| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.5 | Very low | 41.7 | Very low | 248 Ų | 248 | 154.2 Ų | 154.2 | 100% | 1.222 | 86% | 0.856 | S | S | * | * | 0 | 135.1 | 0 | -70.5 | 178.1 | 87 | 0 | 0 | 107.9 | |||||
| 2 | T | 35.5 | Very low | 42.1 | Very low | 143 Ų | 143 | 152.9 Ų | 152.9 | 88% | 0.877 | 86% | 0.855 | S | S | * | * | trans | -54 | 129.1 | -166.5 | 38.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 3 | A | 42.8 | Very low | 42.2 | Very low | 104 Ų | 104 | 150.5 Ų | 150.5 | 86% | 0.86 | 85% | 0.846 | S | S | * | * | trans | -133.1 | 110 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 4 | L | 39.9 | Very low | 42 | Very low | 165 Ų | 165 | 147.1 Ų | 147.1 | 86% | 0.864 | 84% | 0.837 | S | S | * | * | trans | -78.7 | 132.2 | 172.1 | -79.3 | 144.8 | 0 | 0 | 0 | 109.6 | ||||
| 5 | L | 47 | Very low | 41.8 | Very low | 165 Ų | 165 | 143.8 Ų | 143.8 | 86% | 0.864 | 83% | 0.827 | S | S | * | * | trans | -167.2 | 122.9 | 147.6 | -109.2 | 143.3 | 0 | 0 | 0 | 110 | ||||
| 6 | P | 42.6 | Very low | 41.7 | Very low | 117 Ų | 117 | 146.4 Ų | 146.4 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 135.4 | -176.2 | 32.6 | -32.8 | 0 | 0 | 0 | 110.9 | ||
| 7 | R | 43.5 | Very low | 42 | Very low | 254 Ų | 254 | 144.7 Ų | 144.7 | 96% | 0.958 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 124.3 | 171.5 | -84.2 | -173.9 | 174.8 | -171.8 | -0.9 | 110.7 | ||
| 8 | L | 42.3 | Very low | 42.1 | Very low | 152 Ų | 152 | 145.8 Ų | 145.8 | 80% | 0.796 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -66 | 143.3 | 169.3 | -86 | 147.2 | 0 | 0 | 0 | 113 | ||
| 9 | L | 43 | Very low | 42.5 | Very low | 149 Ų | 149 | 146.4 Ų | 146.4 | 78% | 0.78 | 80% | 0.804 | S | S | * | * | trans | 81.8 | 154.2 | 148 | -67 | 166.4 | 0 | 0 | 0 | 119.7 | ||||
| 10 | P | 43.4 | Very low | 43.2 | Very low | 115 Ų | 115 | 147.2 Ų | 147.2 | 75% | 0.747 | 81% | 0.806 | S | S | * | * | cis | -130.8 | 160.9 | 12.6 | 27.1 | -4 | 0 | 0 | 0 | 117.2 | ||||
| 11 | A | 38.7 | Very low | 44 | Very low | 84 Ų | 84 | 147.4 Ų | 147.4 | 69% | 0.694 | 81% | 0.806 | S | S | * | * | trans | -61.8 | 127.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V13 | A11-V13 PolarHBondContact O-N 3.36Š| ||
| 12 | V | 47.1 | Very low | 45.3 | Very low | 139 Ų | 139 | 144.1 Ų | 144.1 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | trans | -74.2 | 102.3 | 168.2 | 176.9 | 0 | 0 | 0 | 0 | 108 | S14 | V12-S14 PolarHBondContact O-N 3.46Å; V12-S14 VanDerWaalsContact O-N 3.09Å | ||
| 13 | V | 42.8 | Very low | 46.9 | Very low | 121 Ų | 121 | 148.1 Ų | 148.1 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | -67.6 | 102.8 | 170 | 176.7 | 0 | 0 | 0 | 0 | 108 | A11 S15 | A11-V13 PolarHBondContact O-N 3.36Å; V13-S15 PolarHBondContact O-N 3.1Å | ||
