| 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 | 41.1 | Very low | 49.3 | Very low | 245 Ų | 245 | 142.4 Ų | 142.4 | 100% | 1.207 | 71% | 0.707 | S | S | * | * | 0 | 87.4 | 0 | -66.2 | 163.1 | 76.6 | 0 | 0 | 107 | |||||
| 2 | W | 45.2 | Very low | 49 | Very low | 254 Ų | 254 | 140.2 Ų | 140.2 | 96% | 0.962 | 70% | 0.699 | S | S | * | * | trans | -86.2 | 120.3 | 170.8 | -93.5 | -41.7 | 0 | 0 | 0 | 107.7 | ||||
| 3 | G | 43.4 | Very low | 48.6 | Very low | 46 Ų | 46 | 140 Ų | 140 | 47% | 0.474 | 70% | 0.701 | S | S | . | * | trans | -70.3 | 142.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112 | Q5 E6 | G3-Q5 PolarHBondContact O-N 3.11Å; G3-E6 PolarHBondContact O-N 3.21Å | ||
| 4 | S | 56.4 | Low | 48.2 | Very low | 107 Ų | 107 | 137.8 Ų | 137.8 | 75% | 0.748 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -52.3 | -12.2 | -179.7 | -69.6 | 0 | 0 | 0 | 0 | 115.7 | ||
| 5 | Q | 52.3 | Low | 47.7 | Very low | 160 Ų | 160 | 136.9 Ų | 136.9 | 75% | 0.748 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -81 | -28.3 | -177.4 | -159.6 | 164.1 | -9.8 | 0 | 0 | 113.1 | G3 | G3-Q5 PolarHBondContact O-N 3.11Å |
| 6 | E | 51.5 | Low | 47 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 58% | 0.579 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -76.9 | -27.4 | 178.3 | -66.3 | -66.6 | 117.4 | 0 | 0 | 112.3 | G3 L8 V10 | G3-E6 PolarHBondContact O-N 3.21Å; E6-L8 VanDerWaalsContact C-N 3.34Å; E6-L8 PolarHBondContact O-N 3.43Å; E6-V10 PolarHBondContact O-N 2.77Å |
| 7 | M | 52.2 | Low | 46.5 | Very low | 137 Ų | 137 | 131.4 Ų | 131.4 | 68% | 0.675 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -73.5 | -24.2 | 178.8 | -74.1 | -70 | -98.9 | 0 | 0 | 113.2 | W11 | M7-W11 PolarHBondContact O-N 2.05Å |
| 8 | L | 53.3 | Low | 46.3 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 61% | 0.607 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -74.7 | -34.5 | 177 | -90.2 | 155.1 | 0 | 0 | 0 | 112.3 | E6 W11 L12 | E6-L8 VanDerWaalsContact C-N 3.34Å; E6-L8 PolarHBondContact O-N 3.43Å; L8-W11 PolarHBondContact O-N 3.47Å; L8-L12 PolarHBondContact O-N 3.2Å; L8-L12 VanDerWaalsContact O-N 3.08Å |
| 9 | L | 48.4 | Very low | 46.1 | Very low | 101 Ų | 101 | 124.8 Ų | 124.8 | 53% | 0.529 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -71.7 | -34.5 | 177 | -74.2 | 167.2 | 0 | 0 | 0 | 112.1 | L12 L13 | L9-L12 PolarHBondContact O-N 2.97Å; L9-L13 PolarHBondContact O-N 3.19Å; L9-L13 VanDerWaalsContact O-N 3.11Å |
| 10 | V | 52.5 | Low | 46 | Very low | 90 Ų | 90 | 124.2 Ų | 124.2 | 55% | 0.545 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -67.2 | -36.9 | 172.8 | 178.1 | 0 | 0 | 0 | 0 | 111.3 | E6 L13 V14 | E6-V10 PolarHBondContact O-N 2.77Å; V10-L13 PolarHBondContact O-N 2.87Å; V10-V14 WeakPolarHBondContact O-CG2 3.11Å; V10-V14 PolarHBondContact O-N 2.87Å |
| 11 | W | 45.9 | Very low | 46 | Very low | 186 Ų | 186 | 127.5 Ų | 127.5 | 71% | 0.705 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -68.2 | -35.8 | 175.4 | -109 | 79.3 | 0 | 0 | 0 | 113.4 | M7 L8 | M7-W11 PolarHBondContact O-N 2.05Å; L8-W11 PolarHBondContact O-N 3.47Å |
| 12 | L | 46.2 | Very low | 46.5 | Very low | 116 Ų | 116 | 120 Ų | 120 | 61% | 0.607 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -71.5 | -31.4 | 175.8 | -87.6 | 152.3 | 0 | 0 | 0 | 112.9 | L8 L9 L15 | L8-L12 PolarHBondContact O-N 3.2Å; L8-L12 VanDerWaalsContact O-N 3.08Å; L9-L12 PolarHBondContact O-N 2.97Å; L12-L15 PolarHBondContact O-N 2.05Å |
| 13 | L | 43 | Very low | 46.7 | Very low | 138 Ų | 138 | 111.2 Ų | 111.2 | 72% | 0.723 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -73.7 | -25 | 177.2 | -82.3 | 163.1 | 0 | 0 | 0 | 113.8 | L9 V10 | L9-L13 PolarHBondContact O-N 3.19Å; L9-L13 VanDerWaalsContact O-N 3.11Å; V10-L13 PolarHBondContact O-N 2.87Å |
| 14 | V | 44 | Very low | 47 | Very low | 109 Ų | 109 | 116.1 Ų | 116.1 | 66% | 0.661 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -76.2 | -24.7 | 176.4 | 178.2 | 0 | 0 | 0 | 0 | 112.1 | V10 | V10-V14 WeakPolarHBondContact O-CG2 3.11Å; V10-V14 PolarHBondContact O-N 2.87Å |
| 15 | L | 39.9 | Very low | 46.8 | Very low | 125 Ų | 125 | 119.6 Ų | 119.6 | 65% | 0.654 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -8.7 | -178.1 | -69.7 | 170.1 | 0 | 0 | 0 | 114.4 | L12 | L12-L15 PolarHBondContact O-N 2.05Š|
| 16 | A | 37.3 | Very low | 46.5 | Very low | 89 Ų | 89 | 117 Ų | 117 | 74% | 0.736 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | 6.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 17 | A | 37.8 | Very low | 46.8 | Very low | 90 Ų | 90 | 114.5 Ų | 114.5 | 74% | 0.744 | 66% | 0.661 | S | S | * | * | trans | -100.3 | 32.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112 | G19 | A17-G19 PolarHBondContact O-N 3.16Š| ||
| 18 | G | 42.9 | Very low | 47.5 | Very low | 82 Ų | 82 | 116.9 Ų | 116.9 | 85% | 0.845 | 66% | 0.663 | S | S | * | * | trans | -77 | 66.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 19 | G | 41.8 | Very low | 49 | Very low | 57 Ų | 57 | 116.3 Ų | 116.3 | 59% | 0.588 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -117.6 | 90.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | A17 | A17-G19 PolarHBondContact O-N 3.16Š|
| 20 | T | 45.2 | Very low | 50.8 | Low | 111 Ų | 111 | 112.9 Ų | 112.9 | 68% | 0.681 | 64% | 0.636 | S | S | * | * | trans | 68.6 | 102.3 | 178.3 | 71.4 | 0 | 0 | 0 | 0 | 115.4 | H22 | T20-H22 VanDerWaalsContact CB-CE1 3.5Å; T20-H22 WeakPolarHBondContact CB-CE1 3.49Å; T20-H22 WeakPolarHBondContact CB-ND1 3.15Å; T20-H22 PolarHBondContact O-N 2.9Å; T20-H22 PolarHBondContact OG1-CE1 3.36Å; T20-H22 PolarHBondContact OG1-ND1 3.12Å | ||
| 21 | E | 45.1 | Very low | 52.3 | Low | 194 Ų | 194 | 109 Ų | 109 | 91% | 0.907 | 61% | 0.613 | S | S | * | * | trans | -67.8 | 75.9 | 168.5 | -69.8 | -160.2 | 135.9 | 0 | 0 | 111 | A23 | E21-A23 VanDerWaalsContact C-N 3.28Å; E21-A23 PolarHBondContact O-N 3.46Å; E21-A23 VanDerWaalsContact O-N 3.09Å | ||
| 22 | H | 51.7 | Low | 53.9 | Low | 87 Ų | 87 | 101.5 Ų | 101.5 | 40% | 0.403 | 59% | 0.59 | S | S | . | * | trans | -77.3 | 86.7 | 161.1 | -69.2 | 86.5 | 0 | 0 | 0 | 107.3 | T20 Y24 | T20-H22 VanDerWaalsContact CB-CE1 3.5Å; T20-H22 WeakPolarHBondContact CB-CE1 3.49Å; T20-H22 WeakPolarHBondContact CB-ND1 3.15Å; T20-H22 PolarHBondContact O-N 2.9Å; T20-H22 PolarHBondContact OG1-CE1 3.36Å; T20-H22 PolarHBondContact OG1-ND1 3.12Å; H22-Y24 VanDerWaalsContact C-N 3.3Å; H22-Y24 PolarHBondContact O-N 3.1Å | ||
| 23 | A | 50.7 | Low | 55.3 | Low | 71 Ų | 71 | 99.3 Ų | 99.3 | 59% | 0.587 | 58% | 0.582 | S | S | * | * | trans | -63.1 | 92 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | E21 R25 | E21-A23 VanDerWaalsContact C-N 3.28Å; E21-A23 PolarHBondContact O-N 3.46Å; E21-A23 VanDerWaalsContact O-N 3.09Å; A23-R25 PolarHBondContact O-N 3.39Å | ||
| 24 | Y | 48.1 | Very low | 56.1 | Low | 148 Ų | 148 | 95.7 Ų | 95.7 | 58% | 0.58 | 58% | 0.577 | S | S | * | * | trans | -67.2 | 108.6 | 179.7 | 177.9 | -102.5 | 0 | 0 | 0 | 109.8 | H22 P26 | H22-Y24 VanDerWaalsContact C-N 3.3Å; H22-Y24 PolarHBondContact O-N 3.1Å; Y24-P26 HydrophobicContact CD1-CG 4.19Å; Y24-P26 HydrophobicContact CE1-CB 3.98Å; Y24-P26 HydrophobicContact CE1-CG 4.08Å; Y24-P26 WeakPolarHBondContact O-CD 3.49Å | ||
| 25 | R | 53.1 | Low | 56.7 | Low | 180 Ų | 180 | 92.1 Ų | 92.1 | 68% | 0.679 | 56% | 0.559 | S | S | * | * | trans | -88.9 | 113.4 | 168.7 | -77.6 | -168.2 | 177.6 | 175.1 | 0.8 | 109.5 | A23 G27 | A23-R25 PolarHBondContact O-N 3.39Å; R25-G27 PolarHBondContact O-N 3.17Å | ||
| 26 | P | 46.1 | Very low | 57.4 | Low | 105 Ų | 105 | 94.5 Ų | 94.5 | 68% | 0.682 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -9.8 | -166 | -23.7 | 32.8 | 0 | 0 | 0 | 117.2 | Y24 | Y24-P26 HydrophobicContact CD1-CG 4.19Å; Y24-P26 HydrophobicContact CE1-CB 3.98Å; Y24-P26 HydrophobicContact CE1-CG 4.08Å; Y24-P26 WeakPolarHBondContact O-CD 3.49Å |
| 27 | G | 57.7 | Low | 58.2 | Low | 73 Ų | 73 | 92.7 Ų | 92.7 | 75% | 0.753 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | -18.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | R25 | R25-G27 PolarHBondContact O-N 3.17Š|
| 28 | R | 67.1 | Low | 59.2 | Low | 187 Ų | 187 | 94.5 Ų | 94.5 | 71% | 0.706 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.7 | -3.2 | -168.6 | -63.9 | -172.4 | -179.4 | -171.9 | -0.1 | 115.5 | V30 C102 | R28-V30 HydrophobicContact CB-CB 4.49Å; R28-V30 HydrophobicContact CB-CG2 3.85Å; R28-V30 WeakPolarHBondContact O-CG2 3.47Å; R28-V30 PolarHBondContact O-N 3.1Å; R28-C102 WeakPolarHBondContact O-CB 3.48Å |
| 29 | R | 84.8 | Confident | 60.2 | Low | 103 Ų | 103 | 94.2 Ų | 94.2 | 39% | 0.389 | 54% | 0.537 | S | S | . | . | trans | 50.3 | 41.3 | -175.7 | -42.7 | -177.7 | -163.4 | -116.9 | 6.8 | 112.1 | C89 W92 C102 | R29-C89 VanDerWaalsContact C-SG 3.57Å; R29-C89 PolarHBondContact O-N 3.38Å; R29-W92 HydrophobicContact CB-CD2 4.39Å; R29-W92 HydrophobicContact CB-CG 4.22Å; R29-W92 VanDerWaalsContact CD-CE2 3.47Å; R29-W92 HydrophobicContact CG-CD2 4.45Å; R29-C102 HydrophobicContact CB-CB 4.26Å; R29-C102 WeakPolarHBondContact CB-O 3.02Å; R29-C102 WeakPolarHBondContact CD-O 3.08Å; R29-C102 VanDerWaalsContact O-CB 3.28Å; R29-C102 WeakPolarHBondContact O-CB 3.02Å | ||
| 30 | V | 85.1 | Confident | 61.6 | Low | 30 Ų | 30 | 95 Ų | 95 | 18% | 0.182 | 53% | 0.53 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 130.7 | 178.6 | 175.3 | 0 | 0 | 0 | 0 | 107.9 | R28 Y86 A87 C102 | R28-V30 HydrophobicContact CB-CB 4.49Å; R28-V30 HydrophobicContact CB-CG2 3.85Å; R28-V30 WeakPolarHBondContact O-CG2 3.47Å; R28-V30 PolarHBondContact O-N 3.1Å; V30-Y86 HydrophobicContact CG1-CD1 3.9Å; V30-Y86 HydrophobicContact CG1-CG 4.12Å; V30-A87 CarbonylContact C-O 3.16Å; V30-A87 WeakPolarHBondContact CA-O 3.47Å; V30-C102 HydrophobicContact CG2-CB 4.47Å |
| 31 | C | 84.6 | Confident | 63.2 | Low | 9 Ų | 9 | 93.6 Ų | 93.6 | 6% | 0.061 | 53% | 0.525 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 140.8 | 179.4 | -80.2 | 0 | 0 | 0 | 0 | 109.3 | V33 A87 C89 | C31-V33 PolarHBondContact O-N 3.45Å; C31-A87 PolarHBondContact N-O 3.48Å; C31-A87 PolarHBondContact O-N 3.44Å; C31-C89 HydrophobicContact CB-CB 4.08Å; C31-C89 WeakPolarHBondContact CB-SG 3.5Å; C31-C89 PolarHBondContact N-SG 3.48Å; C31-C89 VanDerWaalsContact SG-CA 3.51Å; C31-C89 WeakPolarHBondContact SG-CB 3.5Å; C31-C89 CovalentContact SG-SG 2.05Å; C31-C89 PolarHBondContact SG-SG 3Å |
| 32 | A | 80.4 | Confident | 64.8 | Low | 28 Ų | 28 | 87.5 Ų | 87.5 | 23% | 0.231 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 119.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | P84 Y86 | A32-P84 HydrophobicContact CB-CB 4.44Å; A32-Y86 HydrophobicContact CB-CE1 4.32Å |
| 33 | V | 74.7 | Confident | 66.2 | Low | 70 Ų | 70 | 87.1 Ų | 87.1 | 42% | 0.424 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 116 | 169.5 | -174.8 | 0 | 0 | 0 | 0 | 105.5 | C31 A35 R85 A87 | C31-V33 PolarHBondContact O-N 3.45Å; V33-A35 PolarHBondContact O-N 3.31Å; V33-A35 VanDerWaalsContact O-N 3.12Å; V33-R85 PolarHBondContact N-O 3.06Å; V33-A87 HydrophobicContact CG2-CB 3.53Å |
| 34 | G | 61.1 | Low | 67.8 | Low | 61 Ų | 61 | 87.5 Ų | 87.5 | 63% | 0.629 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 120 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109 | H36 | G34-H36 VanDerWaalsContact C-N 3.33Å; G34-H36 PolarHBondContact O-N 2.94Å; G34-H36 VanDerWaalsContact O-N 3.1Å |
| 35 | A | 54.8 | Low | 69.6 | Low | 35 Ų | 35 | 85.4 Ų | 85.4 | 29% | 0.289 | 50% | 0.495 | S | S | . | . | trans | -71.8 | 100.2 | 160.8 | 0 | 0 | 0 | 0 | 0 | 105.2 | V33 G37 A82 | V33-A35 PolarHBondContact O-N 3.31Å; V33-A35 VanDerWaalsContact O-N 3.12Å; A35-G37 VanDerWaalsContact C-N 3.34Å; A35-G37 PolarHBondContact O-N 3.2Å; A35-A82 HydrophobicContact CB-CB 4.22Å | ||
| 36 | H | 54.7 | Low | 71.1 | Confident | 175 Ų | 175 | 81.3 Ų | 81.3 | 81% | 0.81 | 48% | 0.483 | S | S | * | . | trans | -56.5 | 111 | 157.5 | -79.2 | -74.5 | 0 | 0 | 0 | 105.1 | G34 D38 | G34-H36 VanDerWaalsContact C-N 3.33Å; G34-H36 PolarHBondContact O-N 2.94Å; G34-H36 VanDerWaalsContact O-N 3.1Å; H36-D38 VanDerWaalsContact C-N 3.3Å; H36-D38 PolarHBondContact O-N 3.49Å | ||
| 37 | G | 55.2 | Low | 73 | Confident | 50 Ų | 50 | 82.7 Ų | 82.7 | 52% | 0.515 | 48% | 0.475 | S | S | . | . | trans | -63.1 | 102.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 105.6 | A35 | A35-G37 VanDerWaalsContact C-N 3.34Å; A35-G37 PolarHBondContact O-N 3.2Å | ||
| 38 | D | 59.2 | Low | 74.3 | Confident | 129 Ų | 129 | 81.4 Ų | 81.4 | 69% | 0.69 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -53 | 133.6 | 173.7 | -72.5 | -44.8 | 0 | 0 | 0 | 107.6 | H36 V40 | H36-D38 VanDerWaalsContact C-N 3.3Å; H36-D38 PolarHBondContact O-N 3.49Å; D38-V40 PolarHBondContact O-N 3.27Å |
| 39 | P | 63.3 | Low | 75.1 | Confident | 75 Ų | 75 | 78.5 Ų | 78.5 | 49% | 0.487 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 117.9 | -179.6 | 20.3 | -29.4 | 0 | 0 | 0 | 108.6 | S41 R75 | P39-S41 PolarHBondContact O-N 3.36Å; P39-R75 HydrophobicContact CB-CB 4.36Å |
| 40 | V | 71.4 | Confident | 74.9 | Confident | 75 Ų | 75 | 77 Ų | 77 | 46% | 0.455 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 127.2 | -179.5 | -179.3 | 0 | 0 | 0 | 0 | 107.5 | D38 E42 S76 | D38-V40 PolarHBondContact O-N 3.27Å; V40-E42 HydrophobicContact CG1-CG 4.35Å; V40-E42 PolarHBondContact O-N 3.05Å; V40-S76 PolarHBondContact N-O 2.82Å; V40-S76 PolarHBondContact O-N 2.92Å; V40-S76 PolarHBondContact O-OG 3.19Å |
| 41 | S | 77.6 | Confident | 74.7 | Confident | 80 Ų | 80 | 80.4 Ų | 80.4 | 56% | 0.559 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 109.6 | 170.9 | -170.7 | 0 | 0 | 0 | 0 | 108.4 | P39 | P39-S41 PolarHBondContact O-N 3.36Å |
| 42 | E | 79.2 | Confident | 74.2 | Confident | 66 Ų | 66 | 84 Ų | 84 | 31% | 0.308 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 126 | 174.6 | -73 | 174.2 | -165.9 | 0 | 0 | 109.4 | V40 Y73 R74 S76 | V40-E42 HydrophobicContact CG1-CG 4.35Å; V40-E42 PolarHBondContact O-N 3.05Å; E42-Y73 WeakPolarHBondContact O-CA 3.06Å; E42-R74 HydrophobicContact CB-CG 4.39Å; E42-R74 PolarHBondContact N-O 3.13Å; E42-R74 PolarHBondContact O-N 3.38Å; E42-R74 IonicContact OE2-CZ 3.87Å; E42-R74 IonicContact OE2-NE 3.49Å; E42-R74 PolarHBondContact OE2-NE 2.82Å; E42-R74 IonicContact OE2-NH2 3.28Å; E42-R74 PolarHBondContact OE2-NH2 2.87Å; E42-S76 WeakPolarHBondContact OE1-CB 3.18Å; E42-S76 PolarHBondContact OE1-OG 3.11Å |
