondContact ND2-O 2.8Å; N858-M863 WeakPolarHBondContact OD1-CE 3.44Å; M863-F868 WeakPolarHBondContact O-CE1 3.5Å |
| 864 | A | 92.9 | Very high | 91.2 | Very high | 14 Ų | 14 | 29 Ų | 29 | 12% | 0.116 | 15% | 0.154 | C | C | . | . | trans | -71.2 | 137.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L614 M618 A629 S630 P691 | L614-A864 HydrophobicContact CD1-CB 4.31Å; L614-A864 HydrophobicContact CD2-CB 4.46Å; M618-A864 HydrophobicContact CE-CB 4.29Å; A629-A864 WeakPolarHBondContact O-CB 3Å; S630-A864 WeakPolarHBondContact O-CB 2.95Å; P691-A864 VanDerWaalsContact CD-O 3.28Å; P691-A864 WeakPolarHBondContact CD-O 3.28Å; P691-A864 WeakPolarHBondContact CG-O 3.21Å | ||
| 865 | E | 94 | Very high | 91.1 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | trans | -139.2 | 159.6 | 173.7 | -57.9 | -176.9 | -117.4 | 0 | 0 | 110.3 | M618 P691 L693 N858 D867 F868 N871 | M618-E865 WeakPolarHBondContact CE-O 3.15Å; P691-E865 HydrophobicContact CG-CG 4.47Å; P691-E865 CarbonylContact O-C 3.55Å; P691-E865 WeakPolarHBondContact O-CA 3.39Å; P691-E865 WeakPolarHBondContact O-CB 3.32Å; L693-E865 WeakPolarHBondContact CA-OE2 3.29Å; L693-E865 WeakPolarHBondContact CB-OE2 3.45Å; L693-E865 VanDerWaalsContact CG-OE2 3.24Å; L693-E865 WeakPolarHBondContact CG-OE2 3.47Å; L693-E865 PolarHBondContact N-OE2 2.02Å; N858-E865 VanDerWaalsContact CB-OE1 3.31Å; N858-E865 WeakPolarHBondContact CB-OE1 2.9Å; N858-E865 PolarHBondContact ND2-OE1 2.92Å; E865-D867 WeakPolarHBondContact CB-O 2.99Å; E865-F868 HydrophobicContact CB-CD1 3.9Å; E865-F868 HydrophobicContact CB-CE1 3.57Å; E865-F868 HydrophobicContact CB-CZ 4.04Å; E865-F868 HydrophobicContact CG-CD1 4.21Å; E865-F868 HydrophobicContact CG-CE1 3.77Å; E865-N871 PolarHBondContact OE1-ND2 2.82Å | ||
| 866 | S | 92.4 | Very high | 91 | Very high | 21 Ų | 21 | 28.7 Ų | 28.7 | 15% | 0.147 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -79.5 | -23.2 | 176.8 | 57.1 | 0 | 0 | 0 | 0 | 113.4 | P691 D692 | P691-S866 PolarHBondContact O-N 3.41Å; P691-S866 PolarHBondContact O-OG 3.22Å; D692-S866 WeakPolarHBondContact CB-OG 3.48Å |
| 867 | D | 89.8 | Confident | 91.1 | Very high | 13 Ų | 13 | 26.3 Ų | 26.3 | 7% | 0.07 | 14% | 0.141 | C | C | . | . | trans | -142 | 139.4 | 172.9 | -166.9 | -3.7 | 0 | 0 | 0 | 108.1 | K470 E865 Q869 N870 N871 | K470-D867 VanDerWaalsContact CD-OD2 3.29Å; K470-D867 WeakPolarHBondContact CD-OD2 3.15Å; K470-D867 WeakPolarHBondContact CE-OD2 2.93Å; K470-D867 IonicContact NZ-OD1 3.52Å; K470-D867 PolarHBondContact NZ-OD1 2.71Å; K470-D867 IonicContact NZ-OD2 3.16Å; K470-D867 PolarHBondContact NZ-OD2 2.9Å; E865-D867 WeakPolarHBondContact CB-O 2.99Å; D867-Q869 WeakPolarHBondContact OD1-CB 3.22Å; D867-Q869 PolarHBondContact OD1-N 3.26Å; D867-N870 PolarHBondContact O-OD1 3.39Å; D867-N871 PolarHBondContact O-OD1 3.09Å | ||
| 868 | F | 89.9 | Confident | 91.2 | Very high | 36 Ų | 36 | 30.2 Ų | 30.2 | 16% | 0.158 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -116 | -9.5 | 176.4 | -64.6 | -70.8 | 0 | 0 | 0 | 111.7 | L614 M618 L861 M863 E865 N870 N871 | L614-F868 HydrophobicContact CB-CZ 4.42Å; L614-F868 HydrophobicContact CD1-CZ 4.34Å; M618-F868 HydrophobicContact CE-CE2 4.06Å; M618-F868 HydrophobicContact CE-CZ 4.24Å; M618-F868 HydrophobicContact CG-CE2 4.44Å; L861-F868 HydrophobicContact CD2-CB 4.12Å; L861-F868 HydrophobicContact CD2-CD1 3.45Å; L861-F868 VanDerWaalsContact CD2-CD1 3.45Å; L861-F868 HydrophobicContact CD2-CE1 3.92Å; L861-F868 HydrophobicContact CD2-CG 3.86Å; M863-F868 WeakPolarHBondContact O-CE1 3.5Å; E865-F868 HydrophobicContact CB-CD1 3.9Å; E865-F868 HydrophobicContact CB-CE1 3.57Å; E865-F868 HydrophobicContact CB-CZ 4.04Å; E865-F868 HydrophobicContact CG-CD1 4.21Å; E865-F868 HydrophobicContact CG-CE1 3.77Å; F868-N870 VanDerWaalsContact C-N 3.3Å; F868-N871 WeakPolarHBondContact CA-OD1 3.46Å; F868-N871 WeakPolarHBondContact O-CB 3.07Å; F868-N871 PolarHBondContact O-N 2.82Å |
| 869 | Q | 88.8 | Confident | 91.4 | Very high | 98 Ų | 98 | 30.7 Ų | 30.7 | 46% | 0.458 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -22.7 | -174.2 | -62.9 | -179.7 | -15.7 | 0 | 0 | 112 | D867 D893 | D867-Q869 WeakPolarHBondContact OD1-CB 3.22Å; D867-Q869 PolarHBondContact OD1-N 3.26Å; Q869-D893 HydrophobicContact CB-CB 4.03Å |