| 14 | S | 40.2 | Very low | 48.8 | Very low | 103 Ų | 103 | 145.4 Ų | 145.4 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | trans | -63.1 | 100.9 | 168.4 | -178 | 0 | 0 | 0 | 0 | 108.9 | V12 R16 | V12-S14 PolarHBondContact O-N 3.46Å; V12-S14 VanDerWaalsContact O-N 3.09Å; S14-R16 PolarHBondContact O-N 3.46Å | ||
| 15 | S | 39.2 | Very low | 51.2 | Low | 98 Ų | 98 | 141.6 Ų | 141.6 | 69% | 0.685 | 74% | 0.738 | S | S | * | * | trans | -73.4 | 92.9 | 170.3 | -65.1 | 0 | 0 | 0 | 0 | 108.3 | V13 V17 | V13-S15 PolarHBondContact O-N 3.1Å; S15-V17 VanDerWaalsContact C-N 3.33Å; S15-V17 PolarHBondContact O-N 3.4Å | ||
| 16 | R | 40.2 | Very low | 53.3 | Low | 185 Ų | 185 | 141.2 Ų | 141.2 | 70% | 0.698 | 73% | 0.725 | S | S | * | * | trans | -61.9 | 97.2 | 164.1 | -93 | -177.5 | 168.4 | 179.9 | -4.6 | 108.2 | S14 Y18 | S14-R16 PolarHBondContact O-N 3.46Å; R16-Y18 VanDerWaalsContact C-N 3.27Å; R16-Y18 HydrophobicContact CB-CD2 4.11Å; R16-Y18 HydrophobicContact CB-CE2 3.67Å; R16-Y18 VanDerWaalsContact CD-OH 3.31Å; R16-Y18 WeakPolarHBondContact CD-OH 3.48Å; R16-Y18 PolarHBondContact NH1-OH 3.15Å; R16-Y18 VanDerWaalsContact NH1-OH 3.1Å; R16-Y18 WeakPolarHBondContact O-CD2 3.45Å; R16-Y18 PolarHBondContact O-N 3.5Å | ||
| 17 | V | 45.7 | Very low | 55.6 | Low | 118 Ų | 118 | 139 Ų | 139 | 72% | 0.715 | 71% | 0.709 | S | S | * | * | trans | -67.1 | 92.4 | 162.8 | -179.8 | 0 | 0 | 0 | 0 | 106.5 | S15 L19 | S15-V17 VanDerWaalsContact C-N 3.33Å; S15-V17 PolarHBondContact O-N 3.4Å; V17-L19 VanDerWaalsContact C-N 3.3Å; V17-L19 HydrophobicContact CG1-CD2 4.23Å; V17-L19 HydrophobicContact CG1-CG 4.28Å; V17-L19 PolarHBondContact O-N 3.49Å | ||
| 18 | Y | 44.6 | Very low | 58 | Low | 165 Ų | 165 | 131.1 Ų | 131.1 | 65% | 0.647 | 69% | 0.685 | S | S | * | * | trans | -69.6 | 97.1 | 162.2 | -64.1 | -84.5 | 0 | 0 | 0 | 106.2 | R16 L20 | R16-Y18 VanDerWaalsContact C-N 3.27Å; R16-Y18 HydrophobicContact CB-CD2 4.11Å; R16-Y18 HydrophobicContact CB-CE2 3.67Å; R16-Y18 VanDerWaalsContact CD-OH 3.31Å; R16-Y18 WeakPolarHBondContact CD-OH 3.48Å; R16-Y18 PolarHBondContact NH1-OH 3.15Å; R16-Y18 VanDerWaalsContact NH1-OH 3.1Å; R16-Y18 WeakPolarHBondContact O-CD2 3.45Å; R16-Y18 PolarHBondContact O-N 3.5Å; Y18-L20 PolarHBondContact O-N 3.17Å | ||
| 19 | L | 49.7 | Very low | 60.4 | Low | 157 Ų | 157 | 130.1 Ų | 130.1 | 82% | 0.822 | 68% | 0.675 | S | S | * | * | trans | -60.3 | 93.8 | 162.2 | -71.2 | 170.7 | 0 | 0 | 0 | 106.1 | V17 L21 | V17-L19 VanDerWaalsContact C-N 3.3Å; V17-L19 HydrophobicContact CG1-CD2 4.23Å; V17-L19 HydrophobicContact CG1-CG 4.28Å; V17-L19 PolarHBondContact O-N 3.49Å; L19-L21 PolarHBondContact O-N 3.39Å | ||
| 20 | L | 56 | Low | 62.7 | Low | 161 Ų | 161 | 125.7 Ų | 125.7 | 84% | 0.843 | 65% | 0.65 | S | S | * | * | trans | -57.8 | 111 | 168.2 | -81.4 | 168.3 | 0 | 0 | 0 | 106 | Y18 R22 | Y18-L20 PolarHBondContact O-N 3.17Å; L20-R22 PolarHBondContact O-N 3.24Å | ||