| 43 | S | 82.3 | Confident | 73.9 | Confident | 80 Ų | 80 | 88.8 Ų | 88.8 | 56% | 0.559 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 133.9 | 168.2 | 58.1 | 0 | 0 | 0 | 0 | 110.2 | A72 | S43-A72 CarbonylContact C-O 3.55Å; S43-A72 WeakPolarHBondContact CA-O 3.1Å |
| 44 | F | 83.2 | Confident | 73.8 | Confident | 79 Ų | 79 | 88.1 Ų | 88.1 | 35% | 0.346 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 157.4 | 173 | 72 | -81.6 | 0 | 0 | 0 | 110.8 | Q46 A72 R74 | F44-Q46 HydrophobicContact CD2-CB 4.46Å; F44-Q46 HydrophobicContact CE2-CB 3.88Å; F44-Q46 HydrophobicContact CE2-CG 4.36Å; F44-Q46 PolarHBondContact O-N 3.41Å; F44-A72 HydrophobicContact CD1-CB 4.21Å; F44-A72 VanDerWaalsContact CD1-O 3.31Å; F44-A72 WeakPolarHBondContact CD1-O 3.47Å; F44-A72 HydrophobicContact CE1-CB 3.62Å; F44-A72 HydrophobicContact CE2-CB 4Å; F44-A72 HydrophobicContact CZ-CB 3.5Å; F44-A72 PolarHBondContact N-O 3.11Å; F44-A72 PolarHBondContact O-N 3.21Å; F44-R74 HydrophobicContact CD1-CB 4.29Å; F44-R74 HydrophobicContact CD1-CG 4.02Å; F44-R74 HydrophobicContact CE1-CB 3.93Å; F44-R74 HydrophobicContact CE1-CG 4.15Å |
| 45 | V | 85.6 | Confident | 74.6 | Confident | 104 Ų | 104 | 91 Ų | 91 | 63% | 0.63 | 50% | 0.5 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 116.5 | 177.2 | -179.3 | 0 | 0 | 0 | 0 | 109 | Y69 | V45-Y69 HydrophobicContact CG1-CD1 3.7Å; V45-Y69 HydrophobicContact CG1-CG 4.15Å |
| 46 | Q | 85.4 | Confident | 75.5 | Confident | 94 Ų | 94 | 90.6 Ų | 90.6 | 44% | 0.439 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 128 | 175.6 | -173.5 | 175.1 | 7.4 | 0 | 0 | 110.5 | F44 V48 Y69 R70 A72 | F44-Q46 HydrophobicContact CD2-CB 4.46Å; F44-Q46 HydrophobicContact CE2-CB 3.88Å; F44-Q46 HydrophobicContact CE2-CG 4.36Å; F44-Q46 PolarHBondContact O-N 3.41Å; Q46-V48 HydrophobicContact CG-CG2 4.37Å; Q46-Y69 WeakPolarHBondContact O-CA 3.37Å; Q46-R70 PolarHBondContact N-O 3.28Å; Q46-R70 PolarHBondContact O-N 3.49Å; Q46-A72 HydrophobicContact CB-CB 3.73Å; Q46-A72 VanDerWaalsContact OE1-CB 3.27Å |
| 47 | R | 85.4 | Confident | 76.6 | Confident | 133 Ų | 133 | 88.6 Ų | 88.6 | 50% | 0.502 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 127 | 171.4 | -170.9 | -177.9 | -73.4 | 179.4 | -0.2 | 109.9 | Y49 T67 Y69 | R47-Y49 WeakPolarHBondContact CD-OH 3.49Å; R47-Y49 HydrophobicContact CG-CE1 4.37Å; R47-T67 HydrophobicContact CG-CG2 3.3Å; R47-Y69 HydrophobicContact CB-CD1 4.31Å; R47-Y69 HydrophobicContact CB-CE1 4.13Å; R47-Y69 HydrophobicContact CG-CE1 4.1Å; R47-Y69 PolarHBondContact NE-OH 3.48Å; R47-Y69 PolarHBondContact NH2-OH 3.35Å |
| 48 | V | 86 | Confident | 77.3 | Confident | 47 Ų | 47 | 89.1 Ų | 89.1 | 29% | 0.285 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 130.9 | 177.8 | -178.9 | 0 | 0 | 0 | 0 | 108.8 | Q46 I68 R70 | Q46-V48 HydrophobicContact CG-CG2 4.37Å; V48-I68 HydrophobicContact CB-CD1 4.34Å; V48-I68 HydrophobicContact CB-CG1 3.78Å; V48-I68 HydrophobicContact CG1-CD1 4.31Å; V48-I68 HydrophobicContact CG1-CG1 4.21Å; V48-I68 PolarHBondContact N-O 3.35Å; V48-I68 WeakPolarHBondContact O-CG1 3.31Å; V48-I68 PolarHBondContact O-N 3.08Å; V48-I68 VanDerWaalsContact O-O 3.1Å; V48-R70 HydrophobicContact CG2-CB 4.37Å; V48-R70 HydrophobicContact CG2-CG 4.4Å |
| 49 | Y | 83.5 | Confident | 77.3 | Confident | 126 Ų | 126 | 92.5 Ų | 92.5 | 49% | 0.494 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 114 | 176.2 | -58.5 | -73.9 | 0 | 0 | 0 | 109 | R47 P51 Y65 T67 | R47-Y49 WeakPolarHBondContact CD-OH 3.49Å; R47-Y49 HydrophobicContact CG-CE1 4.37Å; Y49-P51 WeakPolarHBondContact O-CD 3.39Å; Y49-Y65 AromaticContact CD1-CD2 3.59Å; Y49-Y65 HydrophobicContact CD1-CD2 3.59Å; Y49-Y65 AromaticContact CD1-CE2 3.77Å; Y49-Y65 HydrophobicContact CD1-CE2 3.77Å; Y49-Y65 HydrophobicContact CE1-CD2 4.32Å; Y49-Y65 HydrophobicContact CE1-CE2 4.03Å; Y49-Y65 HydrophobicContact CG-CD2 4.34Å; Y49-T67 HydrophobicContact CD1-CG2 4.43Å; Y49-T67 HydrophobicContact CE1-CG2 4.16Å; Y49-T67 WeakPolarHBondContact CE1-OG1 3.37Å |
| 50 | Q | 80.9 | Confident | 77.7 | Confident | 72 Ų | 72 | 95.7 Ų | 95.7 | 34% | 0.336 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 110.1 | 177.5 | -174.3 | 175.9 | 1.6 | 0 | 0 | 108.9 | Y65 R66 I68 | Q50-Y65 WeakPolarHBondContact O-CA 3.42Å; Q50-R66 HydrophobicContact CB-CG 4Å; Q50-R66 PolarHBondContact N-O 3.49Å; Q50-R66 PolarHBondContact O-N 3.17Å; Q50-R66 VanDerWaalsContact OE1-NE 3.1Å; Q50-I68 HydrophobicContact CB-CD1 4.26Å |
| 51 | P | 79.5 | Confident | 77.7 | Confident | 101 Ų | 101 | 95.4 Ų | 95.4 | 66% | 0.656 | 51% | 0.514 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74 | 145 | 176.6 | 31.1 | -33.8 | 0 | 0 | 0 | 110.1 | Y49 T64 | Y49-P51 WeakPolarHBondContact O-CD 3.39Å; P51-T64 WeakPolarHBondContact CA-O 3.37Å |
| 52 | F | 75.7 | Confident | 77.6 | Confident | 84 Ų | 84 | 93.3 Ų | 93.3 | 37% | 0.368 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 146.6 | 166.6 | 60.8 | -84.7 | 0 | 0 | 0 | 110 | T64 R66 | F52-T64 HydrophobicContact CD1-CG2 4.2Å; F52-T64 HydrophobicContact CD2-CG2 3.87Å; F52-T64 HydrophobicContact CE1-CG2 3.67Å; F52-T64 HydrophobicContact CE2-CG2 3.3Å; F52-T64 HydrophobicContact CG-CG2 4.3Å; F52-T64 HydrophobicContact CZ-CG2 3.2Å; F52-T64 PolarHBondContact N-O 3.45Å; F52-T64 PolarHBondContact O-N 3.18Å; F52-T64 VanDerWaalsContact O-N 3.1Å; F52-R66 HydrophobicContact CD1-CG 4.45Å; F52-R66 HydrophobicContact CE1-CB 4.08Å; F52-R66 HydrophobicContact CE1-CG 4.32Å |
| 53 | L | 73.4 | Confident | 77.3 | Confident | 128 Ų | 128 | 94.6 Ų | 94.6 | 67% | 0.67 | 52% | 0.516 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 124.2 | -176.4 | -81.1 | 150.6 | 0 | 0 | 0 | 108.1 | A61 C62 | L53-A61 HydrophobicContact CD2-CB 4.1Å; L53-C62 WeakPolarHBondContact CA-O 3.49Å |
| 54 | T | 73.5 | Confident | 77.1 | Confident | 56 Ų | 56 | 92.4 Ų | 92.4 | 34% | 0.344 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 119.7 | 169.8 | -49.2 | 0 | 0 | 0 | 0 | 107.7 | A61 C62 | T54-A61 WeakPolarHBondContact O-CA 3.48Å; T54-C62 PolarHBondContact N-O 2.79Å; T54-C62 PolarHBondContact O-N 3.17Å |
| 55 | T | 76.5 | Confident | 76.8 | Confident | 123 Ų | 123 | 95.7 Ų | 95.7 | 76% | 0.755 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 123.1 | 173.5 | 49.6 | 0 | 0 | 0 | 0 | 109.3 | ||
| 56 | C | 74.4 | Confident | 76.3 | Confident | 26 Ų | 26 | 95.3 Ų | 95.3 | 18% | 0.176 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 162.5 | 172.1 | -58.7 | 0 | 0 | 0 | 0 | 110.2 | R60 C269 | C56-R60 WeakPolarHBondContact CA-O 3.4Å; C56-R60 HydrophobicContact CB-CB 4.13Å; C56-R60 WeakPolarHBondContact CB-O 3.37Å; C56-R60 PolarHBondContact N-O 3.48Å; C56-C269 HydrophobicContact CB-CB 3.88Å; C56-C269 WeakPolarHBondContact CB-SG 3.42Å; C56-C269 WeakPolarHBondContact SG-CB 3.19Å; C56-C269 CovalentContact SG-SG 2.05Å; C56-C269 PolarHBondContact SG-SG 3.48Å |
| 57 | D | 76.8 | Confident | 76 | Confident | 132 Ų | 132 | 92.8 Ų | 92.8 | 71% | 0.706 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 140 | 173.5 | -67.6 | -38.1 | 0 | 0 | 0 | 111.8 | ||
| 58 | G | 71.7 | Confident | 75.7 | Confident | 61 Ų | 61 | 87.7 Ų | 87.7 | 63% | 0.629 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | 31.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | R60 | G58-R60 PolarHBondContact O-N 2.79Š|
| 59 | H | 58.3 | Low | 75.4 | Confident | 200 Ų | 200 | 91.8 Ų | 91.8 | 93% | 0.926 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 19.6 | 176.3 | -56.1 | 45.4 | 0 | 0 | 0 | 114.1 | ||
| 60 | R | 72 | Confident | 75.3 | Confident | 142 Ų | 142 | 93 Ų | 93 | 54% | 0.536 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 139.3 | 172.8 | -71.2 | -175.2 | -86.7 | -160.9 | -0.8 | 109.1 | C56 G58 D272 | C56-R60 WeakPolarHBondContact CA-O 3.4Å; C56-R60 HydrophobicContact CB-CB 4.13Å; C56-R60 WeakPolarHBondContact CB-O 3.37Å; C56-R60 PolarHBondContact N-O 3.48Å; G58-R60 PolarHBondContact O-N 2.79Å; R60-D272 IonicContact CZ-OD2 3.69Å; R60-D272 IonicContact NH1-OD2 2.97Å; R60-D272 PolarHBondContact NH1-OD2 3.37Å; R60-D272 IonicContact NH2-OD2 3.43Å; R60-D272 PolarHBondContact NH2-OD2 2.85Å |
| 61 | A | 71.2 | Confident | 75.4 | Confident | 69 Ų | 69 | 93.7 Ų | 93.7 | 57% | 0.57 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122 | 132.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | L53 T54 | L53-A61 HydrophobicContact CD2-CB 4.1Å; T54-A61 WeakPolarHBondContact O-CA 3.48Å |
| 62 | C | 76.3 | Confident | 75.7 | Confident | 37 Ų | 37 | 89.6 Ų | 89.6 | 25% | 0.25 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 118.9 | 168.6 | -153 | 0 | 0 | 0 | 0 | 108 | L53 T54 C267 | L53-C62 WeakPolarHBondContact CA-O 3.49Å; T54-C62 PolarHBondContact N-O 2.79Å; T54-C62 PolarHBondContact O-N 3.17Å; C62-C267 HydrophobicContact CB-CB 3.77Å; C62-C267 WeakPolarHBondContact CB-SG 3.47Å; C62-C267 WeakPolarHBondContact SG-CB 3.21Å; C62-C267 CovalentContact SG-SG 2.05Å; C62-C267 PolarHBondContact SG-SG 3.39Å |
| 63 | S | 72.9 | Confident | 76 | Confident | 93 Ų | 93 | 93.2 Ų | 93.2 | 65% | 0.65 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 130.5 | 169.5 | 58.3 | 0 | 0 | 0 | 0 | 109.5 | ||
| 64 | T | 77.3 | Confident | 76.5 | Confident | 33 Ų | 33 | 93.9 Ų | 93.9 | 20% | 0.202 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 171.9 | 169.4 | -175.9 | 0 | 0 | 0 | 0 | 108.6 | P51 F52 | P51-T64 WeakPolarHBondContact CA-O 3.37Å; F52-T64 HydrophobicContact CD1-CG2 4.2Å; F52-T64 HydrophobicContact CD2-CG2 3.87Å; F52-T64 HydrophobicContact CE1-CG2 3.67Å; F52-T64 HydrophobicContact CE2-CG2 3.3Å; F52-T64 HydrophobicContact CG-CG2 4.3Å; F52-T64 HydrophobicContact CZ-CG2 3.2Å; F52-T64 PolarHBondContact N-O 3.45Å; F52-T64 PolarHBondContact O-N 3.18Å; F52-T64 VanDerWaalsContact O-N 3.1Å |
| 65 | Y | 76.1 | Confident | 76.8 | Confident | 149 Ų | 149 | 101 Ų | 101 | 58% | 0.584 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 144.1 | 178.6 | 62.5 | -90.7 | 0 | 0 | 0 | 110.1 | Y49 Q50 | Y49-Y65 AromaticContact CD1-CD2 3.59Å; Y49-Y65 HydrophobicContact CD1-CD2 3.59Å; Y49-Y65 AromaticContact CD1-CE2 3.77Å; Y49-Y65 HydrophobicContact CD1-CE2 3.77Å; Y49-Y65 HydrophobicContact CE1-CD2 4.32Å; Y49-Y65 HydrophobicContact CE1-CE2 4.03Å; Y49-Y65 HydrophobicContact CG-CD2 4.34Å; Q50-Y65 WeakPolarHBondContact O-CA 3.42Å |
| 66 | R | 76.7 | Confident | 76.5 | Confident | 96 Ų | 96 | 95.9 Ų | 95.9 | 36% | 0.362 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 142.9 | 165 | 63.8 | 177.1 | -172.3 | -176.4 | 4.3 | 110 | Q50 F52 I68 | Q50-R66 HydrophobicContact CB-CG 4Å; Q50-R66 PolarHBondContact N-O 3.49Å; Q50-R66 PolarHBondContact O-N 3.17Å; Q50-R66 VanDerWaalsContact OE1-NE 3.1Å; F52-R66 HydrophobicContact CD1-CG 4.45Å; F52-R66 HydrophobicContact CE1-CB 4.08Å; F52-R66 HydrophobicContact CE1-CG 4.32Å; R66-I68 HydrophobicContact CG-CG2 4.07Å |
| 67 | T | 78.3 | Confident | 76 | Confident | 40 Ų | 40 | 100.5 Ų | 100.5 | 25% | 0.245 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 113.9 | 174.8 | -57.5 | 0 | 0 | 0 | 0 | 108 | R47 Y49 Y69 | R47-T67 HydrophobicContact CG-CG2 3.3Å; Y49-T67 HydrophobicContact CD1-CG2 4.43Å; Y49-T67 HydrophobicContact CE1-CG2 4.16Å; Y49-T67 WeakPolarHBondContact CE1-OG1 3.37Å; T67-Y69 HydrophobicContact CG2-CE2 4.14Å |
| 68 | I | 78.2 | Confident | 75.1 | Confident | 26 Ų | 26 | 95.2 Ų | 95.2 | 13% | 0.133 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 143.2 | 172.5 | 67.7 | 179 | 0 | 0 | 0 | 109.2 | V48 Q50 R66 R70 | V48-I68 HydrophobicContact CB-CD1 4.34Å; V48-I68 HydrophobicContact CB-CG1 3.78Å; V48-I68 HydrophobicContact CG1-CD1 4.31Å; V48-I68 HydrophobicContact CG1-CG1 4.21Å; V48-I68 PolarHBondContact N-O 3.35Å; V48-I68 WeakPolarHBondContact O-CG1 3.31Å; V48-I68 PolarHBondContact O-N 3.08Å; V48-I68 VanDerWaalsContact O-O 3.1Å; Q50-I68 HydrophobicContact CB-CD1 4.26Å; R66-I68 HydrophobicContact CG-CG2 4.07Å; I68-R70 HydrophobicContact CD1-CG 4.35Å; I68-R70 VanDerWaalsContact CD1-NE 3.34Å; I68-R70 HydrophobicContact CG1-CG 4.44Å |
| 69 | Y | 79.9 | Confident | 74.4 | Confident | 133 Ų | 133 | 100.1 Ų | 100.1 | 52% | 0.522 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 123.7 | 175.1 | -66 | -83.6 | 0 | 0 | 0 | 108.3 | V45 Q46 R47 T67 | V45-Y69 HydrophobicContact CG1-CD1 3.7Å; V45-Y69 HydrophobicContact CG1-CG 4.15Å; Q46-Y69 WeakPolarHBondContact O-CA 3.37Å; R47-Y69 HydrophobicContact CB-CD1 4.31Å; R47-Y69 HydrophobicContact CB-CE1 4.13Å; R47-Y69 HydrophobicContact CG-CE1 4.1Å; R47-Y69 PolarHBondContact NE-OH 3.48Å; R47-Y69 PolarHBondContact NH2-OH 3.35Å; T67-Y69 HydrophobicContact CG2-CE2 4.14Å |
| 70 | R | 81.8 | Confident | 74.3 | Confident | 151 Ų | 151 | 95 Ų | 95 | 57% | 0.57 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 141.6 | 178.2 | -68.7 | -171.3 | 173.8 | -173.5 | -0.7 | 110.1 | Q46 V48 I68 A72 | Q46-R70 PolarHBondContact N-O 3.28Å; Q46-R70 PolarHBondContact O-N 3.49Å; V48-R70 HydrophobicContact CG2-CB 4.37Å; V48-R70 HydrophobicContact CG2-CG 4.4Å; I68-R70 HydrophobicContact CD1-CG 4.35Å; I68-R70 VanDerWaalsContact CD1-NE 3.34Å; I68-R70 HydrophobicContact CG1-CG 4.44Å; R70-A72 PolarHBondContact O-N 3.36Å |
| 71 | T | 83.1 | Confident | 73.5 | Confident | 88 Ų | 88 | 92.9 Ų | 92.9 | 54% | 0.54 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 121.2 | 172.5 | -49.8 | 0 | 0 | 0 | 0 | 109.1 | Y73 | T71-Y73 HydrophobicContact CG2-CE2 4.43Å |
| 72 | A | 84.8 | Confident | 72.9 | Confident | 14 Ų | 14 | 92.8 Ų | 92.8 | 12% | 0.116 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 159.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110 | S43 F44 Q46 R70 | S43-A72 CarbonylContact C-O 3.55Å; S43-A72 WeakPolarHBondContact CA-O 3.1Å; F44-A72 HydrophobicContact CD1-CB 4.21Å; F44-A72 VanDerWaalsContact CD1-O 3.31Å; F44-A72 WeakPolarHBondContact CD1-O 3.47Å; F44-A72 HydrophobicContact CE1-CB 3.62Å; F44-A72 HydrophobicContact CE2-CB 4Å; F44-A72 HydrophobicContact CZ-CB 3.5Å; F44-A72 PolarHBondContact N-O 3.11Å; F44-A72 PolarHBondContact O-N 3.21Å; Q46-A72 HydrophobicContact CB-CB 3.73Å; Q46-A72 VanDerWaalsContact OE1-CB 3.27Å; R70-A72 PolarHBondContact O-N 3.36Å |
| 73 | Y | 83.5 | Confident | 72.2 | Confident | 160 Ų | 160 | 101.9 Ų | 101.9 | 63% | 0.627 | 51% | 0.508 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 132.4 | -176.8 | -61.5 | -91.2 | 0 | 0 | 0 | 109.4 | E42 T71 | E42-Y73 WeakPolarHBondContact O-CA 3.06Å; T71-Y73 HydrophobicContact CG2-CE2 4.43Å |