| 870 | N | 91.8 | Very high | 91.6 | Very high | 8 Ų | 8 | 32.5 Ų | 32.5 | 4% | 0.043 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -0 | 177.3 | 58 | -13.7 | 0 | 0 | 0 | 113.5 | D692 V694 D867 F868 V872 | D692-N870 PolarHBondContact OD1-ND2 3.46Å; D692-N870 PolarHBondContact OD1-OD1 2.8Å; V694-N870 HydrophobicContact CG2-CB 4.37Å; V694-N870 VanDerWaalsContact CG2-ND2 3.28Å; V694-N870 WeakPolarHBondContact CG2-ND2 3.38Å; D867-N870 PolarHBondContact O-OD1 3.39Å; F868-N870 VanDerWaalsContact C-N 3.3Å; N870-V872 PolarHBondContact O-N 3.43Å |
| 871 | N | 93.5 | Very high | 92 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.016 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -69.7 | -15.9 | 177.5 | -74.2 | 36.3 | 0 | 0 | 0 | 114 | L693 Q856 V857 E865 D867 F868 | L693-N871 PolarHBondContact O-OD1 3.3Å; Q856-N871 WeakPolarHBondContact CA-O 2.94Å; V857-N871 HydrophobicContact CG1-CB 3.85Å; V857-N871 WeakPolarHBondContact CG1-O 3.41Å; V857-N871 PolarHBondContact N-O 3.25Å; V857-N871 WeakPolarHBondContact O-CB 3.25Å; V857-N871 PolarHBondContact O-ND2 2.84Å; V857-N871 VanDerWaalsContact O-ND2 3.1Å; E865-N871 PolarHBondContact OE1-ND2 2.82Å; D867-N871 PolarHBondContact O-OD1 3.09Å; F868-N871 WeakPolarHBondContact CA-OD1 3.46Å; F868-N871 WeakPolarHBondContact O-CB 3.07Å; F868-N871 PolarHBondContact O-N 2.82Å |
| 872 | V | 93.9 | Very high | 92.3 | Very high | 23 Ų | 23 | 31.1 Ų | 31.1 | 14% | 0.139 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 132.2 | -177.8 | -177.7 | 0 | 0 | 0 | 0 | 108.9 | Q854 V855 Q856 N870 R874 A891 A892 | Q854-V872 HydrophobicContact CG-CG1 3.66Å; V855-V872 WeakPolarHBondContact O-CA 3.49Å; Q856-V872 HydrophobicContact CB-CG2 4.24Å; Q856-V872 HydrophobicContact CG-CG2 3.82Å; N870-V872 PolarHBondContact O-N 3.43Å; V872-R874 HydrophobicContact CG1-CG 4.2Å; V872-A891 CarbonylContact O-C 3.54Å; V872-A891 WeakPolarHBondContact O-CA 3.36Å; V872-A892 HydrophobicContact CB-CB 3.79Å; V872-A892 HydrophobicContact CG1-CB 3.93Å; V872-A892 WeakPolarHBondContact O-CB 3.46Å; V872-A892 PolarHBondContact O-N 3.17Å |
| 873 | M | 94.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 137.3 | 170.5 | -179.8 | -73.4 | -71.1 | 0 | 0 | 109.1 | V695 A697 V700 F853 Q854 V855 C875 C889 H890 | V695-M873 HydrophobicContact CB-CB 4.1Å; V695-M873 HydrophobicContact CG1-CB 4.25Å; V695-M873 HydrophobicContact CG1-CE 4.48Å; A697-M873 HydrophobicContact CB-CG 3.51Å; A697-M873 HydrophobicContact CB-SD 4.29Å; V700-M873 HydrophobicContact CB-CE 3.69Å; V700-M873 HydrophobicContact CG1-CE 3.43Å; V700-M873 VanDerWaalsContact CG1-CE 3.43Å; V700-M873 HydrophobicContact CG2-CE 3.74Å; F853-M873 HydrophobicContact CE1-CE 4.37Å; Q854-M873 CarbonylContact C-O 3.46Å; Q854-M873 VanDerWaalsContact CA-O 3.29Å; Q854-M873 WeakPolarHBondContact CA-O 3.47Å; V855-M873 HydrophobicContact CB-CE 3.9Å; V855-M873 HydrophobicContact CG2-CE 3.62Å; V855-M873 PolarHBondContact N-O 2.88Å; V855-M873 PolarHBondContact O-N 2.88Å; M873-C875 PolarHBondContact SD-SG 3.26Å; M873-C889 HydrophobicContact SD-CB 4.21Å; M873-H890 CarbonylContact C-O 2.98Å; M873-H890 VanDerWaalsContact CA-O 3.3Å; M873-H890 WeakPolarHBondContact CA-O 3.29Å; M873-H890 WeakPolarHBondContact CG-O 3.4Å |
| 874 | R | 94.6 | Very high | 93.1 | Very high | 71 Ų | 71 | 33.3 Ų | 33.3 | 27% | 0.268 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 144.6 | -179.8 | -67.5 | -180 | 174 | 172.9 | -0.3 | 111.6 | I852 F853 Q854 V872 C889 H890 F903 | I852-R874 HydrophobicContact CG2-CB 4.37Å; I852-R874 HydrophobicContact CG2-CG 4.42Å; F853-R874 CarbonylContact O-C 3.52Å; F853-R874 WeakPolarHBondContact O-CA 3.24Å; Q854-R874 HydrophobicContact CG-CG 4.18Å; Q854-R874 VanDerWaalsContact OE1-NE 3.07Å; V872-R874 HydrophobicContact CG1-CG 4.2Å; R874-C889 CarbonylContact O-C 3.55Å; R874-C889 VanDerWaalsContact O-CA 3.25Å; R874-C889 WeakPolarHBondContact O-CA 3.39Å; R874-H890 PolarHBondContact N-O 3Å; R874-H890 PolarHBondContact O-N 3.05Å; R874-F903 HydrophobicContact CB-CE1 4.39Å; R874-F903 HydrophobicContact CB-CZ 4.28Å |
| 875 | C | 94.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 146.4 | 173.3 | -54.6 | 0 | 0 | 0 | 0 | 110.3 | I852 F853 M873 L886 C889 | I852-C875 WeakPolarHBondContact CA-O 3.45Å; F853-C875 HydrophobicContact CB-CB 4.3Å; F853-C875 HydrophobicContact CD1-CB 4.41Å; F853-C875 PolarHBondContact N-O 3.08Å; F853-C875 PolarHBondContact O-N 3.1Å; M873-C875 PolarHBondContact SD-SG 3.26Å; C875-L886 HydrophobicContact CB-CB 4.43Å; C875-L886 HydrophobicContact CB-CD2 4.36Å; C875-C889 HydrophobicContact CB-CB 4.12Å; C875-C889 WeakPolarHBondContact CB-SG 3.43Å; C875-C889 VanDerWaalsContact SG-CA 3.6Å; C875-C889 WeakPolarHBondContact SG-CB 3.49Å; C875-C889 CovalentContact SG-SG 2.02Å; C875-C889 PolarHBondContact SG-SG 2.84Å |
| 876 | R | 93.3 | Very high | 93.1 | Very high | 10 Ų | 10 | 38.1 Ų | 38.1 | 4% | 0.038 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 137.1 | 160.1 | -65.5 | -65 | -67.7 | -167.6 | 1.9 | 108.5 | L786 L886 F887 F903 D904 | L786-R876 VanDerWaalsContact CD2-NH1 3.27Å; R876-L886 WeakPolarHBondContact O-CA 3.32Å; R876-F887 HydrophobicContact CB-CD1 3.95Å; R876-F887 HydrophobicContact CB-CD2 3.9Å; R876-F887 HydrophobicContact CB-CE1 3.6Å; R876-F887 HydrophobicContact CB-CE2 3.52Å; R876-F887 HydrophobicContact CB-CG 4.07Å; R876-F887 HydrophobicContact CB-CZ 3.36Å; R876-F887 WeakPolarHBondContact CB-O 3.22Å; R876-F887 HydrophobicContact CG-CD2 4.41Å; R876-F887 HydrophobicContact CG-CE2 3.91Å; R876-F887 HydrophobicContact CG-CZ 4.11Å; R876-F887 PolarHBondContact N-O 3.35Å; R876-F887 WeakPolarHBondContact O-CD1 3.3Å; R876-F887 PolarHBondContact O-N 3.35Å; R876-F903 HydrophobicContact CB-CE2 4.42Å; R876-F903 HydrophobicContact CG-CD2 3.92Å; R876-F903 HydrophobicContact CG-CE2 3.43Å; R876-F903 VanDerWaalsContact CG-CE2 3.43Å; R876-F903 HydrophobicContact CG-CZ 3.91Å; R876-F903 PolarHBondContact NH1-O 2.95Å; R876-D904 PolarHBondContact NH1-O 2.61Å |
| 877 | C | 95 | Very high | 93 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.014 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 122.3 | 179.5 | 177.7 | 0 | 0 | 0 | 0 | 110.1 | L783 E850 Y851 F853 I884 Y885 L886 | L783-C877 HydrophobicContact CD1-CB 4.15Å; E850-C877 WeakPolarHBondContact CA-O 3.41Å; Y851-C877 PolarHBondContact N-O 3.25Å; Y851-C877 PolarHBondContact O-N 3.46Å; F853-C877 HydrophobicContact CB-CB 4.02Å; C877-I884 WeakPolarHBondContact SG-CD1 3.44Å; C877-Y885 WeakPolarHBondContact CA-O 3.46Å; C877-L886 HydrophobicContact CB-CD2 3.6Å |
| 878 | K | 95.3 | Very high | 93 | Very high | 83 Ų | 83 | 45.1 Ų | 45.1 | 36% | 0.361 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 118.2 | 173.8 | -177.4 | 177 | -179.5 | 177.7 | 0 | 109.1 | I884 Y885 F887 | K878-I884 CarbonylContact O-C 3.58Å; K878-I884 WeakPolarHBondContact O-CA 3.28Å; K878-Y885 HydrophobicContact CB-CD2 4.48Å; K878-Y885 PolarHBondContact N-O 3.37Å; K878-Y885 PolarHBondContact O-N 3.27Å; K878-F887 HydrophobicContact CB-CE1 4.11Å |
| 879 | Y | 96.5 | Very high | 93 | Very high | 12 Ų | 12 | 44.4 Ų | 44.4 | 5% | 0.047 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 117.1 | -179.3 | 175.3 | -131.9 | 0 | 0 | 0 | 110 | L706 R738 I843 V846 R847 P848 G849 R883 I884 | L706-Y879 HydrophobicContact CD1-CD2 4.19Å; L706-Y879 HydrophobicContact CD1-CE2 3.8Å; R738-Y879 VanDerWaalsContact CD-OH 3.24Å; R738-Y879 WeakPolarHBondContact CD-OH 3.49Å; R738-Y879 PolarHBondContact NH1-OH 2.93Å; I843-Y879 HydrophobicContact CD1-CD2 4.34Å; I843-Y879 HydrophobicContact CD1-CE1 4.38Å; I843-Y879 HydrophobicContact CD1-CE2 4Å; V846-Y879 HydrophobicContact CG1-CD1 4.43Å; V846-Y879 WeakPolarHBondContact O-CE1 3.48Å; R847-Y879 WeakPolarHBondContact O-CD1 3.38Å; P848-Y879 CarbonylContact C-O 3.56Å; P848-Y879 WeakPolarHBondContact CA-O 3.24Å; P848-Y879 WeakPolarHBondContact CB-O 3.45Å; G849-Y879 PolarHBondContact N-O 3.09Å; G849-Y879 PolarHBondContact O-N 3.47Å; Y879-R883 WeakPolarHBondContact CD2-O 3.39Å; Y879-I884 HydrophobicContact CD2-CB 4.42Å; Y879-I884 HydrophobicContact CD2-CG1 4.48Å |
| 880 | D | 94.2 | Very high | 93.1 | Very high | 66 Ų | 66 | 40.2 Ų | 40.2 | 35% | 0.353 | 20% | 0.198 | S | C | . | . | trans | -96.3 | 1.5 | -177.9 | 73.6 | 10.2 | 0 | 0 | 0 | 113.5 | A882 R883 | D880-A882 VanDerWaalsContact C-N 3.34Å; D880-A882 WeakPolarHBondContact OD1-CA 3.29Å; D880-A882 PolarHBondContact OD1-N 2.85Å; D880-R883 PolarHBondContact N-O 2.97Å; D880-R883 PolarHBondContact OD1-N 3Å; D880-R883 IonicContact OD2-CZ 3.68Å; D880-R883 IonicContact OD2-NE 3.56Å; D880-R883 PolarHBondContact OD2-NE 3.21Å; D880-R883 VanDerWaalsContact OD2-NE 3.16Å; D880-R883 IonicContact OD2-NH2 2.85Å; D880-R883 PolarHBondContact OD2-NH2 3.27Å | ||