| 74 | R | 82.4 | Confident | 71.8 | Confident | 143 Ų | 143 | 100.5 Ų | 100.5 | 54% | 0.54 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 150.7 | 169.2 | 67.6 | -178.3 | -173.5 | -174.5 | 0.5 | 109.6 | E42 F44 | E42-R74 HydrophobicContact CB-CG 4.39Å; E42-R74 PolarHBondContact N-O 3.13Å; E42-R74 PolarHBondContact O-N 3.38Å; E42-R74 IonicContact OE2-CZ 3.87Å; E42-R74 IonicContact OE2-NE 3.49Å; E42-R74 PolarHBondContact OE2-NE 2.82Å; E42-R74 IonicContact OE2-NH2 3.28Å; E42-R74 PolarHBondContact OE2-NH2 2.87Å; F44-R74 HydrophobicContact CD1-CB 4.29Å; F44-R74 HydrophobicContact CD1-CG 4.02Å; F44-R74 HydrophobicContact CE1-CB 3.93Å; F44-R74 HydrophobicContact CE1-CG 4.15Å |
| 75 | R | 81.6 | Confident | 71.6 | Confident | 204 Ų | 204 | 108.1 Ų | 108.1 | 77% | 0.77 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 108.7 | 169.1 | -66.2 | -174.5 | -177.8 | -163.3 | 0.1 | 107.4 | P39 | P39-R75 HydrophobicContact CB-CB 4.36Å |
| 76 | S | 69.3 | Low | 71.8 | Confident | 17 Ų | 17 | 107.7 Ų | 107.7 | 12% | 0.119 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 142.5 | 165.5 | 51.5 | 0 | 0 | 0 | 0 | 108.2 | V40 E42 G78 | V40-S76 PolarHBondContact N-O 2.82Å; V40-S76 PolarHBondContact O-N 2.92Å; V40-S76 PolarHBondContact O-OG 3.19Å; E42-S76 WeakPolarHBondContact OE1-CB 3.18Å; E42-S76 PolarHBondContact OE1-OG 3.11Å; S76-G78 PolarHBondContact O-N 2.84Å |
| 77 | P | 63.6 | Low | 72.2 | Confident | 123 Ų | 123 | 105.2 Ų | 105.2 | 80% | 0.799 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 116.6 | 159.8 | -15.2 | 27.9 | 0 | 0 | 0 | 105.5 | L79 | P77-L79 PolarHBondContact O-N 3.36Š|
| 78 | G | 58.8 | Low | 72.7 | Confident | 20 Ų | 20 | 104.8 Ų | 104.8 | 21% | 0.206 | 52% | 0.518 | C | S | . | . | P | Polyproline II helix | trans | -49.6 | 140.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | S76 A80 | S76-G78 PolarHBondContact O-N 2.84Å; G78-A80 PolarHBondContact O-N 3.49Å |
| 79 | L | 57.2 | Low | 73.2 | Confident | 165 Ų | 165 | 104.1 Ų | 104.1 | 86% | 0.864 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -42.2 | 129.7 | 175.4 | -80.9 | 123.1 | 0 | 0 | 0 | 109.7 | P77 | P77-L79 PolarHBondContact O-N 3.36Š|
| 80 | A | 55.6 | Low | 73.7 | Confident | 93 Ų | 93 | 102.9 Ų | 102.9 | 77% | 0.769 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -49.5 | 155.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G78 | G78-A80 PolarHBondContact O-N 3.49Š|
| 81 | P | 54.1 | Low | 74.1 | Confident | 96 Ų | 96 | 96.8 Ų | 96.8 | 62% | 0.623 | 51% | 0.508 | S | S | * | . | -62.5 | 139.7 | -123 | 32.8 | -30.2 | 0 | 0 | 0 | 112.4 | R83 | P81-R83 PolarHBondContact O-N 2.98Š| |||
| 82 | A | 59.4 | Low | 74.5 | Confident | 67 Ų | 67 | 94.2 Ų | 94.2 | 55% | 0.554 | 49% | 0.488 | S | S | * | . | trans | -43.7 | 130.6 | 155.1 | 0 | 0 | 0 | 0 | 0 | 108 | A35 | A35-A82 HydrophobicContact CB-CB 4.22Š| ||
| 83 | R | 61.5 | Low | 74.8 | Confident | 229 Ų | 229 | 99.2 Ų | 99.2 | 86% | 0.864 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -32.7 | 130.3 | -179.8 | -68.7 | 178.3 | 174.3 | -166.9 | -1.8 | 110.5 | P81 R85 | P81-R83 PolarHBondContact O-N 2.98Å; R83-R85 PolarHBondContact O-N 3.19Å |
| 84 | P | 64.8 | Low | 75 | Confident | 64 Ų | 64 | 99.9 Ų | 99.9 | 42% | 0.416 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -52.2 | 122 | -173.8 | 20.3 | -32.2 | 0 | 0 | 0 | 109.4 | A32 Y86 | A32-P84 HydrophobicContact CB-CB 4.44Å; P84-Y86 HydrophobicContact CG-CE2 4.33Å; P84-Y86 WeakPolarHBondContact O-CD2 3.43Å; P84-Y86 WeakPolarHBondContact O-CE2 3.37Å; P84-Y86 PolarHBondContact O-N 3.48Å |
| 85 | R | 73.5 | Confident | 75.1 | Confident | 193 Ų | 193 | 95.3 Ų | 95.3 | 73% | 0.728 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 125.1 | 176.2 | -72.6 | -173.9 | 176.5 | -124.9 | 2.8 | 107.1 | V33 R83 | V33-R85 PolarHBondContact N-O 3.06Å; R83-R85 PolarHBondContact O-N 3.19Å |
| 86 | Y | 79.5 | Confident | 75.1 | Confident | 140 Ų | 140 | 91.1 Ų | 91.1 | 55% | 0.549 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 123.7 | 177.2 | -66.3 | -70.3 | 0 | 0 | 0 | 109.5 | V30 A32 P84 | V30-Y86 HydrophobicContact CG1-CD1 3.9Å; V30-Y86 HydrophobicContact CG1-CG 4.12Å; A32-Y86 HydrophobicContact CB-CE1 4.32Å; P84-Y86 HydrophobicContact CG-CE2 4.33Å; P84-Y86 WeakPolarHBondContact O-CD2 3.43Å; P84-Y86 WeakPolarHBondContact O-CE2 3.37Å; P84-Y86 PolarHBondContact O-N 3.48Å |
| 87 | A | 85.7 | Confident | 75.3 | Confident | 43 Ų | 43 | 94.1 Ų | 94.1 | 36% | 0.355 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 168.3 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | V30 C31 V33 | V30-A87 CarbonylContact C-O 3.16Å; V30-A87 WeakPolarHBondContact CA-O 3.47Å; C31-A87 PolarHBondContact N-O 3.48Å; C31-A87 PolarHBondContact O-N 3.44Å; V33-A87 HydrophobicContact CG2-CB 3.53Å |
| 88 | C | 88.4 | Confident | 75.8 | Confident | 32 Ų | 32 | 93.4 Ų | 93.4 | 22% | 0.216 | 52% | 0.521 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 139.6 | 169.5 | -61.2 | 0 | 0 | 0 | 0 | 109.6 | W92 C102 | C88-W92 HydrophobicContact CB-CB 4.21Å; C88-W92 WeakPolarHBondContact CB-O 3.43Å; C88-C102 WeakPolarHBondContact CA-SG 3.49Å; C88-C102 HydrophobicContact CB-CB 3.6Å; C88-C102 WeakPolarHBondContact CB-SG 3.44Å; C88-C102 WeakPolarHBondContact SG-CB 3.38Å; C88-C102 CovalentContact SG-SG 2.04Å; C88-C102 PolarHBondContact SG-SG 3.37Å |
| 89 | C | 89.3 | Confident | 76.2 | Confident | 12 Ų | 12 | 98.8 Ų | 98.8 | 8% | 0.081 | 55% | 0.552 | C | S | . | * | P | Polyproline II helix | trans | -60.4 | 155.5 | 174.9 | -66.3 | 0 | 0 | 0 | 0 | 111 | R29 C31 G91 W92 | R29-C89 VanDerWaalsContact C-SG 3.57Å; R29-C89 PolarHBondContact O-N 3.38Å; C31-C89 HydrophobicContact CB-CB 4.08Å; C31-C89 WeakPolarHBondContact CB-SG 3.5Å; C31-C89 PolarHBondContact N-SG 3.48Å; C31-C89 VanDerWaalsContact SG-CA 3.51Å; C31-C89 WeakPolarHBondContact SG-CB 3.5Å; C31-C89 CovalentContact SG-SG 2.05Å; C31-C89 PolarHBondContact SG-SG 3Å; C89-G91 PolarHBondContact O-N 3.01Å; C89-W92 WeakPolarHBondContact O-CB 3.33Å; C89-W92 PolarHBondContact O-N 3.49Å |
| 90 | P | 89.6 | Confident | 76.8 | Confident | 106 Ų | 106 | 92.9 Ų | 92.9 | 69% | 0.688 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.1 | 131.1 | 177.8 | -28.7 | 35.5 | 0 | 0 | 0 | 112.2 | ||
| 91 | G | 91 | Very high | 78 | Confident | 24 Ų | 24 | 89.9 Ų | 89.9 | 25% | 0.247 | 51% | 0.507 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | 0.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | C89 I106 P120 | C89-G91 PolarHBondContact O-N 3.01Å; G91-I106 WeakPolarHBondContact O-CB 3.42Å; G91-I106 PolarHBondContact O-N 2.86Å; G91-P120 WeakPolarHBondContact O-CG 3.48Å |
| 92 | W | 90.9 | Very high | 79.6 | Confident | 33 Ų | 33 | 85.7 Ų | 85.7 | 13% | 0.125 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 144.4 | 177.7 | -62.4 | 87 | 0 | 0 | 0 | 111.8 | R29 C88 C89 C102 G103 A104 A105 I106 P120 | R29-W92 HydrophobicContact CB-CD2 4.39Å; R29-W92 HydrophobicContact CB-CG 4.22Å; R29-W92 VanDerWaalsContact CD-CE2 3.47Å; R29-W92 HydrophobicContact CG-CD2 4.45Å; C88-W92 HydrophobicContact CB-CB 4.21Å; C88-W92 WeakPolarHBondContact CB-O 3.43Å; C89-W92 WeakPolarHBondContact O-CB 3.33Å; C89-W92 PolarHBondContact O-N 3.49Å; W92-C102 HydrophobicContact CB-CB 4.43Å; W92-G103 WeakPolarHBondContact CZ3-O 3.03Å; W92-A104 CarbonylContact C-O 3.58Å; W92-A104 WeakPolarHBondContact CA-O 3.5Å; W92-A105 HydrophobicContact CE3-CB 4.37Å; W92-A105 HydrophobicContact CH2-CB 4.1Å; W92-A105 HydrophobicContact CZ3-CB 3.96Å; W92-I106 WeakPolarHBondContact O-CD1 3.37Å; W92-P120 VanDerWaalsContact CZ2-CD 3.44Å; W92-P120 HydrophobicContact CZ2-CG 3.92Å |
| 93 | K | 90.1 | Very high | 80.9 | Confident | 119 Ų | 119 | 84.4 Ų | 84.4 | 52% | 0.517 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 167.4 | 172.9 | 68.8 | -176.8 | 178.1 | 178.2 | 0 | 110.4 | C102 G103 A104 I106 | K93-C102 CarbonylContact O-C 3.57Å; K93-C102 WeakPolarHBondContact O-CA 3.47Å; K93-G103 PolarHBondContact O-N 3.02Å; K93-A104 HydrophobicContact CD-CB 4.39Å; K93-A104 HydrophobicContact CG-CB 3.6Å; K93-A104 WeakPolarHBondContact CG-O 3.36Å; K93-A104 PolarHBondContact N-O 3.48Å; K93-A104 PolarHBondContact O-N 3.02Å; K93-I106 HydrophobicContact CB-CD1 4.06Å; K93-I106 HydrophobicContact CB-CG1 3.93Å; K93-I106 HydrophobicContact CD-CG1 4.23Å; K93-I106 HydrophobicContact CG-CG1 4.1Å |
| 94 | R | 88.6 | Confident | 82.3 | Confident | 175 Ų | 175 | 74.7 Ų | 74.7 | 66% | 0.66 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 138.7 | 177.4 | -65.5 | -176.4 | 178.3 | -170.3 | 0.1 | 110.5 | A101 | R94-A101 CarbonylContact C-O 3.38Å; R94-A101 VanDerWaalsContact CA-O 3.31Å; R94-A101 WeakPolarHBondContact CA-O 3.34Å |
| 95 | T | 85.7 | Confident | 83.6 | Confident | 46 Ų | 46 | 72.1 Ų | 72.1 | 28% | 0.282 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 132.6 | 172.2 | -47.1 | 0 | 0 | 0 | 0 | 109.2 | G97 L98 A101 G103 | T95-G97 PolarHBondContact O-N 3.47Å; T95-L98 PolarHBondContact O-N 3.28Å; T95-A101 PolarHBondContact N-O 2.98Å; T95-A101 PolarHBondContact OG1-O 3.48Å; T95-G103 WeakPolarHBondContact OG1-CA 3.43Å; T95-G103 PolarHBondContact OG1-N 3.47Å; T95-G103 VanDerWaalsContact OG1-N 3.1Å |
| 96 | S | 79.6 | Confident | 84.5 | Confident | 117 Ų | 117 | 65.8 Ų | 65.8 | 82% | 0.818 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 130.2 | 172.1 | 42.9 | 0 | 0 | 0 | 0 | 109.9 | ||
| 97 | G | 75.4 | Confident | 85.2 | Confident | 79 Ų | 79 | 60 Ų | 60 | 81% | 0.814 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.8 | -6.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | T95 | T95-G97 PolarHBondContact O-N 3.47Š|
| 98 | L | 73.3 | Confident | 85.6 | Confident | 108 Ų | 108 | 66 Ų | 66 | 57% | 0.565 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -128.3 | 100.5 | 176.1 | -83.8 | 154.9 | 0 | 0 | 0 | 110.9 | T95 G100 A101 | T95-L98 PolarHBondContact O-N 3.28Å; L98-G100 PolarHBondContact O-N 3.49Å; L98-G100 VanDerWaalsContact O-N 3.14Å; L98-A101 HydrophobicContact CB-CB 3.95Å; L98-A101 PolarHBondContact O-N 2.66Å |
| 99 | P | 67.1 | Low | 85.9 | Confident | 133 Ų | 133 | 68.3 Ų | 68.3 | 86% | 0.864 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 117.6 | 179 | 15.2 | -17.8 | 0 | 0 | 0 | 110.8 | ||
| 100 | G | 69.8 | Low | 86.1 | Confident | 41 Ų | 41 | 72 Ų | 72 | 42% | 0.423 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.3 | -0.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | L98 | L98-G100 PolarHBondContact O-N 3.49Å; L98-G100 VanDerWaalsContact O-N 3.14Å |
| 101 | A | 81.3 | Confident | 86.5 | Confident | 31 Ų | 31 | 68.2 Ų | 68.2 | 26% | 0.256 | 42% | 0.42 | S | S | . | . | trans | -92.3 | 119.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | R94 T95 L98 G103 | R94-A101 CarbonylContact C-O 3.38Å; R94-A101 VanDerWaalsContact CA-O 3.31Å; R94-A101 WeakPolarHBondContact CA-O 3.34Å; T95-A101 PolarHBondContact N-O 2.98Å; T95-A101 PolarHBondContact OG1-O 3.48Å; L98-A101 HydrophobicContact CB-CB 3.95Å; L98-A101 PolarHBondContact O-N 2.66Å; A101-G103 VanDerWaalsContact C-N 3.32Å; A101-G103 PolarHBondContact O-N 3.21Å | ||
| 102 | C | 88 | Confident | 86.7 | Confident | 7 Ų | 7 | 74.5 Ų | 74.5 | 5% | 0.047 | 44% | 0.437 | C | S | . | . | trans | -91.4 | 62.8 | 176.1 | -63.7 | 0 | 0 | 0 | 0 | 110.8 | R28 R29 V30 C88 W92 K93 | R28-C102 WeakPolarHBondContact O-CB 3.48Å; R29-C102 HydrophobicContact CB-CB 4.26Å; R29-C102 WeakPolarHBondContact CB-O 3.02Å; R29-C102 WeakPolarHBondContact CD-O 3.08Å; R29-C102 VanDerWaalsContact O-CB 3.28Å; R29-C102 WeakPolarHBondContact O-CB 3.02Å; V30-C102 HydrophobicContact CG2-CB 4.47Å; C88-C102 WeakPolarHBondContact CA-SG 3.49Å; C88-C102 HydrophobicContact CB-CB 3.6Å; C88-C102 WeakPolarHBondContact CB-SG 3.44Å; C88-C102 WeakPolarHBondContact SG-CB 3.38Å; C88-C102 CovalentContact SG-SG 2.04Å; C88-C102 PolarHBondContact SG-SG 3.37Å; W92-C102 HydrophobicContact CB-CB 4.43Å; K93-C102 CarbonylContact O-C 3.57Å; K93-C102 WeakPolarHBondContact O-CA 3.47Å | ||
| 103 | G | 86.6 | Confident | 87 | Confident | 40 Ų | 40 | 76.2 Ų | 76.2 | 41% | 0.412 | 45% | 0.448 | S | S | . | . | trans | -99.4 | -11 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | W92 K93 T95 A101 | W92-G103 WeakPolarHBondContact CZ3-O 3.03Å; K93-G103 PolarHBondContact O-N 3.02Å; T95-G103 WeakPolarHBondContact OG1-CA 3.43Å; T95-G103 PolarHBondContact OG1-N 3.47Å; T95-G103 VanDerWaalsContact OG1-N 3.1Å; A101-G103 VanDerWaalsContact C-N 3.32Å; A101-G103 PolarHBondContact O-N 3.21Å | ||
| 104 | A | 89.4 | Confident | 87.2 | Confident | 26 Ų | 26 | 73.8 Ų | 73.8 | 22% | 0.215 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 126.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | W92 K93 | W92-A104 CarbonylContact C-O 3.58Å; W92-A104 WeakPolarHBondContact CA-O 3.5Å; K93-A104 HydrophobicContact CD-CB 4.39Å; K93-A104 HydrophobicContact CG-CB 3.6Å; K93-A104 WeakPolarHBondContact CG-O 3.36Å; K93-A104 PolarHBondContact N-O 3.48Å; K93-A104 PolarHBondContact O-N 3.02Å |
| 105 | A | 92.3 | Very high | 87.6 | Confident | 10 Ų | 10 | 66.2 Ų | 66.2 | 8% | 0.083 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 152.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | W92 C117 | W92-A105 HydrophobicContact CE3-CB 4.37Å; W92-A105 HydrophobicContact CH2-CB 4.1Å; W92-A105 HydrophobicContact CZ3-CB 3.96Å; A105-C117 VanDerWaalsContact CB-SG 3.56Å |
| 106 | I | 93.4 | Very high | 88 | Confident | 60 Ų | 60 | 66.5 Ų | 66.5 | 31% | 0.308 | 44% | 0.437 | S | S | . | . | trans | -106.4 | 119.8 | 173.7 | -56.5 | 173.4 | 0 | 0 | 0 | 107.9 | G91 W92 K93 Q108 C117 P120 G121 | G91-I106 WeakPolarHBondContact O-CB 3.42Å; G91-I106 PolarHBondContact O-N 2.86Å; W92-I106 WeakPolarHBondContact O-CD1 3.37Å; K93-I106 HydrophobicContact CB-CD1 4.06Å; K93-I106 HydrophobicContact CB-CG1 3.93Å; K93-I106 HydrophobicContact CD-CG1 4.23Å; K93-I106 HydrophobicContact CG-CG1 4.1Å; I106-Q108 HydrophobicContact CG2-CG 4.18Å; I106-C117 VanDerWaalsContact C-SG 3.6Å; I106-P120 WeakPolarHBondContact O-CA 3.09Å; I106-G121 PolarHBondContact O-N 3.02Å; I106-G121 VanDerWaalsContact O-N 3.13Å | ||
| 107 | C | 94.6 | Very high | 88.8 | Confident | 17 Ų | 17 | 63 Ų | 63 | 12% | 0.115 | 41% | 0.413 | C | S | . | . | trans | -111.3 | 121.7 | 171.2 | -68.6 | 0 | 0 | 0 | 0 | 108.1 | P109 C117 Q119 | C107-P109 CarbonylContact C-O 3.41Å; C107-P109 CarbonylContact O-C 3.58Å; C107-C117 HydrophobicContact CB-CB 3.89Å; C107-C117 WeakPolarHBondContact CB-SG 3.42Å; C107-C117 PolarHBondContact N-SG 3.3Å; C107-C117 WeakPolarHBondContact SG-CB 3.46Å; C107-C117 CovalentContact SG-SG 2.04Å; C107-C117 PolarHBondContact SG-SG 3.49Å; C107-Q119 PolarHBondContact SG-O 3.46Å | ||