| 881 | G | 91.4 | Very high | 93.1 | Very high | 23 Ų | 23 | 40.3 Ų | 40.3 | 24% | 0.237 | 20% | 0.201 | C | C | . | . | S | Bend | trans | 90.4 | -11.6 | -175 | 0 | 0 | 0 | 0 | 0 | 114.6 | R738 | R738-G881 PolarHBondContact NH1-O 2.89Š|
| 882 | A | 91.9 | Very high | 92.7 | Very high | 72 Ų | 72 | 41.4 Ų | 41.4 | 60% | 0.595 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -125.1 | -29.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D880 | D880-A882 VanDerWaalsContact C-N 3.34Å; D880-A882 WeakPolarHBondContact OD1-CA 3.29Å; D880-A882 PolarHBondContact OD1-N 2.85Å |
| 883 | R | 92.1 | Very high | 92.4 | Very high | 122 Ų | 122 | 41.3 Ų | 41.3 | 46% | 0.46 | 21% | 0.209 | S | C | . | . | trans | -137.5 | 158.1 | -177.4 | -65.2 | 171.6 | -64.2 | -178.1 | 3.1 | 109.6 | Y879 D880 Y885 | Y879-R883 WeakPolarHBondContact CD2-O 3.39Å; D880-R883 PolarHBondContact N-O 2.97Å; D880-R883 PolarHBondContact OD1-N 3Å; D880-R883 IonicContact OD2-CZ 3.68Å; D880-R883 IonicContact OD2-NE 3.56Å; D880-R883 PolarHBondContact OD2-NE 3.21Å; D880-R883 VanDerWaalsContact OD2-NE 3.16Å; D880-R883 IonicContact OD2-NH2 2.85Å; D880-R883 PolarHBondContact OD2-NH2 3.27Å; R883-Y885 HydrophobicContact CB-CE2 4.11Å; R883-Y885 WeakPolarHBondContact CD-OH 3.1Å; R883-Y885 PolarHBondContact NE-OH 3.36Å; R883-Y885 PolarHBondContact NH1-OH 2.83Å | ||
| 884 | I | 94 | Very high | 92.1 | Very high | 20 Ų | 20 | 42 Ų | 42 | 10% | 0.103 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 144 | 175 | -156.2 | 171.3 | 0 | 0 | 0 | 109.3 | L706 L740 C877 K878 Y879 | L706-I884 HydrophobicContact CD1-CB 4.09Å; L706-I884 HydrophobicContact CD1-CG2 4.34Å; L706-I884 HydrophobicContact CD2-CB 3.98Å; L706-I884 HydrophobicContact CD2-CD1 4.27Å; L706-I884 HydrophobicContact CD2-CG2 3.74Å; L706-I884 HydrophobicContact CG-CB 3.94Å; L706-I884 HydrophobicContact CG-CG2 3.66Å; L740-I884 HydrophobicContact CB-CD1 4.46Å; L740-I884 HydrophobicContact CD1-CD1 3.59Å; L740-I884 HydrophobicContact CD1-CG2 3.8Å; L740-I884 HydrophobicContact CD2-CD1 3.58Å; L740-I884 HydrophobicContact CG-CD1 4.05Å; C877-I884 WeakPolarHBondContact SG-CD1 3.44Å; K878-I884 CarbonylContact O-C 3.58Å; K878-I884 WeakPolarHBondContact O-CA 3.28Å; Y879-I884 HydrophobicContact CD2-CB 4.42Å; Y879-I884 HydrophobicContact CD2-CG1 4.48Å |
| 885 | Y | 93 | Very high | 91.8 | Very high | 97 Ų | 97 | 42 Ų | 42 | 38% | 0.38 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 120.1 | 176.7 | -55.8 | -87.2 | 0 | 0 | 0 | 108.5 | C877 K878 R883 | C877-Y885 WeakPolarHBondContact CA-O 3.46Å; K878-Y885 HydrophobicContact CB-CD2 4.48Å; K878-Y885 PolarHBondContact N-O 3.37Å; K878-Y885 PolarHBondContact O-N 3.27Å; R883-Y885 HydrophobicContact CB-CE2 4.11Å; R883-Y885 WeakPolarHBondContact CD-OH 3.1Å; R883-Y885 PolarHBondContact NE-OH 3.36Å; R883-Y885 PolarHBondContact NH1-OH 2.83Å |
| 886 | L | 94.2 | Very high | 91.3 | Very high | 19 Ų | 19 | 42.5 Ų | 42.5 | 10% | 0.099 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 131.7 | 166.3 | -63.1 | -170.1 | 0 | 0 | 0 | 109.1 | V700 Q701 A704 F853 C875 R876 C877 | V700-L886 HydrophobicContact CG1-CD1 4.45Å; Q701-L886 HydrophobicContact CG-CB 4.49Å; Q701-L886 WeakPolarHBondContact CG-O 3.38Å; A704-L886 HydrophobicContact CB-CB 4.49Å; A704-L886 HydrophobicContact CB-CD1 3.45Å; A704-L886 VanDerWaalsContact CB-CD1 3.45Å; A704-L886 HydrophobicContact CB-CG 3.95Å; F853-L886 HydrophobicContact CB-CD2 3.83Å; F853-L886 HydrophobicContact CD1-CD1 3.74Å; F853-L886 HydrophobicContact CD1-CD2 4.27Å; F853-L886 HydrophobicContact CE1-CD1 4.13Å; F853-L886 HydrophobicContact CG-CD1 4.37Å; F853-L886 HydrophobicContact CG-CD2 4.19Å; C875-L886 HydrophobicContact CB-CB 4.43Å; C875-L886 HydrophobicContact CB-CD2 4.36Å; R876-L886 WeakPolarHBondContact O-CA 3.32Å; C877-L886 HydrophobicContact CB-CD2 3.6Å |
| 887 | F | 91.4 | Very high | 90.6 | Very high | 68 Ų | 68 | 45.9 Ų | 45.9 | 30% | 0.298 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 156.8 | -177.5 | 59.7 | -75.4 | 0 | 0 | 0 | 111.3 | R876 K878 C889 | R876-F887 HydrophobicContact CB-CD1 3.95Å; R876-F887 HydrophobicContact CB-CD2 3.9Å; R876-F887 HydrophobicContact CB-CE1 3.6Å; R876-F887 HydrophobicContact CB-CE2 3.52Å; R876-F887 HydrophobicContact CB-CG 4.07Å; R876-F887 HydrophobicContact CB-CZ 3.36Å; R876-F887 WeakPolarHBondContact CB-O 3.22Å; R876-F887 HydrophobicContact CG-CD2 4.41Å; R876-F887 HydrophobicContact CG-CE2 3.91Å; R876-F887 HydrophobicContact CG-CZ 4.11Å; R876-F887 PolarHBondContact N-O 3.35Å; R876-F887 WeakPolarHBondContact O-CD1 3.3Å; R876-F887 PolarHBondContact O-N 3.35Å; K878-F887 HydrophobicContact CB-CE1 4.11Å; F887-C889 VanDerWaalsContact C-N 3.29Å; F887-C889 PolarHBondContact O-N 3.1Å |
| 888 | H | 89.3 | Confident | 89.8 | Confident | 114 Ų | 114 | 51.4 Ų | 51.4 | 53% | 0.528 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 53.2 | 44 | -171.4 | -55.2 | 108.4 | 0 | 0 | 0 | 112.5 | Q701 H890 F903 | Q701-H888 VanDerWaalsContact OE1-N 3.09Å; H888-H890 PolarHBondContact O-CE1 3.07Å; H888-H890 PolarHBondContact O-ND1 3.09Å; H888-F903 HydrophobicContact CB-CD2 4.44Å; H888-F903 HydrophobicContact CB-CE2 4.19Å |
| 889 | C | 91 | Very high | 89 | Confident | 21 Ų | 21 | 51 Ų | 51 | 14% | 0.142 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 132.1 | 174.6 | -64.6 | 0 | 0 | 0 | 0 | 111.5 | A697 Q701 M873 R874 C875 F887 | A697-C889 HydrophobicContact CB-CB 4.18Å; A697-C889 WeakPolarHBondContact O-CB 3.35Å; Q701-C889 HydrophobicContact CB-CB 3.97Å; Q701-C889 VanDerWaalsContact CB-SG 3.52Å; Q701-C889 HydrophobicContact CG-CB 4.36Å; M873-C889 HydrophobicContact SD-CB 4.21Å; R874-C889 CarbonylContact O-C 3.55Å; R874-C889 VanDerWaalsContact O-CA 3.25Å; R874-C889 WeakPolarHBondContact O-CA 3.39Å; C875-C889 HydrophobicContact CB-CB 4.12Å; C875-C889 WeakPolarHBondContact CB-SG 3.43Å; C875-C889 VanDerWaalsContact SG-CA 3.6Å; C875-C889 WeakPolarHBondContact SG-CB 3.49Å; C875-C889 CovalentContact SG-SG 2.02Å; C875-C889 PolarHBondContact SG-SG 2.84Å; F887-C889 VanDerWaalsContact C-N 3.29Å; F887-C889 PolarHBondContact O-N 3.1Å |
| 890 | H | 91.1 | Very high | 88.2 | Confident | 9 Ų | 9 | 51.4 Ų | 51.4 | 4% | 0.042 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 160.3 | 180 | 57.5 | -79.8 | 0 | 0 | 0 | 111.9 | M873 R874 H888 A894 Y895 E900 F903 | M873-H890 CarbonylContact C-O 2.98Å; M873-H890 VanDerWaalsContact CA-O 3.3Å; M873-H890 WeakPolarHBondContact CA-O 3.29Å; M873-H890 WeakPolarHBondContact CG-O 3.4Å; R874-H890 PolarHBondContact N-O 3Å; R874-H890 PolarHBondContact O-N 3.05Å; H888-H890 PolarHBondContact O-CE1 3.07Å; H888-H890 PolarHBondContact O-ND1 3.09Å; H890-A894 HydrophobicContact CB-CB 4.44Å; H890-Y895 HydrophobicContact CB-CD2 4.32Å; H890-Y895 HydrophobicContact CB-CE2 3.66Å; H890-Y895 AromaticContact CD2-CD2 3.38Å; H890-Y895 WeakPolarHBondContact CD2-CD2 3.25Å; H890-Y895 AromaticContact CD2-CE2 3.55Å; H890-Y895 AromaticContact CG-CD2 3.78Å; H890-Y895 AromaticContact CG-CE2 3.41Å; H890-Y895 VanDerWaalsContact CG-CE2 3.41Å; H890-Y895 AromaticContact ND1-CE2 3.82Å; H890-Y895 AromaticContact NE2-CD2 3.75Å; H890-E900 IonicContact CD2-OE1 3.49Å; H890-E900 PolarHBondContact CD2-OE1 2.84Å; H890-E900 VanDerWaalsContact CD2-OE1 3.29Å; H890-E900 IonicContact NE2-OE1 3.05Å; H890-E900 PolarHBondContact NE2-OE1 3Å; H890-E900 IonicContact NE2-OE2 3.95Å; H890-E900 PolarHBondContact NE2-OE2 3.02Å; H890-F903 AromaticContact CE1-CD2 3.67Å; H890-F903 AromaticContact CE1-CE2 3.48Å; H890-F903 VanDerWaalsContact CE1-CE2 3.48Å; H890-F903 WeakPolarHBondContact CE1-CE2 3.32Å; H890-F903 AromaticContact CE1-CZ 3.87Å |
| 891 | A | 90.9 | Very high | 87.4 | Confident | 11 Ų | 11 | 52.4 Ų | 52.4 | 9% | 0.091 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 140.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | V872 D893 A894 | V872-A891 CarbonylContact O-C 3.54Å; V872-A891 WeakPolarHBondContact O-CA 3.36Å; A891-D893 PolarHBondContact O-N 3.49Å; A891-D893 VanDerWaalsContact O-N 3.07Å; A891-A894 HydrophobicContact CB-CB 4.47Å; A891-A894 WeakPolarHBondContact O-CB 3.44Å; A891-A894 PolarHBondContact O-N 2.77Å |
| 892 | A | 85.7 | Confident | 86.6 | Confident | 25 Ų | 25 | 55.1 Ų | 55.1 | 21% | 0.207 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -15.6 | -169 | 0 | 0 | 0 | 0 | 0 | 114.8 | V872 | V872-A892 HydrophobicContact CB-CB 3.79Å; V872-A892 HydrophobicContact CG1-CB 3.93Å; V872-A892 WeakPolarHBondContact O-CB 3.46Å; V872-A892 PolarHBondContact O-N 3.17Å |