| 108 | Q | 93.7 | Very high | 89.6 | Confident | 170 Ų | 170 | 62.6 Ų | 62.6 | 79% | 0.794 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -129.4 | 111.6 | 172.1 | -74.1 | -174.3 | -14.4 | 0 | 0 | 107.4 | I106 | I106-Q108 HydrophobicContact CG2-CG 4.18Š|
| 109 | P | 93.9 | Very high | 90.5 | Very high | 81 Ų | 81 | 61.7 Ų | 61.7 | 53% | 0.526 | 38% | 0.384 | S | S | . | . | S | Bend | cis | -64.9 | 159.9 | 0.9 | -7.6 | 21.6 | 0 | 0 | 0 | 113.1 | C107 T133 | C107-P109 CarbonylContact C-O 3.41Å; C107-P109 CarbonylContact O-C 3.58Å; P109-T133 HydrophobicContact CB-CG2 4.14Å; P109-T133 HydrophobicContact CG-CG2 4.01Å |
| 110 | P | 94.9 | Very high | 91.7 | Very high | 89 Ų | 89 | 58 Ų | 58 | 58% | 0.578 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 150.2 | 174.4 | 29.1 | -34.7 | 0 | 0 | 0 | 111.1 | R112 | P110-R112 PolarHBondContact O-N 3.12Š|
| 111 | C | 96.7 | Very high | 92.7 | Very high | 26 Ų | 26 | 58.6 Ų | 58.6 | 18% | 0.176 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -63 | 130.2 | 173 | -48.3 | 0 | 0 | 0 | 0 | 110.1 | G115 C123 | C111-G115 WeakPolarHBondContact CB-O 3.37Å; C111-C123 WeakPolarHBondContact CA-SG 3.49Å; C111-C123 HydrophobicContact CB-CB 3.78Å; C111-C123 WeakPolarHBondContact CB-SG 3.42Å; C111-C123 VanDerWaalsContact SG-CA 3.56Å; C111-C123 WeakPolarHBondContact SG-CB 3.46Å; C111-C123 CovalentContact SG-SG 2.02Å; C111-C123 PolarHBondContact SG-SG 3.49Å |
| 112 | R | 96.4 | Very high | 93.3 | Very high | 156 Ų | 156 | 64.1 Ų | 64.1 | 59% | 0.589 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -93.8 | 173.2 | 179.8 | -61.8 | -171.5 | 174.2 | -146.8 | -0.9 | 111.1 | P110 G114 G115 T133 C134 | P110-R112 PolarHBondContact O-N 3.12Å; R112-G114 VanDerWaalsContact C-N 3.26Å; R112-G114 PolarHBondContact O-N 3.36Å; R112-G114 VanDerWaalsContact O-N 3.09Å; R112-G115 PolarHBondContact O-N 3.32Å; R112-T133 PolarHBondContact N-O 2.96Å; R112-C134 WeakPolarHBondContact O-CB 3.46Å |
| 113 | N | 96.6 | Very high | 93.7 | Very high | 69 Ų | 69 | 64.7 Ų | 64.7 | 37% | 0.369 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 38.5 | 170.3 | -56.1 | -43.2 | 0 | 0 | 0 | 114.8 | G115 P126 W129 C134 | N113-G115 VanDerWaalsContact C-N 3.33Å; N113-G115 PolarHBondContact O-N 3.14Å; N113-P126 WeakPolarHBondContact O-CG 3.06Å; N113-W129 HydrophobicContact CB-CD2 3.46Å; N113-W129 VanDerWaalsContact CB-CD2 3.46Å; N113-W129 VanDerWaalsContact CB-CE2 3.45Å; N113-W129 HydrophobicContact CB-CE3 3.89Å; N113-W129 HydrophobicContact CB-CG 3.85Å; N113-W129 HydrophobicContact CB-CH2 4.23Å; N113-W129 HydrophobicContact CB-CZ2 3.84Å; N113-W129 HydrophobicContact CB-CZ3 4.27Å; N113-W129 VanDerWaalsContact CG-CH2 3.5Å; N113-W129 WeakPolarHBondContact ND2-CH2 3.4Å; N113-W129 WeakPolarHBondContact ND2-CZ3 3.15Å; N113-C134 PolarHBondContact ND2-O 3.35Å |
| 114 | G | 94.8 | Very high | 94.2 | Very high | 68 Ų | 68 | 70.1 Ų | 70.1 | 70% | 0.701 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.1 | 9.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | R112 | R112-G114 VanDerWaalsContact C-N 3.26Å; R112-G114 PolarHBondContact O-N 3.36Å; R112-G114 VanDerWaalsContact O-N 3.09Å |
| 115 | G | 96 | Very high | 94.6 | Very high | 16 Ų | 16 | 70.8 Ų | 70.8 | 17% | 0.165 | 39% | 0.394 | C | S | . | . | trans | -60.8 | 144.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | C111 R112 N113 R124 | C111-G115 WeakPolarHBondContact CB-O 3.37Å; R112-G115 PolarHBondContact O-N 3.32Å; N113-G115 VanDerWaalsContact C-N 3.33Å; N113-G115 PolarHBondContact O-N 3.14Å; G115-R124 WeakPolarHBondContact CA-O 3.33Å | ||
| 116 | S | 95.4 | Very high | 94.8 | Very high | 52 Ų | 52 | 72.7 Ų | 72.7 | 36% | 0.364 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 130.2 | 177.4 | -61 | 0 | 0 | 0 | 0 | 111.3 | I118 R124 | S116-I118 PolarHBondContact O-N 3.21Å; S116-R124 PolarHBondContact N-O 2.92Å; S116-R124 PolarHBondContact O-N 3.39Å |
| 117 | C | 94.9 | Very high | 94.8 | Very high | 45 Ų | 45 | 74.3 Ų | 74.3 | 30% | 0.304 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 107.5 | 174.2 | -172.5 | 0 | 0 | 0 | 0 | 110.2 | A105 I106 C107 | A105-C117 VanDerWaalsContact CB-SG 3.56Å; I106-C117 VanDerWaalsContact C-SG 3.6Å; C107-C117 HydrophobicContact CB-CB 3.89Å; C107-C117 WeakPolarHBondContact CB-SG 3.42Å; C107-C117 PolarHBondContact N-SG 3.3Å; C107-C117 WeakPolarHBondContact SG-CB 3.46Å; C107-C117 CovalentContact SG-SG 2.04Å; C107-C117 PolarHBondContact SG-SG 3.49Å |
| 118 | I | 92.8 | Very high | 94.8 | Very high | 69 Ų | 69 | 74 Ų | 74 | 35% | 0.354 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | -29.5 | -174.1 | 54.5 | 162.8 | 0 | 0 | 0 | 112.9 | S116 R122 R124 | S116-I118 PolarHBondContact O-N 3.21Å; I118-R122 HydrophobicContact CD1-CG 4.22Å; I118-R122 HydrophobicContact CG1-CB 4.47Å; I118-R122 HydrophobicContact CG1-CG 4.19Å; I118-R122 VanDerWaalsContact CG1-O 3.32Å; I118-R122 WeakPolarHBondContact CG1-O 3.4Å; I118-R122 PolarHBondContact N-O 3.45Å; I118-R124 HydrophobicContact CD1-CB 4.14Å; I118-R124 HydrophobicContact CG1-CB 4.24Å; I118-R124 HydrophobicContact CG2-CB 3.63Å |
| 119 | Q | 91.5 | Very high | 94.9 | Very high | 89 Ų | 89 | 68.3 Ų | 68.3 | 42% | 0.416 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 163 | 175.5 | -61.8 | -179.3 | -86 | 0 | 0 | 108.8 | C107 G121 R122 | C107-Q119 PolarHBondContact SG-O 3.46Å; Q119-G121 PolarHBondContact O-N 3.46Å; Q119-G121 VanDerWaalsContact O-N 3.1Å; Q119-R122 HydrophobicContact CB-CB 3.99Å; Q119-R122 PolarHBondContact N-O 3.24Å; Q119-R122 PolarHBondContact O-N 3.21Å |
| 120 | P | 92 | Very high | 95 | Very high | 56 Ų | 56 | 69.5 Ų | 69.5 | 36% | 0.364 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 120.5 | 175.8 | -26.6 | 34 | 0 | 0 | 0 | 111 | G91 W92 I106 R122 | G91-P120 WeakPolarHBondContact O-CG 3.48Å; W92-P120 VanDerWaalsContact CZ2-CD 3.44Å; W92-P120 HydrophobicContact CZ2-CG 3.92Å; I106-P120 WeakPolarHBondContact O-CA 3.09Å; P120-R122 PolarHBondContact O-N 3.27Å |
| 121 | G | 91 | Very high | 95 | Very high | 53 Ų | 53 | 67 Ų | 67 | 55% | 0.546 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 7.6 | -178 | 0 | 0 | 0 | 0 | 0 | 116.3 | I106 Q119 | I106-G121 PolarHBondContact O-N 3.02Å; I106-G121 VanDerWaalsContact O-N 3.13Å; Q119-G121 PolarHBondContact O-N 3.46Å; Q119-G121 VanDerWaalsContact O-N 3.1Å |
| 122 | R | 94.3 | Very high | 94.8 | Very high | 148 Ų | 148 | 72.3 Ų | 72.3 | 56% | 0.558 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 116.8 | -179.9 | -171.1 | -179.2 | -179.1 | 165.1 | 5.5 | 111.7 | I118 Q119 P120 | I118-R122 HydrophobicContact CD1-CG 4.22Å; I118-R122 HydrophobicContact CG1-CB 4.47Å; I118-R122 HydrophobicContact CG1-CG 4.19Å; I118-R122 VanDerWaalsContact CG1-O 3.32Å; I118-R122 WeakPolarHBondContact CG1-O 3.4Å; I118-R122 PolarHBondContact N-O 3.45Å; Q119-R122 HydrophobicContact CB-CB 3.99Å; Q119-R122 PolarHBondContact N-O 3.24Å; Q119-R122 PolarHBondContact O-N 3.21Å; P120-R122 PolarHBondContact O-N 3.27Å |
| 123 | C | 96.9 | Very high | 94.8 | Very high | 18 Ų | 18 | 65.9 Ų | 65.9 | 12% | 0.122 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 145.5 | 174.1 | -62.7 | 0 | 0 | 0 | 0 | 111.8 | C111 D132 | C111-C123 WeakPolarHBondContact CA-SG 3.49Å; C111-C123 HydrophobicContact CB-CB 3.78Å; C111-C123 WeakPolarHBondContact CB-SG 3.42Å; C111-C123 VanDerWaalsContact SG-CA 3.56Å; C111-C123 WeakPolarHBondContact SG-CB 3.46Å; C111-C123 CovalentContact SG-SG 2.02Å; C111-C123 PolarHBondContact SG-SG 3.49Å; C123-D132 WeakPolarHBondContact CB-O 3.49Å; C123-D132 PolarHBondContact SG-O 3.21Å |
| 124 | R | 97.4 | Very high | 94.9 | Very high | 155 Ų | 155 | 62.6 Ų | 62.6 | 59% | 0.585 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 114.1 | 161.8 | 179.4 | 178.4 | 64.5 | 168 | 0.7 | 107.5 | G115 S116 I118 | G115-R124 WeakPolarHBondContact CA-O 3.33Å; S116-R124 PolarHBondContact N-O 2.92Å; S116-R124 PolarHBondContact O-N 3.39Å; I118-R124 HydrophobicContact CD1-CB 4.14Å; I118-R124 HydrophobicContact CG1-CB 4.24Å; I118-R124 HydrophobicContact CG2-CB 3.63Å |
| 125 | C | 97.4 | Very high | 94.9 | Very high | 39 Ų | 39 | 63.2 Ų | 63.2 | 26% | 0.264 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -83.8 | 144.2 | -178.3 | -53.2 | 0 | 0 | 0 | 0 | 111.4 | W129 C134 | C125-W129 HydrophobicContact CB-CB 4.28Å; C125-W129 VanDerWaalsContact CB-O 3.3Å; C125-W129 WeakPolarHBondContact CB-O 3.43Å; C125-C134 WeakPolarHBondContact CA-SG 3.17Å; C125-C134 HydrophobicContact CB-CB 3.71Å; C125-C134 WeakPolarHBondContact CB-SG 3.39Å; C125-C134 WeakPolarHBondContact SG-CA 3.3Å; C125-C134 WeakPolarHBondContact SG-CB 3.31Å; C125-C134 CovalentContact SG-SG 2.04Å; C125-C134 PolarHBondContact SG-SG 3.49Å |
| 126 | P | 96.4 | Very high | 94.9 | Very high | 50 Ų | 50 | 64.8 Ų | 64.8 | 33% | 0.325 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 166.8 | 167.8 | 27.2 | -27.7 | 0 | 0 | 0 | 110.5 | N113 W129 | N113-P126 WeakPolarHBondContact O-CG 3.06Å; P126-W129 HydrophobicContact CG-CG 4.44Å; P126-W129 PolarHBondContact O-N 3.46Å |
| 127 | A | 93.4 | Very high | 95 | Very high | 95 Ų | 95 | 64.6 Ų | 64.6 | 79% | 0.785 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 144.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | W129 | A127-W129 VanDerWaalsContact C-N 3.31Š|
| 128 | G | 93.8 | Very high | 95 | Very high | 9 Ų | 9 | 64.1 Ų | 64.1 | 9% | 0.093 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | -1.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | V138 E140 | G128-V138 PolarHBondContact O-N 3.33Å; G128-E140 WeakPolarHBondContact CA-OE1 3.22Å |
| 129 | W | 97.1 | Very high | 95 | Very high | 52 Ų | 52 | 63.6 Ų | 63.6 | 20% | 0.197 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 145.4 | 179.2 | -63.6 | 93.3 | 0 | 0 | 0 | 112.8 | N113 C125 P126 A127 C134 S136 D137 A156 G157 | N113-W129 HydrophobicContact CB-CD2 3.46Å; N113-W129 VanDerWaalsContact CB-CD2 3.46Å; N113-W129 VanDerWaalsContact CB-CE2 3.45Å; N113-W129 HydrophobicContact CB-CE3 3.89Å; N113-W129 HydrophobicContact CB-CG 3.85Å; N113-W129 HydrophobicContact CB-CH2 4.23Å; N113-W129 HydrophobicContact CB-CZ2 3.84Å; N113-W129 HydrophobicContact CB-CZ3 4.27Å; N113-W129 VanDerWaalsContact CG-CH2 3.5Å; N113-W129 WeakPolarHBondContact ND2-CH2 3.4Å; N113-W129 WeakPolarHBondContact ND2-CZ3 3.15Å; C125-W129 HydrophobicContact CB-CB 4.28Å; C125-W129 VanDerWaalsContact CB-O 3.3Å; C125-W129 WeakPolarHBondContact CB-O 3.43Å; P126-W129 HydrophobicContact CG-CG 4.44Å; P126-W129 PolarHBondContact O-N 3.46Å; A127-W129 VanDerWaalsContact C-N 3.31Å; W129-C134 HydrophobicContact CB-CB 4.39Å; W129-S136 CarbonylContact C-O 3.48Å; W129-S136 WeakPolarHBondContact CA-O 3.42Å; W129-D137 HydrophobicContact CE3-CB 4.38Å; W129-D137 HydrophobicContact CZ3-CB 4.04Å; W129-A156 HydrophobicContact CH2-CB 3.98Å; W129-A156 HydrophobicContact CZ2-CB 4.2Å; W129-G157 VanDerWaalsContact NE1-CA 3.29Å |
| 130 | Q | 94.9 | Very high | 95.1 | Very high | 106 Ų | 106 | 60.7 Ų | 60.7 | 50% | 0.495 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 175.5 | -179.4 | 68.2 | 174 | 28.5 | 0 | 0 | 113.3 | C134 Q135 S136 V138 | Q130-C134 CarbonylContact O-C 3.47Å; Q130-C134 WeakPolarHBondContact O-CA 3.45Å; Q130-Q135 PolarHBondContact O-N 3.42Å; Q130-S136 PolarHBondContact N-O 3.03Å; Q130-S136 PolarHBondContact O-N 3.24Å; Q130-V138 HydrophobicContact CB-CG2 3.71Å; Q130-V138 HydrophobicContact CG-CG2 3.74Å |
| 131 | G | 94.6 | Very high | 95 | Very high | 37 Ų | 37 | 59.9 Ų | 59.9 | 38% | 0.381 | 34% | 0.338 | S | S | . | . | S | Bend | trans | 94 | 166.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | T133 C134 | G131-T133 PolarHBondContact O-N 3.1Å; G131-T133 VanDerWaalsContact O-N 3.15Å; G131-C134 PolarHBondContact O-N 3.44Å; G131-C134 VanDerWaalsContact O-N 3.08Å |
| 132 | D | 94 | Very high | 94.9 | Very high | 136 Ų | 136 | 62 Ų | 62 | 73% | 0.727 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -29.9 | -172.7 | -61 | -35.4 | 0 | 0 | 0 | 114 | C123 | C123-D132 WeakPolarHBondContact CB-O 3.49Å; C123-D132 PolarHBondContact SG-O 3.21Å |
| 133 | T | 96.2 | Very high | 94.2 | Very high | 21 Ų | 21 | 58.6 Ų | 58.6 | 13% | 0.129 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | 17.3 | 177.8 | 64.3 | 0 | 0 | 0 | 0 | 112.9 | P109 R112 G131 Q135 | P109-T133 HydrophobicContact CB-CG2 4.14Å; P109-T133 HydrophobicContact CG-CG2 4.01Å; R112-T133 PolarHBondContact N-O 2.96Å; G131-T133 PolarHBondContact O-N 3.1Å; G131-T133 VanDerWaalsContact O-N 3.15Å; T133-Q135 VanDerWaalsContact C-OE1 3.3Å; T133-Q135 VanDerWaalsContact CA-OE1 3.31Å; T133-Q135 PolarHBondContact O-N 3.09Å; T133-Q135 PolarHBondContact OG1-OE1 3.29Å |
| 134 | C | 97.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 38% | 0.376 | C | S | . | . | S | Bend | trans | 58.9 | 31.7 | -177 | -44.5 | 0 | 0 | 0 | 0 | 113.5 | R112 N113 C125 W129 Q130 G131 | R112-C134 WeakPolarHBondContact O-CB 3.46Å; N113-C134 PolarHBondContact ND2-O 3.35Å; C125-C134 WeakPolarHBondContact CA-SG 3.17Å; C125-C134 HydrophobicContact CB-CB 3.71Å; C125-C134 WeakPolarHBondContact CB-SG 3.39Å; C125-C134 WeakPolarHBondContact SG-CA 3.3Å; C125-C134 WeakPolarHBondContact SG-CB 3.31Å; C125-C134 CovalentContact SG-SG 2.04Å; C125-C134 PolarHBondContact SG-SG 3.49Å; W129-C134 HydrophobicContact CB-CB 4.39Å; Q130-C134 CarbonylContact O-C 3.47Å; Q130-C134 WeakPolarHBondContact O-CA 3.45Å; G131-C134 PolarHBondContact O-N 3.44Å; G131-C134 VanDerWaalsContact O-N 3.08Å |
| 135 | Q | 96.1 | Very high | 91.5 | Very high | 82 Ų | 82 | 56.4 Ų | 56.4 | 38% | 0.383 | 38% | 0.377 | S | S | . | . | trans | -82.5 | -21.5 | -174.4 | 70.3 | -81.2 | 5.8 | 0 | 0 | 113.8 | Q130 T133 | Q130-Q135 PolarHBondContact O-N 3.42Å; T133-Q135 VanDerWaalsContact C-OE1 3.3Å; T133-Q135 VanDerWaalsContact CA-OE1 3.31Å; T133-Q135 PolarHBondContact O-N 3.09Å; T133-Q135 PolarHBondContact OG1-OE1 3.29Å | ||
| 136 | S | 96 | Very high | 90.5 | Very high | 49 Ų | 49 | 54.9 Ų | 54.9 | 34% | 0.343 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 131.9 | -172.2 | -62.1 | 0 | 0 | 0 | 0 | 109.9 | W129 Q130 | W129-S136 CarbonylContact C-O 3.48Å; W129-S136 WeakPolarHBondContact CA-O 3.42Å; Q130-S136 PolarHBondContact N-O 3.03Å; Q130-S136 PolarHBondContact O-N 3.24Å |
| 137 | D | 96.3 | Very high | 89.9 | Confident | 47 Ų | 47 | 56.1 Ų | 56.1 | 25% | 0.251 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 145 | 170.6 | -176 | 53.9 | 0 | 0 | 0 | 110.7 | W129 N154 G157 | W129-D137 HydrophobicContact CE3-CB 4.38Å; W129-D137 HydrophobicContact CZ3-CB 4.04Å; D137-N154 PolarHBondContact OD2-ND2 3.43Å; D137-G157 PolarHBondContact OD1-N 2.94Å |
| 138 | V | 94.8 | Very high | 89.6 | Confident | 35 Ų | 35 | 53 Ų | 53 | 21% | 0.212 | 36% | 0.361 | C | S | . | . | trans | -92.9 | 118.1 | 169.9 | 177.2 | 0 | 0 | 0 | 0 | 107.1 | G128 Q130 E140 | G128-V138 PolarHBondContact O-N 3.33Å; Q130-V138 HydrophobicContact CB-CG2 3.71Å; Q130-V138 HydrophobicContact CG-CG2 3.74Å; V138-E140 HydrophobicContact CG1-CG 4.29Å; V138-E140 PolarHBondContact O-N 3.38Å | ||
| 139 | D | 93.7 | Very high | 89.3 | Confident | 59 Ų | 59 | 54.8 Ų | 54.8 | 32% | 0.316 | 37% | 0.371 | S | S | . | . | trans | -83.6 | 93.3 | 174.7 | -176.4 | -11.4 | 0 | 0 | 0 | 110.1 | C141 S142 A143 | D139-C141 PolarHBondContact O-N 3.11Å; D139-C141 WeakPolarHBondContact OD1-CA 3.37Å; D139-C141 VanDerWaalsContact OD1-CB 3.28Å; D139-C141 WeakPolarHBondContact OD1-CB 3.43Å; D139-C141 PolarHBondContact OD1-N 3.26Å; D139-S142 VanDerWaalsContact CG-OG 3.26Å; D139-S142 PolarHBondContact O-N 3.06Å; D139-S142 PolarHBondContact OD1-N 3.22Å; D139-S142 WeakPolarHBondContact OD2-CB 3.44Å; D139-S142 PolarHBondContact OD2-OG 3.12Å; D139-A143 WeakPolarHBondContact O-CB 3.47Å; D139-A143 PolarHBondContact O-N 2.83Å | ||
| 140 | E | 92.4 | Very high | 88.9 | Confident | 27 Ų | 27 | 55.6 Ų | 55.6 | 13% | 0.126 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -21.6 | -179.6 | -60 | 88.6 | 174.1 | 0 | 0 | 113.2 | G128 V138 G144 G145 A146 N154 Y159 | G128-E140 WeakPolarHBondContact CA-OE1 3.22Å; V138-E140 HydrophobicContact CG1-CG 4.29Å; V138-E140 PolarHBondContact O-N 3.38Å; E140-G144 PolarHBondContact O-N 3.41Å; E140-G145 PolarHBondContact O-N 3Å; E140-A146 HydrophobicContact CB-CB 4.23Å; E140-A146 PolarHBondContact O-N 3.46Å; E140-N154 PolarHBondContact OE2-OD1 3.05Å; E140-Y159 HydrophobicContact CB-CD1 3.53Å; E140-Y159 HydrophobicContact CB-CE1 3.92Å; E140-Y159 HydrophobicContact CB-CG 4.09Å; E140-Y159 HydrophobicContact CG-CD1 3.66Å; E140-Y159 HydrophobicContact CG-CE1 3.96Å; E140-Y159 WeakPolarHBondContact OE2-CD1 3.38Å |
| 141 | C | 91.1 | Very high | 88.7 | Confident | 39 Ų | 39 | 56.6 Ų | 56.6 | 26% | 0.264 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -42.4 | 175.7 | -57.7 | 0 | 0 | 0 | 0 | 111 | D139 C152 V153 N154 | D139-C141 PolarHBondContact O-N 3.11Å; D139-C141 WeakPolarHBondContact OD1-CA 3.37Å; D139-C141 VanDerWaalsContact OD1-CB 3.28Å; D139-C141 WeakPolarHBondContact OD1-CB 3.43Å; D139-C141 PolarHBondContact OD1-N 3.26Å; C141-C152 WeakPolarHBondContact CA-SG 3.31Å; C141-C152 HydrophobicContact CB-CB 3.66Å; C141-C152 WeakPolarHBondContact CB-SG 3.46Å; C141-C152 WeakPolarHBondContact SG-CB 3.28Å; C141-C152 CovalentContact SG-SG 2.03Å; C141-C152 PolarHBondContact SG-SG 3.22Å; C141-V153 VanDerWaalsContact SG-C 3.54Å; C141-V153 PolarHBondContact SG-N 3.08Å; C141-N154 PolarHBondContact SG-N 3.36Å |
| 142 | S | 89.4 | Confident | 88.6 | Confident | 98 Ų | 98 | 56.5 Ų | 56.5 | 69% | 0.685 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -31.3 | 176.7 | -66.4 | 0 | 0 | 0 | 0 | 112.5 | D139 G144 | D139-S142 VanDerWaalsContact CG-OG 3.26Å; D139-S142 PolarHBondContact O-N 3.06Å; D139-S142 PolarHBondContact OD1-N 3.22Å; D139-S142 WeakPolarHBondContact OD2-CB 3.44Å; D139-S142 PolarHBondContact OD2-OG 3.12Å; S142-G144 PolarHBondContact O-N 3.22Å |
| 143 | A | 77.8 | Confident | 88.5 | Confident | 77 Ų | 77 | 51.8 Ų | 51.8 | 64% | 0.636 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -5.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | D139 G145 | D139-A143 WeakPolarHBondContact O-CB 3.47Å; D139-A143 PolarHBondContact O-N 2.83Å; A143-G145 PolarHBondContact O-N 3.13Å |
| 144 | G | 69.4 | Low | 88.4 | Confident | 68 Ų | 68 | 53.3 Ų | 53.3 | 70% | 0.701 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | 10.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | E140 S142 | E140-G144 PolarHBondContact O-N 3.41Å; S142-G144 PolarHBondContact O-N 3.22Å |
| 145 | G | 68.3 | Low | 88.2 | Confident | 58 Ų | 58 | 55.8 Ų | 55.8 | 60% | 0.598 | 37% | 0.368 | S | S | * | . | trans | -92.2 | -11 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | E140 A143 G147 | E140-G145 PolarHBondContact O-N 3Å; A143-G145 PolarHBondContact O-N 3.13Å; G145-G147 VanDerWaalsContact C-N 3.28Å; G145-G147 PolarHBondContact O-N 3.48Å | ||
| 146 | A | 77.1 | Confident | 88.2 | Confident | 8 Ų | 8 | 55.8 Ų | 55.8 | 7% | 0.066 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -70.9 | -12.5 | -171 | 0 | 0 | 0 | 0 | 0 | 115.8 | E140 C148 C152 Y159 | E140-A146 HydrophobicContact CB-CB 4.23Å; E140-A146 PolarHBondContact O-N 3.46Å; A146-C148 PolarHBondContact O-N 3.32Å; A146-C152 HydrophobicContact CB-CB 4.24Å; A146-C152 WeakPolarHBondContact CB-SG 2.99Å; A146-Y159 HydrophobicContact CB-CD2 3.61Å; A146-Y159 HydrophobicContact CB-CE2 3.56Å; A146-Y159 HydrophobicContact CB-CG 4.15Å; A146-Y159 WeakPolarHBondContact O-CE2 3.39Å; A146-Y159 PolarHBondContact O-OH 2.99Å |
| 147 | G | 83.2 | Confident | 88.1 | Confident | 76 Ų | 76 | 54.3 Ų | 54.3 | 78% | 0.784 | 38% | 0.375 | S | S | * | . | trans | 55.4 | 20.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | G145 | G145-G147 VanDerWaalsContact C-N 3.28Å; G145-G147 PolarHBondContact O-N 3.48Å | ||
| 148 | C | 87.9 | Confident | 87.9 | Confident | 29 Ų | 29 | 55 Ų | 55 | 20% | 0.196 | 38% | 0.383 | C | S | . | . | trans | -75 | 141.1 | -174.4 | -70.6 | 0 | 0 | 0 | 0 | 112 | A146 Q150 C152 C161 | A146-C148 PolarHBondContact O-N 3.32Å; C148-Q150 VanDerWaalsContact C-N 3.32Å; C148-Q150 PolarHBondContact O-N 3.36Å; C148-C152 HydrophobicContact CB-CB 4.16Å; C148-C161 WeakPolarHBondContact CA-SG 3.49Å; C148-C161 HydrophobicContact CB-CB 3.67Å; C148-C161 WeakPolarHBondContact CB-SG 3.34Å; C148-C161 WeakPolarHBondContact SG-CA 3.01Å; C148-C161 WeakPolarHBondContact SG-CB 3Å; C148-C161 CovalentContact SG-SG 2.04Å; C148-C161 PolarHBondContact SG-SG 2.79Å | ||
| 149 | P | 87.3 | Confident | 87.8 | Confident | 47 Ų | 47 | 57.4 Ų | 57.4 | 31% | 0.305 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -68.3 | -28.5 | -177.5 | 24.4 | -34 | 0 | 0 | 0 | 114.2 | L169 | P149-L169 HydrophobicContact CG-CD1 3.79Š|
| 150 | Q | 89.6 | Confident | 87.7 | Confident | 69 Ų | 69 | 60.4 Ų | 60.4 | 32% | 0.322 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -137.6 | -79.7 | -176.2 | -69.9 | -176.8 | -15 | 0 | 0 | 111.3 | C148 C163 C176 | C148-Q150 VanDerWaalsContact C-N 3.32Å; C148-Q150 PolarHBondContact O-N 3.36Å; Q150-C163 VanDerWaalsContact OE1-CA 3.25Å; Q150-C176 VanDerWaalsContact CD-SG 3.51Å; Q150-C176 HydrophobicContact CG-CB 4.39Å; Q150-C176 PolarHBondContact OE1-SG 2.8Å; Q150-C176 VanDerWaalsContact OE1-SG 3.39Å |
| 151 | R | 90.2 | Very high | 87.6 | Confident | 127 Ų | 127 | 60.4 Ų | 60.4 | 48% | 0.479 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 134.3 | -177.9 | -176.1 | 178.3 | -174.2 | -171.6 | 11.5 | 110.1 | V153 C161 Q162 | R151-V153 HydrophobicContact CG-CG2 4.45Å; R151-C161 CarbonylContact O-C 3.58Å; R151-C161 WeakPolarHBondContact O-CA 3.05Å; R151-Q162 HydrophobicContact CB-CB 4.19Å; R151-Q162 WeakPolarHBondContact CB-O 3.32Å; R151-Q162 HydrophobicContact CG-CB 4.47Å; R151-Q162 PolarHBondContact N-O 3.43Å; R151-Q162 PolarHBondContact O-N 3.31Å |
| 152 | C | 92.7 | Very high | 87.6 | Confident | 35 Ų | 35 | 61.7 Ų | 61.7 | 24% | 0.236 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 138.2 | 169.7 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | C141 A146 C148 | C141-C152 WeakPolarHBondContact CA-SG 3.31Å; C141-C152 HydrophobicContact CB-CB 3.66Å; C141-C152 WeakPolarHBondContact CB-SG 3.46Å; C141-C152 WeakPolarHBondContact SG-CB 3.28Å; C141-C152 CovalentContact SG-SG 2.03Å; C141-C152 PolarHBondContact SG-SG 3.22Å; A146-C152 HydrophobicContact CB-CB 4.24Å; A146-C152 WeakPolarHBondContact CB-SG 2.99Å; C148-C152 HydrophobicContact CB-CB 4.16Å |
| 153 | V | 92.3 | Very high | 87.7 | Confident | 37 Ų | 37 | 57.9 Ų | 57.9 | 22% | 0.224 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 113 | 174.7 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | C141 R151 Y159 W160 Q162 | C141-V153 VanDerWaalsContact SG-C 3.54Å; C141-V153 PolarHBondContact SG-N 3.08Å; R151-V153 HydrophobicContact CG-CG2 4.45Å; V153-Y159 WeakPolarHBondContact O-CA 3.01Å; V153-W160 HydrophobicContact CB-CD2 4.24Å; V153-W160 HydrophobicContact CB-CZ2 4.01Å; V153-W160 HydrophobicContact CG1-CZ2 4.01Å; V153-W160 HydrophobicContact CG2-CH2 4.34Å; V153-W160 HydrophobicContact CG2-CZ2 3.98Å; V153-W160 PolarHBondContact N-O 2.77Å; V153-W160 PolarHBondContact O-N 3.42Å; V153-Q162 HydrophobicContact CG2-CB 4.06Å |
| 154 | N | 93.8 | Very high | 88.4 | Confident | 52 Ų | 52 | 61.4 Ų | 61.4 | 28% | 0.278 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 142.7 | 178.9 | -169.8 | 47.3 | 0 | 0 | 0 | 110.7 | D137 E140 C141 S158 | D137-N154 PolarHBondContact OD2-ND2 3.43Å; E140-N154 PolarHBondContact OE2-OD1 3.05Å; C141-N154 PolarHBondContact SG-N 3.36Å; N154-S158 PolarHBondContact OD1-O 2.76Å |
| 155 | T | 93.8 | Very high | 89.4 | Confident | 53 Ų | 53 | 67.2 Ų | 67.2 | 33% | 0.325 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 158.4 | 176.6 | 55 | 0 | 0 | 0 | 0 | 109.5 | G157 S158 | T155-G157 PolarHBondContact O-N 3.15Å; T155-S158 CarbonylContact C-O 3.56Å; T155-S158 VanDerWaalsContact C-O 3.26Å; T155-S158 VanDerWaalsContact CA-O 3.31Å; T155-S158 WeakPolarHBondContact CA-O 3.2Å; T155-S158 PolarHBondContact N-O 2.94Å; T155-S158 CarbonylContact O-C 3.56Å; T155-S158 PolarHBondContact O-N 3.01Å; T155-S158 VanDerWaalsContact O-N 3.1Å; T155-S158 PolarHBondContact OG1-O 2.04Å |
| 156 | A | 94.8 | Very high | 90.3 | Very high | 81 Ų | 81 | 66.6 Ų | 66.6 | 67% | 0.669 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 113.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | W129 | W129-A156 HydrophobicContact CH2-CB 3.98Å; W129-A156 HydrophobicContact CZ2-CB 4.2Å |
| 157 | G | 93.3 | Very high | 90.9 | Very high | 19 Ų | 19 | 69.3 Ų | 69.3 | 20% | 0.196 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 6.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | W129 D137 T155 | W129-G157 VanDerWaalsContact NE1-CA 3.29Å; D137-G157 PolarHBondContact OD1-N 2.94Å; T155-G157 PolarHBondContact O-N 3.15Å |
| 158 | S | 93.1 | Very high | 91.2 | Very high | 62 Ų | 62 | 72 Ų | 72 | 43% | 0.434 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.3 | -179.1 | -177.4 | -157.5 | 0 | 0 | 0 | 0 | 112.6 | N154 T155 | N154-S158 PolarHBondContact OD1-O 2.76Å; T155-S158 CarbonylContact C-O 3.56Å; T155-S158 VanDerWaalsContact C-O 3.26Å; T155-S158 VanDerWaalsContact CA-O 3.31Å; T155-S158 WeakPolarHBondContact CA-O 3.2Å; T155-S158 PolarHBondContact N-O 2.94Å; T155-S158 CarbonylContact O-C 3.56Å; T155-S158 PolarHBondContact O-N 3.01Å; T155-S158 VanDerWaalsContact O-N 3.1Å; T155-S158 PolarHBondContact OG1-O 2.04Å |
| 159 | Y | 92.9 | Very high | 91.3 | Very high | 84 Ų | 84 | 73.8 Ų | 73.8 | 33% | 0.329 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 163.4 | 171.3 | 66.8 | -83.5 | 0 | 0 | 0 | 109.8 | E140 A146 V153 | E140-Y159 HydrophobicContact CB-CD1 3.53Å; E140-Y159 HydrophobicContact CB-CE1 3.92Å; E140-Y159 HydrophobicContact CB-CG 4.09Å; E140-Y159 HydrophobicContact CG-CD1 3.66Å; E140-Y159 HydrophobicContact CG-CE1 3.96Å; E140-Y159 WeakPolarHBondContact OE2-CD1 3.38Å; A146-Y159 HydrophobicContact CB-CD2 3.61Å; A146-Y159 HydrophobicContact CB-CE2 3.56Å; A146-Y159 HydrophobicContact CB-CG 4.15Å; A146-Y159 WeakPolarHBondContact O-CE2 3.39Å; A146-Y159 PolarHBondContact O-OH 2.99Å; V153-Y159 WeakPolarHBondContact O-CA 3.01Å |
| 160 | W | 90.7 | Very high | 91.3 | Very high | 123 Ų | 123 | 72.5 Ų | 72.5 | 47% | 0.466 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 152 | 170.3 | 65.5 | -80.9 | 0 | 0 | 0 | 111.4 | V153 Q162 | V153-W160 HydrophobicContact CB-CD2 4.24Å; V153-W160 HydrophobicContact CB-CZ2 4.01Å; V153-W160 HydrophobicContact CG1-CZ2 4.01Å; V153-W160 HydrophobicContact CG2-CH2 4.34Å; V153-W160 HydrophobicContact CG2-CZ2 3.98Å; V153-W160 PolarHBondContact N-O 2.77Å; V153-W160 PolarHBondContact O-N 3.42Å; W160-Q162 HydrophobicContact CE3-CB 4.21Å; W160-Q162 HydrophobicContact CH2-CB 3.89Å; W160-Q162 HydrophobicContact CH2-CG 3.94Å; W160-Q162 HydrophobicContact CZ3-CB 3.53Å; W160-Q162 HydrophobicContact CZ3-CG 3.82Å |
| 161 | C | 91.4 | Very high | 91 | Very high | 27 Ų | 27 | 74 Ų | 74 | 18% | 0.182 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 129.8 | -178 | -55.1 | 0 | 0 | 0 | 0 | 110.9 | C148 R151 L169 | C148-C161 WeakPolarHBondContact CA-SG 3.49Å; C148-C161 HydrophobicContact CB-CB 3.67Å; C148-C161 WeakPolarHBondContact CB-SG 3.34Å; C148-C161 WeakPolarHBondContact SG-CA 3.01Å; C148-C161 WeakPolarHBondContact SG-CB 3Å; C148-C161 CovalentContact SG-SG 2.04Å; C148-C161 PolarHBondContact SG-SG 2.79Å; R151-C161 CarbonylContact O-C 3.58Å; R151-C161 WeakPolarHBondContact O-CA 3.05Å; C161-L169 HydrophobicContact CB-CD1 4.36Å |
| 162 | Q | 90.8 | Very high | 90.7 | Very high | 65 Ų | 65 | 73.7 Ų | 73.7 | 30% | 0.304 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 138.1 | 175.9 | -170 | 174.5 | 50.4 | 0 | 0 | 110.1 | R151 V153 W160 | R151-Q162 HydrophobicContact CB-CB 4.19Å; R151-Q162 WeakPolarHBondContact CB-O 3.32Å; R151-Q162 HydrophobicContact CG-CB 4.47Å; R151-Q162 PolarHBondContact N-O 3.43Å; R151-Q162 PolarHBondContact O-N 3.31Å; V153-Q162 HydrophobicContact CG2-CB 4.06Å; W160-Q162 HydrophobicContact CE3-CB 4.21Å; W160-Q162 HydrophobicContact CH2-CB 3.89Å; W160-Q162 HydrophobicContact CH2-CG 3.94Å; W160-Q162 HydrophobicContact CZ3-CB 3.53Å; W160-Q162 HydrophobicContact CZ3-CG 3.82Å |
| 163 | C | 91.8 | Very high | 90.1 | Very high | 19 Ų | 19 | 73.5 Ų | 73.5 | 13% | 0.128 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -93.2 | 154.3 | 169 | -58.9 | 0 | 0 | 0 | 0 | 110.6 | Q150 H167 L169 C176 | Q150-C163 VanDerWaalsContact OE1-CA 3.25Å; C163-H167 HydrophobicContact CB-CB 3.77Å; C163-L169 PolarHBondContact SG-N 3.04Å; C163-L169 VanDerWaalsContact SG-N 3.45Å; C163-C176 HydrophobicContact CB-CB 3.75Å; C163-C176 WeakPolarHBondContact CB-SG 3.24Å; C163-C176 WeakPolarHBondContact SG-CB 3.29Å; C163-C176 CovalentContact SG-SG 2.03Å; C163-C176 PolarHBondContact SG-SG 3.09Å |