| 893 | D | 87.5 | Confident | 86 | Confident | 22 Ų | 22 | 52.7 Ų | 52.7 | 12% | 0.118 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 11.7 | 176.9 | 79.9 | -40.8 | 0 | 0 | 0 | 113.2 | R468 K470 W488 Q869 A891 | R468-D893 IonicContact CZ-OD2 3.61Å; R468-D893 PolarHBondContact NH1-O 3.41Å; R468-D893 IonicContact NH1-OD2 2.87Å; R468-D893 PolarHBondContact NH2-O 2.04Å; R468-D893 IonicContact NH2-OD2 3.2Å; R468-D893 PolarHBondContact NH2-OD2 2.95Å; K470-D893 WeakPolarHBondContact CE-OD2 3.48Å; K470-D893 IonicContact NZ-OD2 3.15Å; K470-D893 PolarHBondContact NZ-OD2 2.93Å; W488-D893 VanDerWaalsContact CD1-O 3.28Å; Q869-D893 HydrophobicContact CB-CB 4.03Å; A891-D893 PolarHBondContact O-N 3.49Å; A891-D893 VanDerWaalsContact O-N 3.07Å |
| 894 | A | 88 | Confident | 85.1 | Confident | 16 Ų | 16 | 48.7 Ų | 48.7 | 13% | 0.132 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -79.7 | -27.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | K487 W488 H890 A891 | K487-A894 WeakPolarHBondContact CG-O 3.26Å; W488-A894 PolarHBondContact N-O 3.36Å; H890-A894 HydrophobicContact CB-CB 4.44Å; A891-A894 HydrophobicContact CB-CB 4.47Å; A891-A894 WeakPolarHBondContact O-CB 3.44Å; A891-A894 PolarHBondContact O-N 2.77Å |
| 895 | Y | 87.6 | Confident | 83.8 | Confident | 69 Ų | 69 | 50.8 Ų | 50.8 | 27% | 0.271 | 26% | 0.263 | S | S | . | . | B | Isolated β-bridge | trans | -108.9 | 170.6 | 178.6 | -64.2 | -82.6 | 0 | 0 | 0 | 112.6 | G486 K487 H890 E899 E900 | G486-Y895 CarbonylContact O-C 3.54Å; G486-Y895 VanDerWaalsContact O-CA 3.25Å; G486-Y895 WeakPolarHBondContact O-CA 3.31Å; G486-Y895 WeakPolarHBondContact O-CB 3.31Å; G486-Y895 WeakPolarHBondContact O-CD1 3.06Å; K487-Y895 HydrophobicContact CB-CD1 3.87Å; K487-Y895 HydrophobicContact CB-CE1 3.85Å; K487-Y895 HydrophobicContact CD-CD1 4.38Å; K487-Y895 HydrophobicContact CD-CE1 3.64Å; K487-Y895 HydrophobicContact CG-CD1 3.95Å; K487-Y895 HydrophobicContact CG-CE1 3.72Å; K487-Y895 PolarHBondContact NZ-OH 3.04Å; H890-Y895 HydrophobicContact CB-CD2 4.32Å; H890-Y895 HydrophobicContact CB-CE2 3.66Å; H890-Y895 AromaticContact CD2-CD2 3.38Å; H890-Y895 WeakPolarHBondContact CD2-CD2 3.25Å; H890-Y895 AromaticContact CD2-CE2 3.55Å; H890-Y895 AromaticContact CG-CD2 3.78Å; H890-Y895 AromaticContact CG-CE2 3.41Å; H890-Y895 VanDerWaalsContact CG-CE2 3.41Å; H890-Y895 AromaticContact ND1-CE2 3.82Å; H890-Y895 AromaticContact NE2-CD2 3.75Å; Y895-E899 HydrophobicContact CD1-CB 4.45Å; Y895-E899 HydrophobicContact CG-CB 4.49Å; Y895-E900 WeakPolarHBondContact CB-OE1 3.26Å |
| 896 | S | 83.1 | Confident | 82.3 | Confident | 12 Ų | 12 | 51 Ų | 51 | 8% | 0.084 | 27% | 0.267 | C | S | . | . | trans | -68.3 | 164.1 | 170.2 | 91.8 | 0 | 0 | 0 | 0 | 111.1 | G486 E898 E899 E900 | G486-S896 PolarHBondContact O-N 2.85Å; S896-E898 VanDerWaalsContact C-N 3.26Å; S896-E898 PolarHBondContact O-N 3.19Å; S896-E898 PolarHBondContact OG-N 2.87Å; S896-E898 VanDerWaalsContact OG-N 3.14Å; S896-E898 PolarHBondContact OG-OE2 3.18Å; S896-E898 VanDerWaalsContact OG-OE2 3.09Å; S896-E899 WeakPolarHBondContact CB-OE2 3.46Å; S896-E899 PolarHBondContact O-N 2.87Å; S896-E899 PolarHBondContact OG-N 2.58Å; S896-E899 VanDerWaalsContact OG-N 3.09Å; S896-E899 PolarHBondContact OG-OE2 2.71Å; S896-E900 WeakPolarHBondContact O-CB 3.46Å; S896-E900 VanDerWaalsContact O-CG 3.28Å; S896-E900 WeakPolarHBondContact O-CG 3.48Å; S896-E900 PolarHBondContact O-N 2.77Å | ||
| 897 | A | 79.6 | Confident | 80.2 | Confident | 80 Ų | 80 | 56.7 Ų | 56.7 | 66% | 0.661 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -62.1 | -34.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D901 | A897-D901 WeakPolarHBondContact O-CB 3.42Å; A897-D901 PolarHBondContact O-N 3.3Å |
| 898 | E | 77.9 | Confident | 78.1 | Confident | 118 Ų | 118 | 58.7 Ų | 58.7 | 55% | 0.551 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -70 | -41.6 | 177.8 | -63 | 87.5 | 177.2 | 0 | 0 | 112.3 | S896 D901 L902 | S896-E898 VanDerWaalsContact C-N 3.26Å; S896-E898 PolarHBondContact O-N 3.19Å; S896-E898 PolarHBondContact OG-N 2.87Å; S896-E898 VanDerWaalsContact OG-N 3.14Å; S896-E898 PolarHBondContact OG-OE2 3.18Å; S896-E898 VanDerWaalsContact OG-OE2 3.09Å; E898-D901 PolarHBondContact O-N 3.48Å; E898-L902 WeakPolarHBondContact O-CG 3.3Å; E898-L902 PolarHBondContact O-N 3.21Å |