| 164 | W | 91.6 | Very high | 89.7 | Confident | 150 Ų | 150 | 76.3 Ų | 76.3 | 57% | 0.568 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 163.8 | 171.9 | -57.7 | 123.4 | 0 | 0 | 0 | 111.9 | H167 | W164-H167 PolarHBondContact O-N 3.27Š|
| 165 | E | 90.4 | Very high | 89.4 | Confident | 191 Ų | 191 | 77.9 Ų | 77.9 | 89% | 0.893 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 144.2 | 176.7 | -70.6 | -170.2 | 164.5 | 0 | 0 | 111.9 | H167 | E165-H167 PolarHBondContact O-N 3.13Å; E165-H167 PolarHBondContact O-ND1 2.77Å |
| 166 | G | 88.3 | Confident | 89.3 | Confident | 44 Ų | 44 | 76.4 Ų | 76.4 | 45% | 0.454 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 0.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | P178 K179 | G166-P178 CarbonylContact O-C 3.55Å; G166-P178 WeakPolarHBondContact O-CA 3.32Å; G166-K179 PolarHBondContact O-N 2.77Å |
| 167 | H | 89.6 | Confident | 89 | Confident | 65 Ų | 65 | 74.1 Ų | 74.1 | 30% | 0.301 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 152.8 | 176.4 | -64.6 | 71.4 | 0 | 0 | 0 | 112 | C163 W164 E165 C176 V177 K179 | C163-H167 HydrophobicContact CB-CB 3.77Å; W164-H167 PolarHBondContact O-N 3.27Å; E165-H167 PolarHBondContact O-N 3.13Å; E165-H167 PolarHBondContact O-ND1 2.77Å; H167-C176 HydrophobicContact CB-CB 4.19Å; H167-V177 CarbonylContact C-O 3.57Å; H167-V177 VanDerWaalsContact CA-O 3.25Å; H167-V177 WeakPolarHBondContact CA-O 3.5Å; H167-K179 WeakPolarHBondContact O-CE 3.35Å |
| 168 | R | 89.3 | Confident | 88.8 | Confident | 134 Ų | 134 | 77.4 Ų | 77.4 | 51% | 0.506 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 153.6 | 174 | 61.7 | 179.2 | -179.2 | 89.6 | -4 | 109.4 | S170 C176 V177 K179 | R168-S170 PolarHBondContact O-N 2.82Å; R168-C176 CarbonylContact O-C 3.26Å; R168-C176 WeakPolarHBondContact O-CA 3.12Å; R168-V177 HydrophobicContact CG-CG2 3.71Å; R168-V177 PolarHBondContact N-O 2.96Å; R168-V177 PolarHBondContact O-N 3.3Å; R168-K179 HydrophobicContact CB-CG 3.75Å; R168-K179 HydrophobicContact CG-CG 4.02Å |
| 169 | L | 89.4 | Confident | 88.4 | Confident | 66 Ų | 66 | 80.3 Ų | 80.3 | 35% | 0.346 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 136.6 | 174.8 | -156.5 | 70 | 0 | 0 | 0 | 109.2 | P149 C161 C163 | P149-L169 HydrophobicContact CG-CD1 3.79Å; C161-L169 HydrophobicContact CB-CD1 4.36Å; C163-L169 PolarHBondContact SG-N 3.04Å; C163-L169 VanDerWaalsContact SG-N 3.45Å |
| 170 | S | 87.4 | Confident | 87.5 | Confident | 20 Ų | 20 | 79.6 Ų | 79.6 | 14% | 0.14 | 44% | 0.439 | C | S | . | . | trans | -62.5 | 159.6 | 172.4 | -167.6 | 0 | 0 | 0 | 0 | 110.4 | R168 D172 G173 H175 | R168-S170 PolarHBondContact O-N 2.82Å; S170-D172 PolarHBondContact O-N 3.1Å; S170-G173 PolarHBondContact O-N 3.02Å; S170-H175 WeakPolarHBondContact CB-NE2 3.34Å; S170-H175 WeakPolarHBondContact CB-O 3.25Å; S170-H175 PolarHBondContact N-O 3.34Å; S170-H175 PolarHBondContact OG-CE1 2.71Å; S170-H175 VanDerWaalsContact OG-CE1 3.32Å; S170-H175 PolarHBondContact OG-NE2 3.28Å | ||
| 171 | A | 83.9 | Confident | 86.3 | Confident | 99 Ų | 99 | 76.6 Ų | 76.6 | 82% | 0.818 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -31.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | G173 | A171-G173 VanDerWaalsContact C-N 3.28Å; A171-G173 PolarHBondContact O-N 3.15Å |
| 172 | D | 82.6 | Confident | 84.6 | Confident | 121 Ų | 121 | 80.8 Ų | 80.8 | 65% | 0.647 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -6.2 | 178.3 | -53.2 | -44.2 | 0 | 0 | 0 | 113.5 | S170 T174 | S170-D172 PolarHBondContact O-N 3.1Å; D172-T174 PolarHBondContact O-N 2.91Å; D172-T174 VanDerWaalsContact O-N 3.12Å |
| 173 | G | 82.1 | Confident | 82.9 | Confident | 31 Ų | 31 | 82.7 Ų | 82.7 | 32% | 0.32 | 49% | 0.491 | S | S | . | . | S | Bend | trans | 74.1 | -5.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116 | S170 A171 | S170-G173 PolarHBondContact O-N 3.02Å; A171-G173 VanDerWaalsContact C-N 3.28Å; A171-G173 PolarHBondContact O-N 3.15Å |
| 174 | T | 83.3 | Confident | 81.2 | Confident | 96 Ų | 96 | 94.1 Ų | 94.1 | 59% | 0.589 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -92 | -23.4 | -168.5 | 54 | 0 | 0 | 0 | 0 | 115.4 | D172 | D172-T174 PolarHBondContact O-N 2.91Å; D172-T174 VanDerWaalsContact O-N 3.12Å |
| 175 | H | 87.9 | Confident | 79.5 | Confident | 85 Ų | 85 | 92.3 Ų | 92.3 | 39% | 0.394 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -146.4 | 158.4 | -176.2 | 59 | -80.7 | 0 | 0 | 0 | 111.1 | S170 | S170-H175 WeakPolarHBondContact CB-NE2 3.34Å; S170-H175 WeakPolarHBondContact CB-O 3.25Å; S170-H175 PolarHBondContact N-O 3.34Å; S170-H175 PolarHBondContact OG-CE1 2.71Å; S170-H175 VanDerWaalsContact OG-CE1 3.32Å; S170-H175 PolarHBondContact OG-NE2 3.28Å |
| 176 | C | 91.1 | Very high | 77.7 | Confident | 22 Ų | 22 | 87.7 Ų | 87.7 | 15% | 0.149 | 53% | 0.531 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 126.4 | 179.1 | -68.8 | 0 | 0 | 0 | 0 | 110.3 | Q150 C163 H167 R168 | Q150-C176 VanDerWaalsContact CD-SG 3.51Å; Q150-C176 HydrophobicContact CG-CB 4.39Å; Q150-C176 PolarHBondContact OE1-SG 2.8Å; Q150-C176 VanDerWaalsContact OE1-SG 3.39Å; C163-C176 HydrophobicContact CB-CB 3.75Å; C163-C176 WeakPolarHBondContact CB-SG 3.24Å; C163-C176 WeakPolarHBondContact SG-CB 3.29Å; C163-C176 CovalentContact SG-SG 2.03Å; C163-C176 PolarHBondContact SG-SG 3.09Å; H167-C176 HydrophobicContact CB-CB 4.19Å; R168-C176 CarbonylContact O-C 3.26Å; R168-C176 WeakPolarHBondContact O-CA 3.12Å |
| 177 | V | 89 | Confident | 76 | Confident | 34 Ų | 34 | 90.8 Ų | 90.8 | 21% | 0.206 | 54% | 0.544 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 148.2 | 175.5 | -62.8 | 0 | 0 | 0 | 0 | 110.3 | H167 R168 K179 | H167-V177 CarbonylContact C-O 3.57Å; H167-V177 VanDerWaalsContact CA-O 3.25Å; H167-V177 WeakPolarHBondContact CA-O 3.5Å; R168-V177 HydrophobicContact CG-CG2 3.71Å; R168-V177 PolarHBondContact N-O 2.96Å; R168-V177 PolarHBondContact O-N 3.3Å; V177-K179 PolarHBondContact O-N 3.5Å |
| 178 | P | 88.6 | Confident | 74.1 | Confident | 87 Ų | 87 | 95 Ų | 95 | 57% | 0.565 | 57% | 0.568 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -54.5 | 131.7 | 173.7 | -23.8 | 33 | 0 | 0 | 0 | 110.3 | G166 G180 | G166-P178 CarbonylContact O-C 3.55Å; G166-P178 WeakPolarHBondContact O-CA 3.32Å; P178-G180 VanDerWaalsContact C-N 3.33Å; P178-G180 PolarHBondContact O-N 3.39Å |
| 179 | K | 84 | Confident | 72.6 | Confident | 124 Ų | 124 | 96 Ų | 96 | 54% | 0.539 | 58% | 0.583 | S | S | . | * | trans | -61.9 | 105 | 160.8 | -73.1 | 173.4 | 176.9 | 170.7 | 0 | 104.2 | G166 H167 R168 V177 G181 | G166-K179 PolarHBondContact O-N 2.77Å; H167-K179 WeakPolarHBondContact O-CE 3.35Å; R168-K179 HydrophobicContact CB-CG 3.75Å; R168-K179 HydrophobicContact CG-CG 4.02Å; V177-K179 PolarHBondContact O-N 3.5Å; K179-G181 PolarHBondContact O-N 3.44Å | ||
| 180 | G | 74.9 | Confident | 71.1 | Confident | 68 Ų | 68 | 98.7 Ų | 98.7 | 70% | 0.701 | 60% | 0.602 | S | S | * | * | trans | -45 | 121.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | P178 | P178-G180 VanDerWaalsContact C-N 3.33Å; P178-G180 PolarHBondContact O-N 3.39Å | ||
| 181 | G | 64.9 | Low | 69.8 | Low | 61 Ų | 61 | 100.5 Ų | 100.5 | 63% | 0.629 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 155.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109 | K179 | K179-G181 PolarHBondContact O-N 3.44Š|
| 182 | P | 56.1 | Low | 68.4 | Low | 115 Ų | 115 | 101.7 Ų | 101.7 | 75% | 0.747 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 135.6 | 179.2 | 24.1 | -31.9 | 0 | 0 | 0 | 108.3 | R184 | P182-R184 PolarHBondContact O-N 3.08Š|
| 183 | P | 54.3 | Low | 67.3 | Low | 105 Ų | 105 | 102.2 Ų | 102.2 | 68% | 0.682 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 134.4 | 158.5 | 22.6 | -28.5 | 0 | 0 | 0 | 106.2 | V185 | P183-V185 PolarHBondContact O-N 3.11Š|
| 184 | R | 56.7 | Low | 66.4 | Low | 258 Ų | 258 | 103.8 Ų | 103.8 | 97% | 0.974 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -69.3 | 52.1 | 171.8 | -72.2 | -174.9 | 175.3 | -168.7 | -0.4 | 110.9 | P182 | P182-R184 PolarHBondContact O-N 3.08Š|
| 185 | V | 55.3 | Low | 65.5 | Low | 113 Ų | 113 | 102 Ų | 102 | 69% | 0.685 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -135.7 | 116.7 | 170 | -174 | 0 | 0 | 0 | 0 | 105.5 | P183 | P183-V185 PolarHBondContact O-N 3.11Š|
| 186 | A | 53.1 | Low | 64.7 | Low | 93 Ų | 93 | 103.9 Ų | 103.9 | 77% | 0.769 | 64% | 0.635 | S | S | * | * | trans | -50.2 | 126.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | N188 | A186-N188 PolarHBondContact O-N 3.42Š| ||
| 187 | P | 51.7 | Low | 63.8 | Low | 110 Ų | 110 | 109.6 Ų | 109.6 | 71% | 0.714 | 66% | 0.657 | S | S | * | * | trans | -76.7 | 118.8 | 164.7 | 19.6 | -8.6 | 0 | 0 | 0 | 107.3 | L189 | P187-L189 PolarHBondContact O-N 3.48Š| ||
| 188 | N | 49.9 | Very low | 63.5 | Low | 152 Ų | 152 | 114.1 Ų | 114.1 | 81% | 0.813 | 68% | 0.676 | S | S | * | * | trans | -61.3 | 103.7 | 163.2 | -153.8 | 14.7 | 0 | 0 | 0 | 107.1 | A186 T190 | A186-N188 PolarHBondContact O-N 3.42Å; N188-T190 VanDerWaalsContact C-N 3.34Å; N188-T190 PolarHBondContact O-N 3.38Å | ||
| 189 | L | 59.2 | Low | 63.1 | Low | 156 Ų | 156 | 116.2 Ų | 116.2 | 82% | 0.817 | 68% | 0.678 | S | S | * | * | trans | -75.9 | 83.6 | 178.2 | -88.3 | 162 | 0 | 0 | 0 | 109.7 | P187 | P187-L189 PolarHBondContact O-N 3.48Š| ||
| 190 | T | 57.9 | Low | 63.1 | Low | 123 Ų | 123 | 113.9 Ų | 113.9 | 76% | 0.755 | 67% | 0.674 | S | S | * | * | trans | -148.8 | 93.6 | 159 | 52.9 | 0 | 0 | 0 | 0 | 108.4 | N188 | N188-T190 VanDerWaalsContact C-N 3.34Å; N188-T190 PolarHBondContact O-N 3.38Å | ||
| 191 | G | 59.6 | Low | 63.5 | Low | 57 Ų | 57 | 116.2 Ų | 116.2 | 59% | 0.588 | 67% | 0.667 | S | S | * | * | S | Bend | trans | 161.2 | -13.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||
| 192 | V | 54.5 | Low | 64.7 | Low | 124 Ų | 124 | 120.9 Ų | 120.9 | 75% | 0.752 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -103.4 | -19.6 | -175.5 | -174.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 193 | D | 58.2 | Low | 65.9 | Low | 132 Ų | 132 | 120.6 Ų | 120.6 | 71% | 0.706 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -76.5 | -25 | 177.9 | -91.4 | -1.7 | 0 | 0 | 0 | 114.1 | K197 | D193-K197 WeakPolarHBondContact O-CB 3.2Å; D193-K197 PolarHBondContact O-N 3.1Å |
| 194 | S | 63.2 | Low | 67.4 | Low | 65 Ų | 65 | 120.9 Ų | 120.9 | 46% | 0.455 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -72.5 | -43.6 | -175.5 | 53.5 | 0 | 0 | 0 | 0 | 112.3 | K197 E198 | S194-K197 PolarHBondContact O-N 2.85Å; S194-E198 WeakPolarHBondContact O-CB 3.37Å; S194-E198 VanDerWaalsContact O-CG 3.25Å; S194-E198 WeakPolarHBondContact O-CG 3.06Å; S194-E198 PolarHBondContact O-N 3.47Å |
| 195 | A | 66 | Low | 69.1 | Low | 57 Ų | 57 | 111.9 Ų | 111.9 | 47% | 0.471 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -66.4 | -43.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K197 E198 E199 | A195-K197 VanDerWaalsContact C-N 3.34Å; A195-E198 PolarHBondContact O-N 3.03Å; A195-E199 PolarHBondContact O-N 3.43Å |
| 196 | M | 69.8 | Low | 70.7 | Confident | 125 Ų | 125 | 113.3 Ų | 113.3 | 62% | 0.616 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -70.2 | -33.8 | 177.9 | -169 | 134 | 69.9 | 0 | 0 | 111.7 | E199 V200 | M196-E199 PolarHBondContact O-N 2.94Å; M196-V200 WeakPolarHBondContact O-CB 3.46Å; M196-V200 VanDerWaalsContact O-CG2 3.24Å; M196-V200 WeakPolarHBondContact O-CG2 3.34Å; M196-V200 PolarHBondContact O-N 3.48Å |
| 197 | K | 73.4 | Confident | 72.5 | Confident | 142 Ų | 142 | 112.4 Ų | 112.4 | 62% | 0.617 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.1 | -36.6 | 175.4 | -166.5 | 170.8 | -174.7 | 177.3 | 0 | 112.1 | D193 S194 A195 Q201 | D193-K197 WeakPolarHBondContact O-CB 3.2Å; D193-K197 PolarHBondContact O-N 3.1Å; S194-K197 PolarHBondContact O-N 2.85Å; A195-K197 VanDerWaalsContact C-N 3.34Å; K197-Q201 WeakPolarHBondContact O-CB 3.3Å; K197-Q201 WeakPolarHBondContact O-CG 3.44Å; K197-Q201 PolarHBondContact O-N 3.1Å |
| 198 | E | 81.3 | Confident | 74.3 | Confident | 130 Ų | 130 | 111.9 Ų | 111.9 | 61% | 0.607 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.5 | -41.4 | 173.7 | -76.6 | 171.5 | -161 | 0 | 0 | 112 | S194 A195 R202 | S194-E198 WeakPolarHBondContact O-CB 3.37Å; S194-E198 VanDerWaalsContact O-CG 3.25Å; S194-E198 WeakPolarHBondContact O-CG 3.06Å; S194-E198 PolarHBondContact O-N 3.47Å; A195-E198 PolarHBondContact O-N 3.03Å; E198-R202 VanDerWaalsContact O-CB 3.29Å; E198-R202 WeakPolarHBondContact O-CB 3.43Å; E198-R202 PolarHBondContact O-N 3.15Å |
| 199 | E | 80.6 | Confident | 76.3 | Confident | 131 Ų | 131 | 108.8 Ų | 108.8 | 61% | 0.612 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.7 | -40.2 | 176 | -75.9 | -177.1 | 158 | 0 | 0 | 112.7 | A195 M196 R202 L203 | A195-E199 PolarHBondContact O-N 3.43Å; M196-E199 PolarHBondContact O-N 2.94Å; E199-R202 PolarHBondContact O-N 3.42Å; E199-L203 WeakPolarHBondContact O-CG 3.48Å; E199-L203 PolarHBondContact O-N 2.89Å |
| 200 | V | 84.6 | Confident | 77.3 | Confident | 74 Ų | 74 | 107 Ų | 107 | 45% | 0.448 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.2 | -44.3 | 175.9 | 170.5 | 0 | 0 | 0 | 0 | 111 | M196 R202 L203 Q204 | M196-V200 WeakPolarHBondContact O-CB 3.46Å; M196-V200 VanDerWaalsContact O-CG2 3.24Å; M196-V200 WeakPolarHBondContact O-CG2 3.34Å; M196-V200 PolarHBondContact O-N 3.48Å; V200-R202 VanDerWaalsContact C-N 3.32Å; V200-R202 PolarHBondContact O-N 3.39Å; V200-L203 PolarHBondContact O-N 3.36Å; V200-Q204 WeakPolarHBondContact O-CG 3.38Å; V200-Q204 PolarHBondContact O-N 3.14Å |
| 201 | Q | 84 | Confident | 78.5 | Confident | 117 Ų | 117 | 107 Ų | 107 | 55% | 0.547 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.8 | -38.7 | 175.3 | -79 | -176.8 | -34.8 | 0 | 0 | 112.1 | K197 L203 Q204 S205 | K197-Q201 WeakPolarHBondContact O-CB 3.3Å; K197-Q201 WeakPolarHBondContact O-CG 3.44Å; K197-Q201 PolarHBondContact O-N 3.1Å; Q201-L203 VanDerWaalsContact C-N 3.34Å; Q201-L203 PolarHBondContact O-N 3.18Å; Q201-Q204 PolarHBondContact O-N 3.09Å; Q201-S205 PolarHBondContact O-N 3.47Å; Q201-S205 VanDerWaalsContact O-N 3.1Å |
| 202 | R | 88.8 | Confident | 79.7 | Confident | 159 Ų | 159 | 110 Ų | 110 | 60% | 0.6 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.6 | -39.9 | 175.6 | -172.9 | -179.2 | -173.3 | -178.2 | 4.2 | 111.9 | E198 E199 V200 S205 R206 | E198-R202 VanDerWaalsContact O-CB 3.29Å; E198-R202 WeakPolarHBondContact O-CB 3.43Å; E198-R202 PolarHBondContact O-N 3.15Å; E199-R202 PolarHBondContact O-N 3.42Å; V200-R202 VanDerWaalsContact C-N 3.32Å; V200-R202 PolarHBondContact O-N 3.39Å; R202-S205 PolarHBondContact O-OG 3.23Å; R202-R206 PolarHBondContact O-N 3.44Å |
| 203 | L | 81.6 | Confident | 81 | Confident | 109 Ų | 109 | 109.8 Ų | 109.8 | 57% | 0.571 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -70.4 | -41 | 177.7 | -72.6 | 170.6 | 0 | 0 | 0 | 111.9 | E199 V200 Q201 S205 R206 V207 | E199-L203 WeakPolarHBondContact O-CG 3.48Å; E199-L203 PolarHBondContact O-N 2.89Å; V200-L203 PolarHBondContact O-N 3.36Å; Q201-L203 VanDerWaalsContact C-N 3.34Å; Q201-L203 PolarHBondContact O-N 3.18Å; L203-S205 PolarHBondContact O-N 3.1Å; L203-R206 PolarHBondContact O-N 3.26Å; L203-V207 WeakPolarHBondContact O-CG2 3.28Å; L203-V207 PolarHBondContact O-N 2.81Å; L203-V207 VanDerWaalsContact O-N 3.1Å |
| 204 | Q | 86.3 | Confident | 81.8 | Confident | 112 Ų | 112 | 108.5 Ų | 108.5 | 52% | 0.523 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -57.8 | -48.4 | 175.4 | -78.9 | 172.3 | -37.1 | 0 | 0 | 111.8 | V200 Q201 R206 V207 D208 | V200-Q204 WeakPolarHBondContact O-CG 3.38Å; V200-Q204 PolarHBondContact O-N 3.14Å; Q201-Q204 PolarHBondContact O-N 3.09Å; Q204-R206 PolarHBondContact O-N 3.48Å; Q204-R206 VanDerWaalsContact O-N 3.15Å; Q204-V207 PolarHBondContact O-N 3.18Å; Q204-D208 PolarHBondContact O-N 3.1Å |
| 205 | S | 91.6 | Very high | 82.3 | Confident | 69 Ų | 69 | 112.7 Ų | 112.7 | 48% | 0.483 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.3 | -29.7 | 178.3 | 68.1 | 0 | 0 | 0 | 0 | 114.1 | Q201 R202 L203 L209 | Q201-S205 PolarHBondContact O-N 3.47Å; Q201-S205 VanDerWaalsContact O-N 3.1Å; R202-S205 PolarHBondContact O-OG 3.23Å; L203-S205 PolarHBondContact O-N 3.1Å; S205-L209 PolarHBondContact O-N 2.02Å |
| 206 | R | 90.3 | Very high | 82.5 | Confident | 142 Ų | 142 | 115.6 Ų | 115.6 | 54% | 0.536 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -76.5 | -34 | 176.2 | -78.6 | 179.8 | 167.1 | -171.2 | -4 | 112.5 | R202 L203 Q204 L210 | R202-R206 PolarHBondContact O-N 3.44Å; L203-R206 PolarHBondContact O-N 3.26Å; Q204-R206 PolarHBondContact O-N 3.48Å; Q204-R206 VanDerWaalsContact O-N 3.15Å; R206-L210 WeakPolarHBondContact O-CD1 3.13Å; R206-L210 VanDerWaalsContact O-CG 3.3Å; R206-L210 WeakPolarHBondContact O-CG 3.41Å; R206-L210 PolarHBondContact O-N 3.25Å; R206-L210 VanDerWaalsContact O-N 3.15Å |
| 207 | V | 90.6 | Very high | 82.5 | Confident | 74 Ų | 74 | 114.3 Ų | 114.3 | 45% | 0.448 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.2 | -46.6 | 176.7 | 173 | 0 | 0 | 0 | 0 | 109.8 | L203 Q204 L209 L210 E211 | L203-V207 WeakPolarHBondContact O-CG2 3.28Å; L203-V207 PolarHBondContact O-N 2.81Å; L203-V207 VanDerWaalsContact O-N 3.1Å; Q204-V207 PolarHBondContact O-N 3.18Å; V207-L209 VanDerWaalsContact C-N 3.3Å; V207-L209 PolarHBondContact O-N 3.47Å; V207-L210 WeakPolarHBondContact O-CB 3.07Å; V207-L210 PolarHBondContact O-N 3.01Å; V207-E211 PolarHBondContact O-N 2.69Å |
| 208 | D | 90 | Very high | 81.9 | Confident | 99 Ų | 99 | 111.2 Ų | 111.2 | 53% | 0.529 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -58.9 | -42.4 | 179.1 | -60.9 | -29 | 0 | 0 | 0 | 111.5 | Q204 L210 E211 E212 | Q204-D208 PolarHBondContact O-N 3.1Å; D208-L210 VanDerWaalsContact C-N 3.33Å; D208-L210 PolarHBondContact O-N 2.88Å; D208-E211 PolarHBondContact O-N 2.04Å; D208-E212 PolarHBondContact O-N 2.91Å; D208-E212 VanDerWaalsContact O-N 3.08Å |
| 209 | L | 90.3 | Very high | 81 | Confident | 87 Ų | 87 | 108 Ų | 108 | 46% | 0.455 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.6 | -35.8 | 175.7 | -175.6 | 69.9 | 0 | 0 | 0 | 112.8 | S205 V207 K213 | S205-L209 PolarHBondContact O-N 2.02Å; V207-L209 VanDerWaalsContact C-N 3.3Å; V207-L209 PolarHBondContact O-N 3.47Å; L209-K213 WeakPolarHBondContact O-CB 3.42Å; L209-K213 WeakPolarHBondContact O-CG 3.45Å; L209-K213 PolarHBondContact O-N 2.79Å; L209-K213 VanDerWaalsContact O-N 3.13Å |
| 210 | L | 80.6 | Confident | 80.1 | Confident | 118 Ų | 118 | 105.4 Ų | 105.4 | 62% | 0.618 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -71.8 | -37.3 | 178.4 | -79 | 167.3 | 0 | 0 | 0 | 111.4 | R206 V207 D208 K213 L214 | R206-L210 WeakPolarHBondContact O-CD1 3.13Å; R206-L210 VanDerWaalsContact O-CG 3.3Å; R206-L210 WeakPolarHBondContact O-CG 3.41Å; R206-L210 PolarHBondContact O-N 3.25Å; R206-L210 VanDerWaalsContact O-N 3.15Å; V207-L210 WeakPolarHBondContact O-CB 3.07Å; V207-L210 PolarHBondContact O-N 3.01Å; D208-L210 VanDerWaalsContact C-N 3.33Å; D208-L210 PolarHBondContact O-N 2.88Å; L210-K213 PolarHBondContact O-N 2.89Å; L210-L214 WeakPolarHBondContact O-CB 3.36Å; L210-L214 PolarHBondContact O-N 3.04Å |
| 211 | E | 82.9 | Confident | 78.8 | Confident | 123 Ų | 123 | 106.9 Ų | 106.9 | 58% | 0.575 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65 | -43 | 174.8 | -73.1 | -170.8 | 161.1 | 0 | 0 | 111.9 | V207 D208 K213 L214 Q215 | V207-E211 PolarHBondContact O-N 2.69Å; D208-E211 PolarHBondContact O-N 2.04Å; E211-K213 PolarHBondContact O-N 2.76Å; E211-L214 PolarHBondContact O-N 2.78Å; E211-Q215 PolarHBondContact O-N 3.47Å |
| 212 | E | 85.9 | Confident | 77.4 | Confident | 122 Ų | 122 | 108 Ų | 108 | 57% | 0.57 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.6 | -44.5 | 175.6 | -168.4 | -171.1 | 160.4 | 0 | 0 | 111.6 | D208 L214 Q215 L216 | D208-E212 PolarHBondContact O-N 2.91Å; D208-E212 VanDerWaalsContact O-N 3.08Å; E212-L214 VanDerWaalsContact C-N 3.31Å; E212-L214 PolarHBondContact O-N 2.04Å; E212-Q215 PolarHBondContact O-N 2.05Å; E212-L216 PolarHBondContact O-N 3.17Å; E212-L216 VanDerWaalsContact O-N 3.09Å |
| 213 | K | 80.9 | Confident | 75.7 | Confident | 119 Ų | 119 | 103.3 Ų | 103.3 | 52% | 0.517 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64 | -36.5 | 176.4 | -76.4 | -177.9 | 177.4 | -174.1 | 0 | 112.5 | L209 L210 E211 L216 V217 | L209-K213 WeakPolarHBondContact O-CB 3.42Å; L209-K213 WeakPolarHBondContact O-CG 3.45Å; L209-K213 PolarHBondContact O-N 2.79Å; L209-K213 VanDerWaalsContact O-N 3.13Å; L210-K213 PolarHBondContact O-N 2.89Å; E211-K213 PolarHBondContact O-N 2.76Å; K213-L216 PolarHBondContact O-N 2.64Å; K213-V217 WeakPolarHBondContact O-CG2 3.03Å; K213-V217 PolarHBondContact O-N 3.49Å |
| 214 | L | 75.9 | Confident | 74.4 | Confident | 105 Ų | 105 | 103.4 Ų | 103.4 | 55% | 0.55 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.6 | -40.9 | 177.3 | -176.2 | 63.1 | 0 | 0 | 0 | 111.2 | L210 E211 E212 L216 V217 L218 | L210-L214 WeakPolarHBondContact O-CB 3.36Å; L210-L214 PolarHBondContact O-N 3.04Å; E211-L214 PolarHBondContact O-N 2.78Å; E212-L214 VanDerWaalsContact C-N 3.31Å; E212-L214 PolarHBondContact O-N 2.04Å; L214-L216 VanDerWaalsContact C-N 3.35Å; L214-L216 PolarHBondContact O-N 3.27Å; L214-V217 PolarHBondContact O-N 3.08Å; L214-L218 HydrophobicContact CD1-CD1 4.09Å; L214-L218 HydrophobicContact CD1-CG 4.47Å; L214-L218 HydrophobicContact CG-CD1 3.85Å; L214-L218 WeakPolarHBondContact O-CG 3.35Å; L214-L218 PolarHBondContact O-N 3.39Å; L214-L218 VanDerWaalsContact O-N 3.11Å |
| 215 | Q | 72.6 | Confident | 72.5 | Confident | 152 Ų | 152 | 101.4 Ų | 101.4 | 71% | 0.71 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.7 | -38 | 175.9 | -70.4 | -144.8 | -10.3 | 0 | 0 | 112.7 | E211 E212 V217 L218 A219 | E211-Q215 PolarHBondContact O-N 3.47Å; E212-Q215 PolarHBondContact O-N 2.05Å; Q215-V217 VanDerWaalsContact C-N 3.29Å; Q215-V217 PolarHBondContact O-N 3.21Å; Q215-L218 PolarHBondContact O-N 2.91Å; Q215-A219 PolarHBondContact O-N 2.99Å |
| 216 | L | 71.6 | Confident | 70.6 | Confident | 118 Ų | 118 | 101.5 Ų | 101.5 | 62% | 0.618 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.2 | -31.3 | 175.5 | -77 | 166.3 | 0 | 0 | 0 | 113.2 | E212 K213 L214 | E212-L216 PolarHBondContact O-N 3.17Å; E212-L216 VanDerWaalsContact O-N 3.09Å; K213-L216 PolarHBondContact O-N 2.64Å; L214-L216 VanDerWaalsContact C-N 3.35Å; L214-L216 PolarHBondContact O-N 3.27Å |
| 217 | V | 69.6 | Low | 68.7 | Low | 99 Ų | 99 | 100.5 Ų | 100.5 | 60% | 0.6 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -80.8 | -29 | 178.2 | 174.2 | 0 | 0 | 0 | 0 | 112.4 | K213 L214 Q215 P220 | K213-V217 WeakPolarHBondContact O-CG2 3.03Å; K213-V217 PolarHBondContact O-N 3.49Å; L214-V217 PolarHBondContact O-N 3.08Å; Q215-V217 VanDerWaalsContact C-N 3.29Å; Q215-V217 PolarHBondContact O-N 3.21Å; V217-P220 WeakPolarHBondContact O-CD 3.21Å |
| 218 | L | 61.1 | Low | 66.4 | Low | 76 Ų | 76 | 101.1 Ų | 101.1 | 40% | 0.398 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -83.3 | -24.9 | -177.9 | -73.1 | 166.2 | 0 | 0 | 0 | 113.6 | L214 Q215 L221 H222 | L214-L218 HydrophobicContact CD1-CD1 4.09Å; L214-L218 HydrophobicContact CD1-CG 4.47Å; L214-L218 HydrophobicContact CG-CD1 3.85Å; L214-L218 WeakPolarHBondContact O-CG 3.35Å; L214-L218 PolarHBondContact O-N 3.39Å; L214-L218 VanDerWaalsContact O-N 3.11Å; Q215-L218 PolarHBondContact O-N 2.91Å; L218-L221 PolarHBondContact O-N 3.19Å; L218-H222 PolarHBondContact O-N 2.84Å |
| 219 | A | 61.4 | Low | 63.9 | Low | 64 Ų | 64 | 104 Ų | 104 | 53% | 0.529 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -58.9 | -42.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q215 L221 S223 | Q215-A219 PolarHBondContact O-N 2.99Å; A219-L221 PolarHBondContact O-N 3.06Å; A219-S223 PolarHBondContact O-N 3.46Å |
| 220 | P | 61.6 | Low | 61.7 | Low | 75 Ų | 75 | 107.9 Ų | 107.9 | 49% | 0.487 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -68.5 | -30.8 | 177.2 | -19.5 | 32.9 | 0 | 0 | 0 | 113.7 | V217 S223 L224 | V217-P220 WeakPolarHBondContact O-CD 3.21Å; P220-S223 PolarHBondContact O-N 2.92Å; P220-L224 WeakPolarHBondContact O-CG 3.13Å; P220-L224 PolarHBondContact O-N 2.9Å |
| 221 | L | 56.5 | Low | 59.9 | Low | 105 Ų | 105 | 109.6 Ų | 109.6 | 55% | 0.55 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -72 | -35.8 | -179 | -74.8 | 165.9 | 0 | 0 | 0 | 112.1 | L218 A219 L224 A225 | L218-L221 PolarHBondContact O-N 3.19Å; A219-L221 PolarHBondContact O-N 3.06Å; L221-L224 PolarHBondContact O-N 2.92Å; L221-A225 PolarHBondContact O-N 3.26Å; L221-A225 VanDerWaalsContact O-N 3.12Å |
| 222 | H | 54.8 | Low | 58.1 | Low | 142 Ų | 142 | 107.2 Ų | 107.2 | 66% | 0.657 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -66.9 | -38.2 | 174.5 | -85.4 | -125.4 | 0 | 0 | 0 | 112 | L218 A225 S226 | L218-H222 PolarHBondContact O-N 2.84Å; H222-A225 PolarHBondContact O-N 3.3Å; H222-S226 PolarHBondContact O-N 3.46Å; H222-S226 PolarHBondContact O-OG 3.01Å |
| 223 | S | 54.6 | Low | 56.1 | Low | 60 Ų | 60 | 109.1 Ų | 109.1 | 42% | 0.42 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -66.6 | -36.5 | 177.1 | -173.3 | 0 | 0 | 0 | 0 | 113 | A219 P220 S226 Q227 | A219-S223 PolarHBondContact O-N 3.46Å; P220-S223 PolarHBondContact O-N 2.92Å; S223-S226 WeakPolarHBondContact CA-OG 3.07Å; S223-S226 PolarHBondContact O-OG 3.41Å; S223-Q227 PolarHBondContact O-N 3.39Å |
| 224 | L | 53.1 | Low | 54.4 | Low | 110 Ų | 110 | 109.1 Ų | 109.1 | 58% | 0.576 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -73.8 | -34.9 | 178.4 | -74.2 | 165.9 | 0 | 0 | 0 | 112.3 | P220 L221 S226 Q227 A228 | P220-L224 WeakPolarHBondContact O-CG 3.13Å; P220-L224 PolarHBondContact O-N 2.9Å; L221-L224 PolarHBondContact O-N 2.92Å; L224-S226 VanDerWaalsContact C-N 3.33Å; L224-S226 PolarHBondContact O-N 3.18Å; L224-Q227 PolarHBondContact O-N 3Å; L224-A228 PolarHBondContact O-N 3.45Å; L224-A228 VanDerWaalsContact O-N 3.14Å |
| 225 | A | 47.8 | Very low | 53 | Low | 70 Ų | 70 | 110.4 Ų | 110.4 | 58% | 0.579 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65.3 | -36 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L221 H222 | L221-A225 PolarHBondContact O-N 3.26Å; L221-A225 VanDerWaalsContact O-N 3.12Å; H222-A225 PolarHBondContact O-N 3.3Å |
| 226 | S | 50.2 | Low | 51.7 | Low | 72 Ų | 72 | 107.9 Ų | 107.9 | 50% | 0.503 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -71.7 | -34.1 | 174.8 | 36.8 | 0 | 0 | 0 | 0 | 113.6 | H222 S223 L224 | H222-S226 PolarHBondContact O-N 3.46Å; H222-S226 PolarHBondContact O-OG 3.01Å; S223-S226 WeakPolarHBondContact CA-OG 3.07Å; S223-S226 PolarHBondContact O-OG 3.41Å; L224-S226 VanDerWaalsContact C-N 3.33Å; L224-S226 PolarHBondContact O-N 3.18Å |
| 227 | Q | 50.5 | Low | 50.7 | Low | 120 Ų | 120 | 104.1 Ų | 104.1 | 56% | 0.561 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -76.6 | -28.8 | 179.5 | -77 | 174.4 | -4.7 | 0 | 0 | 113.4 | S223 L224 L229 E230 | S223-Q227 PolarHBondContact O-N 3.39Å; L224-Q227 PolarHBondContact O-N 3Å; Q227-L229 PolarHBondContact O-N 2.69Å; Q227-E230 PolarHBondContact O-N 3.26Å |
| 228 | A | 42.4 | Very low | 49.7 | Very low | 87 Ų | 87 | 103.3 Ų | 103.3 | 72% | 0.719 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -17.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L224 | L224-A228 PolarHBondContact O-N 3.45Å; L224-A228 VanDerWaalsContact O-N 3.14Å |
| 229 | L | 38.7 | Very low | 49.1 | Very low | 160 Ų | 160 | 106.1 Ų | 106.1 | 84% | 0.838 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -15.8 | -179.6 | -148.5 | 81.8 | 0 | 0 | 0 | 113.5 | Q227 | Q227-L229 PolarHBondContact O-N 2.69Š|
| 230 | E | 43.8 | Very low | 48.7 | Very low | 168 Ų | 168 | 108.2 Ų | 108.2 | 79% | 0.785 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -16.7 | -175.6 | -79.8 | -134.5 | 143.2 | 0 | 0 | 115.5 | Q227 G232 | Q227-E230 PolarHBondContact O-N 3.26Å; E230-G232 PolarHBondContact O-N 2.93Å |
| 231 | H | 42.2 | Very low | 48.2 | Very low | 155 Ų | 155 | 109.2 Ų | 109.2 | 72% | 0.718 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -103.2 | 48.2 | -176.8 | -76.8 | 76 | 0 | 0 | 0 | 113.6 | L233 | H231-L233 PolarHBondContact O-N 3.48Š|
| 232 | G | 44.5 | Very low | 47.8 | Very low | 73 Ų | 73 | 110.6 Ų | 110.6 | 75% | 0.753 | 64% | 0.644 | S | S | * | * | trans | -40.8 | 109.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | E230 | E230-G232 PolarHBondContact O-N 2.93Š| ||
| 233 | L | 43.5 | Very low | 47.5 | Very low | 161 Ų | 161 | 107.3 Ų | 107.3 | 84% | 0.843 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 131.6 | 175.2 | -99.4 | 80.3 | 0 | 0 | 0 | 109.8 | H231 | H231-L233 PolarHBondContact O-N 3.48Š|
| 234 | P | 45.2 | Very low | 47.4 | Very low | 119 Ų | 119 | 111 Ų | 111 | 77% | 0.773 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 131.1 | 176.2 | 27.5 | -30.7 | 0 | 0 | 0 | 111.8 | ||