| 899 | E | 78.9 | Confident | 76 | Confident | 75 Ų | 75 | 57.3 Ų | 57.3 | 35% | 0.35 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -69.3 | -36.5 | 176.9 | -88.6 | 85.9 | -161.9 | 0 | 0 | 112.3 | G486 Y895 S896 L902 F903 | G486-E899 WeakPolarHBondContact CA-OE2 3.26Å; Y895-E899 HydrophobicContact CD1-CB 4.45Å; Y895-E899 HydrophobicContact CG-CB 4.49Å; S896-E899 WeakPolarHBondContact CB-OE2 3.46Å; S896-E899 PolarHBondContact O-N 2.87Å; S896-E899 PolarHBondContact OG-N 2.58Å; S896-E899 VanDerWaalsContact OG-N 3.09Å; S896-E899 PolarHBondContact OG-OE2 2.71Å; E899-L902 PolarHBondContact O-N 2.66Å; E899-F903 PolarHBondContact O-N 3.07Å |
| 900 | E | 79.9 | Confident | 73.5 | Confident | 20 Ų | 20 | 59.2 Ų | 59.2 | 9% | 0.093 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64 | -41.9 | 171.7 | -71.6 | -66.4 | 152.8 | 0 | 0 | 111.5 | H890 Y895 S896 L902 F903 D904 | H890-E900 IonicContact CD2-OE1 3.49Å; H890-E900 PolarHBondContact CD2-OE1 2.84Å; H890-E900 VanDerWaalsContact CD2-OE1 3.29Å; H890-E900 IonicContact NE2-OE1 3.05Å; H890-E900 PolarHBondContact NE2-OE1 3Å; H890-E900 IonicContact NE2-OE2 3.95Å; H890-E900 PolarHBondContact NE2-OE2 3.02Å; Y895-E900 WeakPolarHBondContact CB-OE1 3.26Å; S896-E900 WeakPolarHBondContact O-CB 3.46Å; S896-E900 VanDerWaalsContact O-CG 3.28Å; S896-E900 WeakPolarHBondContact O-CG 3.48Å; S896-E900 PolarHBondContact O-N 2.77Å; E900-L902 VanDerWaalsContact C-N 3.32Å; E900-L902 PolarHBondContact O-N 2.97Å; E900-F903 WeakPolarHBondContact O-CB 3.42Å; E900-F903 PolarHBondContact O-N 3.49Å; E900-F903 VanDerWaalsContact O-N 3.11Å; E900-D904 PolarHBondContact O-N 3.16Å |
| 901 | D | 76.1 | Confident | 71.1 | Confident | 87 Ų | 87 | 64 Ų | 64 | 47% | 0.465 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62 | -41 | 174.9 | -170.1 | 60.6 | 0 | 0 | 0 | 111.1 | A897 E898 F903 D904 H905 | A897-D901 WeakPolarHBondContact O-CB 3.42Å; A897-D901 PolarHBondContact O-N 3.3Å; E898-D901 PolarHBondContact O-N 3.48Å; D901-F903 VanDerWaalsContact C-N 3.34Å; D901-F903 PolarHBondContact O-N 3Å; D901-D904 PolarHBondContact O-N 3.06Å; D901-H905 VanDerWaalsContact O-CB 3.26Å; D901-H905 WeakPolarHBondContact O-CB 2.98Å; D901-H905 PolarHBondContact O-CD2 2.97Å; D901-H905 VanDerWaalsContact O-CD2 3.28Å; D901-H905 PolarHBondContact O-N 2.91Å; D901-H905 IonicContact OD1-CD2 2.88Å; D901-H905 PolarHBondContact OD1-CD2 3.31Å; D901-H905 IonicContact OD1-NE2 3.42Å |
| 902 | L | 76.3 | Confident | 68.6 | Low | 81 Ų | 81 | 70 Ų | 70 | 42% | 0.424 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.3 | -38.1 | 172.7 | -72 | 173.5 | 0 | 0 | 0 | 112.5 | E898 E899 E900 D904 Q906 L909 | E898-L902 WeakPolarHBondContact O-CG 3.3Å; E898-L902 PolarHBondContact O-N 3.21Å; E899-L902 PolarHBondContact O-N 2.66Å; E900-L902 VanDerWaalsContact C-N 3.32Å; E900-L902 PolarHBondContact O-N 2.97Å; L902-D904 VanDerWaalsContact C-N 3.33Å; L902-Q906 WeakPolarHBondContact O-CA 3.23Å; L902-Q906 VanDerWaalsContact O-CB 3.28Å; L902-Q906 WeakPolarHBondContact O-CB 3.49Å; L902-Q906 PolarHBondContact O-N 3.34Å; L902-L909 HydrophobicContact CD2-CD1 3.43Å; L902-L909 VanDerWaalsContact CD2-CD1 3.43Å |
| 903 | F | 78.4 | Confident | 66.2 | Low | 21 Ų | 21 | 77.5 Ų | 77.5 | 9% | 0.092 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.1 | -40 | 175.4 | 168.4 | -86.6 | 0 | 0 | 0 | 111.8 | I852 R874 R876 H888 H890 E899 E900 D901 | I852-F903 HydrophobicContact CD1-CE1 4.48Å; I852-F903 HydrophobicContact CG1-CE1 4.42Å; I852-F903 HydrophobicContact CG2-CE1 4.35Å; R874-F903 HydrophobicContact CB-CE1 4.39Å; R874-F903 HydrophobicContact CB-CZ 4.28Å; R876-F903 HydrophobicContact CB-CE2 4.42Å; R876-F903 HydrophobicContact CG-CD2 3.92Å; R876-F903 HydrophobicContact CG-CE2 3.43Å; R876-F903 VanDerWaalsContact CG-CE2 3.43Å; R876-F903 HydrophobicContact CG-CZ 3.91Å; R876-F903 PolarHBondContact NH1-O 2.95Å; H888-F903 HydrophobicContact CB-CD2 4.44Å; H888-F903 HydrophobicContact CB-CE2 4.19Å; H890-F903 AromaticContact CE1-CD2 3.67Å; H890-F903 AromaticContact CE1-CE2 3.48Å; H890-F903 VanDerWaalsContact CE1-CE2 3.48Å; H890-F903 WeakPolarHBondContact CE1-CE2 3.32Å; H890-F903 AromaticContact CE1-CZ 3.87Å; E899-F903 PolarHBondContact O-N 3.07Å; E900-F903 WeakPolarHBondContact O-CB 3.42Å; E900-F903 PolarHBondContact O-N 3.49Å; E900-F903 VanDerWaalsContact O-N 3.11Å; D901-F903 VanDerWaalsContact C-N 3.34Å; D901-F903 PolarHBondContact O-N 3Å |
| 904 | D | 72.3 | Confident | 63.6 | Low | 38 Ų | 38 | 86.5 Ų | 86.5 | 20% | 0.203 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -74.7 | -43.7 | 177.6 | -74.9 | -20.6 | 0 | 0 | 0 | 111.5 | I852 R876 E900 D901 L902 | I852-D904 VanDerWaalsContact CD1-OD1 3.23Å; I852-D904 WeakPolarHBondContact CD1-OD1 3.25Å; R876-D904 PolarHBondContact NH1-O 2.61Å; E900-D904 PolarHBondContact O-N 3.16Å; D901-D904 PolarHBondContact O-N 3.06Å; L902-D904 VanDerWaalsContact C-N 3.33Å |
| 905 | H | 68.3 | Low | 62.3 | Low | 63 Ų | 63 | 90 Ų | 90 | 29% | 0.292 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -104.7 | 7.5 | -166.4 | -66.8 | -86.3 | 0 | 0 | 0 | 116.3 | D901 R907 Q908 | D901-H905 VanDerWaalsContact O-CB 3.26Å; D901-H905 WeakPolarHBondContact O-CB 2.98Å; D901-H905 PolarHBondContact O-CD2 2.97Å; D901-H905 VanDerWaalsContact O-CD2 3.28Å; D901-H905 PolarHBondContact O-N 2.91Å; D901-H905 IonicContact OD1-CD2 2.88Å; D901-H905 PolarHBondContact OD1-CD2 3.31Å; D901-H905 IonicContact OD1-NE2 3.42Å; H905-R907 PolarHBondContact O-N 2.89Å; H905-Q908 PolarHBondContact ND1-OE1 3.18Å; H905-Q908 PolarHBondContact O-N 2.96Å |
| 906 | Q | 60 | Low | 61 | Low | 101 Ų | 101 | 91.1 Ų | 91.1 | 47% | 0.472 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -47.6 | -23.2 | -174.8 | -155 | 175 | 5.4 | 0 | 0 | 115.3 | L902 | L902-Q906 WeakPolarHBondContact O-CA 3.23Å; L902-Q906 VanDerWaalsContact O-CB 3.28Å; L902-Q906 WeakPolarHBondContact O-CB 3.49Å; L902-Q906 PolarHBondContact O-N 3.34Å |
| 907 | R | 51.3 | Low | 59.8 | Low | 140 Ų | 140 | 95.5 Ų | 95.5 | 53% | 0.528 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -88.1 | -22.1 | 179.6 | -149.5 | 170.5 | 166.4 | -170.8 | -8.2 | 115 | E850 H905 S910 | E850-R907 VanDerWaalsContact OE2-CD 3.24Å; E850-R907 WeakPolarHBondContact OE2-CD 3.5Å; E850-R907 IonicContact OE2-CZ 2.92Å; E850-R907 IonicContact OE2-NE 2.99Å; E850-R907 IonicContact OE2-NH1 2.96Å; E850-R907 PolarHBondContact OE2-NH1 3.16Å; H905-R907 PolarHBondContact O-N 2.89Å; R907-S910 PolarHBondContact O-OG 3.38Å; R907-S910 VanDerWaalsContact O-OG 3.09Å |
| 908 | Q | 46.9 | Very low | 58.6 | Low | 109 Ų | 109 | 96.4 Ų | 96.4 | 51% | 0.509 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -78 | -35.6 | 178 | -76.6 | -178.9 | -15.3 | 0 | 0 | 112 | H905 N911 N912 | H905-Q908 PolarHBondContact ND1-OE1 3.18Å; H905-Q908 PolarHBondContact O-N 2.96Å; Q908-N911 PolarHBondContact O-N 3.45Å; Q908-N912 PolarHBondContact O-N 2.78Å |
| 909 | L | 45 | Very low | 57.4 | Low | 85 Ų | 85 | 95.1 Ų | 95.1 | 45% | 0.445 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -71 | -33.5 | 178.4 | -72.2 | 165.3 | 0 | 0 | 0 | 112.7 | L902 N911 | L902-L909 HydrophobicContact CD2-CD1 3.43Å; L902-L909 VanDerWaalsContact CD2-CD1 3.43Å; L909-N911 VanDerWaalsContact C-N 3.29Å; L909-N911 PolarHBondContact O-N 3.32Å |
| 910 | S | 38.6 | Very low | 56 | Low | 61 Ų | 61 | 96.4 Ų | 96.4 | 43% | 0.427 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -71.3 | -21.9 | 175.7 | 53 | 0 | 0 | 0 | 0 | 113.9 | R907 | R907-S910 PolarHBondContact O-OG 3.38Å; R907-S910 VanDerWaalsContact O-OG 3.09Å |
| 911 | N | 41 | Very low | 54.3 | Low | 111 Ų | 111 | 101.9 Ų | 101.9 | 59% | 0.594 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -92.2 | -16.9 | 179.1 | -74.2 | -7 | 0 | 0 | 0 | 113.4 | Q908 L909 | Q908-N911 PolarHBondContact O-N 3.45Å; L909-N911 VanDerWaalsContact C-N 3.29Å; L909-N911 PolarHBondContact O-N 3.32Å |
| 912 | N | 38.4 | Very low | 52.6 | Low | 136 Ų | 136 | 103 Ų | 103 | 73% | 0.727 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -92.9 | -4.7 | 176.4 | -76.3 | -25 | 0 | 0 | 0 | 113.4 | Q908 | Q908-N912 PolarHBondContact O-N 2.78Š|
| 913 | F | 35.7 | Very low | 50.6 | Low | 182 Ų | 182 | 104.8 Ų | 104.8 | 80% | 0.798 | 52% | 0.516 | S | S | * | . | trans | -115.9 | 13.9 | 177.9 | -86 | -78.9 | 0 | 0 | 0 | 113.8 | ||||
| 914 | L | 31.4 | Very low | 48.1 | Very low | 211 Ų | 211 | 112.5 Ų | 112.5 | 100% | 1.105 | 56% | 0.555 | S | S | * | * | trans | -113.4 | 0 | 172.2 | -86.9 | 168 | 0 | 0 | 0 | 111.7 |
Retrieved 914 of 914 residues in 292.5 ms
(Link to these results)