| 235 | D | 48.3 | Very low | 47.3 | Very low | 133 Ų | 133 | 113 Ų | 113 | 71% | 0.711 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 137.4 | 179.3 | -100.9 | -32.7 | 0 | 0 | 0 | 112.7 | G237 S238 | D235-G237 PolarHBondContact O-N 3.29Å; D235-S238 PolarHBondContact O-N 2.03Å; D235-S238 PolarHBondContact O-OG 3.34Å |
| 236 | P | 44.7 | Very low | 47.5 | Very low | 99 Ų | 99 | 115.3 Ų | 115.3 | 64% | 0.643 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -4.4 | 174.1 | 23.4 | -31.5 | 0 | 0 | 0 | 114.5 | S238 | P236-S238 VanDerWaalsContact C-N 3.32Å; P236-S238 PolarHBondContact O-N 2.99Å |
| 237 | G | 51 | Low | 47.6 | Very low | 39 Ų | 39 | 116.6 Ų | 116.6 | 40% | 0.402 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -69.2 | -24.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | D235 L239 L240 V241 | D235-G237 PolarHBondContact O-N 3.29Å; G237-L239 PolarHBondContact O-N 3.29Å; G237-L240 PolarHBondContact O-N 3.18Å; G237-V241 PolarHBondContact O-N 3.3Å |
| 238 | S | 48.8 | Very low | 47.3 | Very low | 81 Ų | 81 | 113.2 Ų | 113.2 | 57% | 0.566 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -70.7 | -29.2 | -179.2 | 59.7 | 0 | 0 | 0 | 0 | 113.5 | D235 P236 | D235-S238 PolarHBondContact O-N 2.03Å; D235-S238 PolarHBondContact O-OG 3.34Å; P236-S238 VanDerWaalsContact C-N 3.32Å; P236-S238 PolarHBondContact O-N 2.99Å |
| 239 | L | 48.1 | Very low | 47.7 | Very low | 136 Ų | 136 | 117.7 Ų | 117.7 | 71% | 0.712 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -72.3 | -30 | 176.1 | -73.8 | 168.8 | 0 | 0 | 0 | 112.6 | G237 S243 | G237-L239 PolarHBondContact O-N 3.29Å; L239-S243 PolarHBondContact O-N 3.05Å |
| 240 | L | 51.9 | Low | 48.2 | Very low | 107 Ų | 107 | 115.1 Ų | 115.1 | 56% | 0.56 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -72.5 | -37.1 | 178.5 | -76.8 | 166.2 | 0 | 0 | 0 | 111.8 | G237 H242 S243 F244 | G237-L240 PolarHBondContact O-N 3.18Å; L240-H242 VanDerWaalsContact C-N 3.28Å; L240-H242 PolarHBondContact O-N 3.03Å; L240-S243 WeakPolarHBondContact O-CB 3.43Å; L240-S243 PolarHBondContact O-N 3.01Å; L240-S243 VanDerWaalsContact O-N 3.08Å; L240-F244 HydrophobicContact CB-CE2 4.41Å; L240-F244 WeakPolarHBondContact O-CD2 3.25Å; L240-F244 PolarHBondContact O-N 3.29Å; L240-F244 VanDerWaalsContact O-N 3.11Å |
| 241 | V | 51 | Low | 48.5 | Very low | 97 Ų | 97 | 112.1 Ų | 112.1 | 59% | 0.588 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -61.6 | -37.3 | 178.2 | 176.1 | 0 | 0 | 0 | 0 | 111.6 | G237 S243 F244 Q245 | G237-V241 PolarHBondContact O-N 3.3Å; V241-S243 VanDerWaalsContact C-N 3.34Å; V241-S243 PolarHBondContact O-N 3.3Å; V241-F244 PolarHBondContact O-N 2.98Å; V241-Q245 PolarHBondContact O-N 3.35Å |
| 242 | H | 49.5 | Very low | 49.1 | Very low | 134 Ų | 134 | 107.6 Ų | 107.6 | 62% | 0.62 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70.3 | -29.2 | 176.3 | -167.6 | -91.5 | 0 | 0 | 0 | 112.8 | L240 | L240-H242 VanDerWaalsContact C-N 3.28Å; L240-H242 PolarHBondContact O-N 3.03Å |
| 243 | S | 48.3 | Very low | 49.4 | Very low | 73 Ų | 73 | 109 Ų | 109 | 51% | 0.51 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -73.6 | -31.2 | 174.3 | -166.8 | 0 | 0 | 0 | 0 | 112.6 | L239 L240 V241 Q246 | L239-S243 PolarHBondContact O-N 3.05Å; L240-S243 WeakPolarHBondContact O-CB 3.43Å; L240-S243 PolarHBondContact O-N 3.01Å; L240-S243 VanDerWaalsContact O-N 3.08Å; V241-S243 VanDerWaalsContact C-N 3.34Å; V241-S243 PolarHBondContact O-N 3.3Å; S243-Q246 PolarHBondContact O-N 2.78Å |
| 244 | F | 51.1 | Low | 50.1 | Low | 138 Ų | 138 | 104.4 Ų | 104.4 | 61% | 0.605 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -72.4 | -26.3 | 178.4 | -77.7 | -67.2 | 0 | 0 | 0 | 113.5 | L240 V241 Q246 L247 | L240-F244 HydrophobicContact CB-CE2 4.41Å; L240-F244 WeakPolarHBondContact O-CD2 3.25Å; L240-F244 PolarHBondContact O-N 3.29Å; L240-F244 VanDerWaalsContact O-N 3.11Å; V241-F244 PolarHBondContact O-N 2.98Å; F244-Q246 PolarHBondContact O-N 2.04Å; F244-L247 HydrophobicContact CD1-CD1 3.74Å; F244-L247 HydrophobicContact CE1-CD1 4.2Å; F244-L247 PolarHBondContact O-N 3.04Å |
| 245 | Q | 53 | Low | 50.7 | Low | 151 Ų | 151 | 105.7 Ų | 105.7 | 71% | 0.706 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -21.2 | 173.5 | -86 | 177.9 | -31.4 | 0 | 0 | 113.6 | V241 | V241-Q245 PolarHBondContact O-N 3.35Š|
| 246 | Q | 51.5 | Low | 50.9 | Low | 119 Ų | 119 | 104.8 Ų | 104.8 | 56% | 0.556 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -23.3 | 176 | -69.1 | -90.6 | -36.1 | 0 | 0 | 112.9 | S243 F244 G248 R249 | S243-Q246 PolarHBondContact O-N 2.78Å; F244-Q246 PolarHBondContact O-N 2.04Å; Q246-G248 VanDerWaalsContact C-N 3.32Å; Q246-G248 PolarHBondContact O-N 2.91Å; Q246-R249 PolarHBondContact O-N 2.97Å |
| 247 | L | 50.9 | Low | 51.6 | Low | 98 Ų | 98 | 105 Ų | 105 | 51% | 0.513 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.3 | -21.8 | 179.4 | -83.4 | 145.5 | 0 | 0 | 0 | 113.2 | F244 R249 I250 | F244-L247 HydrophobicContact CD1-CD1 3.74Å; F244-L247 HydrophobicContact CE1-CD1 4.2Å; F244-L247 PolarHBondContact O-N 3.04Å; L247-R249 PolarHBondContact O-N 3.38Å; L247-I250 HydrophobicContact CD2-CD1 4.04Å; L247-I250 PolarHBondContact O-N 3.21Å |
| 248 | G | 45.5 | Very low | 51.8 | Low | 49 Ų | 49 | 104.7 Ų | 104.7 | 51% | 0.505 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.1 | -13.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q246 | Q246-G248 VanDerWaalsContact C-N 3.32Å; Q246-G248 PolarHBondContact O-N 2.91Å |
| 249 | R | 50 | Low | 52.1 | Low | 181 Ų | 181 | 107.4 Ų | 107.4 | 68% | 0.683 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -75.5 | -21.7 | 173.8 | -104.9 | 175.2 | 178.5 | 160.6 | -0.9 | 113.6 | Q246 L247 S252 | Q246-R249 PolarHBondContact O-N 2.97Å; L247-R249 PolarHBondContact O-N 3.38Å; R249-S252 PolarHBondContact O-N 3.25Å |
| 250 | I | 50 | Low | 52.2 | Low | 106 Ų | 106 | 106.6 Ų | 106.6 | 54% | 0.544 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -77.2 | -34.4 | -177.4 | -69.4 | 163 | 0 | 0 | 0 | 110.9 | L247 S252 L253 S254 | L247-I250 HydrophobicContact CD2-CD1 4.04Å; L247-I250 PolarHBondContact O-N 3.21Å; I250-S252 PolarHBondContact O-N 3.25Å; I250-L253 PolarHBondContact O-N 3.42Å; I250-S254 PolarHBondContact O-N 3.38Å |
| 251 | D | 50.5 | Low | 52.3 | Low | 105 Ų | 105 | 106.8 Ų | 106.8 | 56% | 0.561 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.4 | -29.4 | 173.1 | -69.1 | -37.4 | 0 | 0 | 0 | 112.2 | L253 S254 E255 | D251-L253 PolarHBondContact O-N 3.31Å; D251-S254 PolarHBondContact O-OG 2.72Å; D251-E255 PolarHBondContact O-N 3.01Å |
| 252 | S | 53 | Low | 52.3 | Low | 61 Ų | 61 | 107.7 Ų | 107.7 | 43% | 0.427 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -70.3 | -29.3 | 175.1 | 178.7 | 0 | 0 | 0 | 0 | 113.6 | R249 I250 Q256 | R249-S252 PolarHBondContact O-N 3.25Å; I250-S252 PolarHBondContact O-N 3.25Å; S252-Q256 WeakPolarHBondContact O-CG 3.02Å |
| 253 | L | 51.4 | Low | 52.5 | Low | 103 Ų | 103 | 108.9 Ų | 108.9 | 54% | 0.539 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -84 | -30.3 | 179.1 | -74 | 168.5 | 0 | 0 | 0 | 111.7 | I250 D251 Q256 I257 | I250-L253 PolarHBondContact O-N 3.42Å; D251-L253 PolarHBondContact O-N 3.31Å; L253-Q256 PolarHBondContact O-N 2.77Å; L253-I257 WeakPolarHBondContact O-CG1 3.41Å; L253-I257 PolarHBondContact O-N 2.77Å; L253-I257 VanDerWaalsContact O-N 3.13Å |
| 254 | S | 57.5 | Low | 52.7 | Low | 63 Ų | 63 | 112.9 Ų | 112.9 | 44% | 0.441 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.3 | -36.2 | 173.9 | 68 | 0 | 0 | 0 | 0 | 112 | I250 D251 S258 | I250-S254 PolarHBondContact O-N 3.38Å; D251-S254 PolarHBondContact O-OG 2.72Å; S254-S258 WeakPolarHBondContact O-CB 3.03Å; S254-S258 PolarHBondContact O-N 3.39Å |
| 255 | E | 58.3 | Low | 52.9 | Low | 147 Ų | 147 | 108.7 Ų | 108.7 | 69% | 0.687 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.3 | -37.7 | 172.2 | -73 | -159.6 | 166 | 0 | 0 | 112.8 | D251 S258 F259 | D251-E255 PolarHBondContact O-N 3.01Å; E255-S258 PolarHBondContact O-N 3.28Å; E255-F259 PolarHBondContact O-N 2.83Å; E255-F259 VanDerWaalsContact O-N 3.12Å |
| 256 | Q | 53.5 | Low | 53.2 | Low | 113 Ų | 113 | 105.8 Ų | 105.8 | 53% | 0.528 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -70.4 | -34.6 | 178.6 | -73.3 | 175.6 | 4.2 | 0 | 0 | 113.2 | S252 L253 L260 | S252-Q256 WeakPolarHBondContact O-CG 3.02Å; L253-Q256 PolarHBondContact O-N 2.77Å; Q256-L260 PolarHBondContact O-N 3.45Å |
| 257 | I | 59.8 | Low | 53.7 | Low | 105 Ų | 105 | 102.1 Ų | 102.1 | 54% | 0.538 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -72.3 | -37.2 | 173.9 | -65.1 | 167.4 | 0 | 0 | 0 | 110.6 | L253 F259 L260 E261 | L253-I257 WeakPolarHBondContact O-CG1 3.41Å; L253-I257 PolarHBondContact O-N 2.77Å; L253-I257 VanDerWaalsContact O-N 3.13Å; I257-F259 VanDerWaalsContact C-N 3.28Å; I257-F259 PolarHBondContact O-N 3.36Å; I257-L260 PolarHBondContact O-N 2.9Å; I257-E261 PolarHBondContact O-N 2.03Å; I257-E261 VanDerWaalsContact O-N 3.11Å |
| 258 | S | 55 | Low | 54.3 | Low | 32 Ų | 32 | 102.1 Ų | 102.1 | 22% | 0.224 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -60.3 | -36.4 | 173.9 | -179.8 | 0 | 0 | 0 | 0 | 112.6 | S254 E255 L260 E261 E262 | S254-S258 WeakPolarHBondContact O-CB 3.03Å; S254-S258 PolarHBondContact O-N 3.39Å; E255-S258 PolarHBondContact O-N 3.28Å; S258-L260 VanDerWaalsContact C-N 3.34Å; S258-E261 PolarHBondContact O-N 3.24Å; S258-E262 WeakPolarHBondContact O-CB 3.44Å; S258-E262 PolarHBondContact O-N 3.23Å; S258-E262 VanDerWaalsContact O-N 3.1Å |
| 259 | F | 53.3 | Low | 55.2 | Low | 137 Ų | 137 | 102.6 Ų | 102.6 | 60% | 0.601 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67.9 | -33.2 | 177.2 | -178.6 | -100.2 | 0 | 0 | 0 | 112.5 | E255 I257 | E255-F259 PolarHBondContact O-N 2.83Å; E255-F259 VanDerWaalsContact O-N 3.12Å; I257-F259 VanDerWaalsContact C-N 3.28Å; I257-F259 PolarHBondContact O-N 3.36Å |
| 260 | L | 50.8 | Low | 55.8 | Low | 120 Ų | 120 | 102.5 Ų | 102.5 | 63% | 0.628 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -75.4 | -32.9 | 176.1 | -73.5 | 169.7 | 0 | 0 | 0 | 112.7 | Q256 I257 S258 | Q256-L260 PolarHBondContact O-N 3.45Å; I257-L260 PolarHBondContact O-N 2.9Å; S258-L260 VanDerWaalsContact C-N 3.34Å |
| 261 | E | 53.5 | Low | 56.3 | Low | 111 Ų | 111 | 106 Ų | 106 | 52% | 0.519 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -73.1 | -28.2 | 173.3 | -71 | -174.8 | 162.2 | 0 | 0 | 112.9 | I257 S258 Q263 L264 G265 | I257-E261 PolarHBondContact O-N 2.03Å; I257-E261 VanDerWaalsContact O-N 3.11Å; S258-E261 PolarHBondContact O-N 3.24Å; E261-Q263 PolarHBondContact O-N 2.95Å; E261-L264 PolarHBondContact O-N 3.18Å; E261-G265 PolarHBondContact O-N 3.32Å |
| 262 | E | 52.2 | Low | 56.7 | Low | 115 Ų | 115 | 106.9 Ų | 106.9 | 54% | 0.537 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.4 | -30.5 | 175.6 | -173.5 | 167.5 | -172.5 | 0 | 0 | 112.8 | S258 | S258-E262 WeakPolarHBondContact O-CB 3.44Å; S258-E262 PolarHBondContact O-N 3.23Å; S258-E262 VanDerWaalsContact O-N 3.1Å |
| 263 | Q | 53 | Low | 56.2 | Low | 159 Ų | 159 | 112.8 Ų | 112.8 | 74% | 0.743 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -21.1 | 174.4 | -74.1 | -131.9 | -34.3 | 0 | 0 | 114.3 | E261 | E261-Q263 PolarHBondContact O-N 2.95Š|
| 264 | L | 52.1 | Low | 56.5 | Low | 158 Ų | 158 | 113.3 Ų | 113.3 | 83% | 0.827 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -14.1 | -173.5 | -74 | 162.8 | 0 | 0 | 0 | 113.6 | E261 | E261-L264 PolarHBondContact O-N 3.18Š|
| 265 | G | 56.1 | Low | 56.4 | Low | 49 Ų | 49 | 115.9 Ų | 115.9 | 51% | 0.505 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -113.3 | 22 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | E261 C267 | E261-G265 PolarHBondContact O-N 3.32Å; G265-C267 PolarHBondContact O-N 3.19Å; G265-C267 VanDerWaalsContact O-N 3.16Å |
| 266 | S | 58.9 | Low | 56.3 | Low | 91 Ų | 91 | 114.2 Ų | 114.2 | 64% | 0.636 | 62% | 0.62 | S | S | * | * | trans | -70.3 | 114.3 | -168.6 | 84.2 | 0 | 0 | 0 | 0 | 112.7 | S268 | S266-S268 PolarHBondContact O-N 2.94Š| ||
| 267 | C | 61.8 | Low | 56.5 | Low | 41 Ų | 41 | 114.3 Ų | 114.3 | 28% | 0.277 | 63% | 0.626 | S | S | . | * | trans | -47.9 | 119.1 | 155.2 | -105 | 0 | 0 | 0 | 0 | 108.6 | C62 G265 | C62-C267 HydrophobicContact CB-CB 3.77Å; C62-C267 WeakPolarHBondContact CB-SG 3.47Å; C62-C267 WeakPolarHBondContact SG-CB 3.21Å; C62-C267 CovalentContact SG-SG 2.05Å; C62-C267 PolarHBondContact SG-SG 3.39Å; G265-C267 PolarHBondContact O-N 3.19Å; G265-C267 VanDerWaalsContact O-N 3.16Å | ||
| 268 | S | 64.2 | Low | 56.3 | Low | 99 Ų | 99 | 114.9 Ų | 114.9 | 69% | 0.692 | 63% | 0.631 | S | S | * | * | trans | -105.3 | 117.7 | 176.6 | 177 | 0 | 0 | 0 | 0 | 110 | S266 K270 | S266-S268 PolarHBondContact O-N 2.94Å; S268-K270 PolarHBondContact O-N 3.45Å | ||
| 269 | C | 64.4 | Low | 56.3 | Low | 58 Ų | 58 | 120.4 Ų | 120.4 | 39% | 0.392 | 66% | 0.658 | S | S | . | * | trans | -68.2 | 112.2 | 170.1 | -56.2 | 0 | 0 | 0 | 0 | 108.4 | C56 K271 | C56-C269 HydrophobicContact CB-CB 3.88Å; C56-C269 WeakPolarHBondContact CB-SG 3.42Å; C56-C269 WeakPolarHBondContact SG-CB 3.19Å; C56-C269 CovalentContact SG-SG 2.05Å; C56-C269 PolarHBondContact SG-SG 3.48Å; C269-K271 PolarHBondContact O-N 2.85Å | ||
| 270 | K | 63.6 | Low | 56.6 | Low | 179 Ų | 179 | 119.2 Ų | 119.2 | 78% | 0.778 | 66% | 0.662 | S | S | * | * | trans | -71.9 | 126.4 | 170.1 | -75.3 | -174.1 | 176.4 | -178.2 | 0 | 108.8 | S268 | S268-K270 PolarHBondContact O-N 3.45Š| ||
| 271 | K | 58.9 | Low | 57 | Low | 181 Ų | 181 | 119.2 Ų | 119.2 | 79% | 0.787 | 67% | 0.665 | S | S | * | * | trans | -79.2 | 115.4 | 164.3 | -75.1 | -177.2 | 177.1 | 179.3 | 0 | 106.8 | C269 S273 | C269-K271 PolarHBondContact O-N 2.85Å; K271-S273 PolarHBondContact O-N 3.12Å; K271-S273 VanDerWaalsContact O-N 3.11Å | ||
| 272 | D | 58.6 | Low | 57.3 | Low | 123 Ų | 123 | 119.8 Ų | 119.8 | 66% | 0.658 | 68% | 0.677 | S | S | * | * | trans | -69.2 | 104.6 | 169 | -63.1 | -45.2 | 0 | 0 | 0 | 106.7 | R60 | R60-D272 IonicContact CZ-OD2 3.69Å; R60-D272 IonicContact NH1-OD2 2.97Å; R60-D272 PolarHBondContact NH1-OD2 3.37Å; R60-D272 IonicContact NH2-OD2 3.43Å; R60-D272 PolarHBondContact NH2-OD2 2.85Å | ||
| 273 | S | 43.9 | Very low | 57.8 | Low | 185 Ų | 185 | 120.3 Ų | 120.3 | 100% | 1.294 | 69% | 0.69 | S | S | * | * | trans | -99.4 | 0 | 171.1 | 56.5 | 0 | 0 | 0 | 0 | 110.2 | K271 | K271-S273 PolarHBondContact O-N 3.12Å; K271-S273 VanDerWaalsContact O-N 3.11Å |
Retrieved 273 of 273 residues in 96.8 ms
(Link to these results)