| 21 | L | 61 | Low | 65 | Low | 153 Ų | 153 | 122.4 Ų | 122.4 | 80% | 0.801 | 63% | 0.632 | S | S | * | * | trans | -66.3 | 84.1 | 174.8 | -158.7 | 90.6 | 0 | 0 | 0 | 107.3 | L19 R23 | L19-L21 PolarHBondContact O-N 3.39Å; L21-R23 PolarHBondContact O-N 2.98Å | ||
| 22 | R | 65.6 | Low | 67.5 | Low | 178 Ų | 178 | 123.6 Ų | 123.6 | 67% | 0.672 | 62% | 0.622 | S | S | * | * | trans | -68.9 | 112.9 | 174.3 | -172.4 | 173.9 | 178.1 | -151.3 | -9 | 106.6 | L20 S24 E62 | L20-R22 PolarHBondContact O-N 3.24Å; R22-S24 PolarHBondContact O-N 3.35Å; R22-E62 IonicContact CZ-OE1 3.11Å; R22-E62 IonicContact NH1-OE1 2.72Å; R22-E62 PolarHBondContact NH1-OE1 3.3Å; R22-E62 IonicContact NH2-OE1 2.88Å; R22-E62 PolarHBondContact NH2-OE1 3.18Å | ||
| 23 | R | 70.7 | Confident | 69.5 | Low | 227 Ų | 227 | 123.2 Ų | 123.2 | 86% | 0.857 | 62% | 0.622 | S | S | * | * | trans | -77.6 | 116.8 | 172.4 | -66.2 | -176.6 | 178.7 | 178.8 | -0.5 | 107.4 | L21 | L21-R23 PolarHBondContact O-N 2.98Š| ||
| 24 | S | 82.9 | Confident | 71.7 | Confident | 48 Ų | 48 | 120.2 Ų | 120.2 | 34% | 0.336 | 60% | 0.602 | S | S | . | * | trans | -119.3 | 139 | 170.6 | 53.1 | 0 | 0 | 0 | 0 | 108.6 | R22 | R22-S24 PolarHBondContact O-N 3.35Š| ||
| 25 | T | 88.3 | Confident | 73.9 | Confident | 85 Ų | 85 | 118.9 Ų | 118.9 | 52% | 0.521 | 59% | 0.591 | S | S | . | * | trans | -101.1 | 139.2 | 171.4 | -36.6 | 0 | 0 | 0 | 0 | 108.3 | D61 | T25-D61 WeakPolarHBondContact CA-OD2 3.32Å; T25-D61 VanDerWaalsContact CB-CG 3.45Å; T25-D61 WeakPolarHBondContact CB-OD1 3.27Å; T25-D61 WeakPolarHBondContact CB-OD2 3.37Å; T25-D61 PolarHBondContact N-OD2 3.01Å; T25-D61 PolarHBondContact O-N 3.4Å; T25-D61 VanDerWaalsContact O-N 3.13Å; T25-D61 PolarHBondContact OG1-OD2 3.47Å | ||
| 26 | W | 91 | Very high | 76.2 | Confident | 157 Ų | 157 | 120.6 Ų | 120.6 | 60% | 0.595 | 60% | 0.597 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -124.9 | 130.6 | 172.1 | -61.4 | -52.1 | 0 | 0 | 0 | 108 | L28 | W26-L28 HydrophobicContact CB-CD2 4.36Å |
| 27 | V | 92.6 | Very high | 78.6 | Confident | 69 Ų | 69 | 114.4 Ų | 114.4 | 42% | 0.418 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.7 | 119 | 172 | -175.3 | 0 | 0 | 0 | 0 | 107.5 | V58 E59 | V27-V58 PolarHBondContact O-N 2.81Å; V27-E59 HydrophobicContact CB-CB 4.01Å; V27-E59 HydrophobicContact CG2-CB 4.16Å; V27-E59 PolarHBondContact N-O 2.92Å; V27-E59 PolarHBondContact O-N 3.37Å |
| 28 | L | 93.3 | Very high | 80.8 | Confident | 89 Ų | 89 | 111.8 Ų | 111.8 | 47% | 0.466 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.2 | 143 | -176.8 | -60.6 | -177.7 | 0 | 0 | 0 | 110.4 | W26 Y55 E56 I57 | W26-L28 HydrophobicContact CB-CD2 4.36Å; L28-Y55 HydrophobicContact CB-CD1 4.02Å; L28-Y55 HydrophobicContact CB-CG 4.23Å; L28-Y55 HydrophobicContact CD1-CD2 4.5Å; L28-Y55 HydrophobicContact CD1-CG 4.15Å; L28-E56 WeakPolarHBondContact CA-O 3.14Å; L28-I57 HydrophobicContact CD2-CB 4.41Å; L28-I57 HydrophobicContact CD2-CG1 3.84Å |
| 29 | K | 93.3 | Very high | 83.1 | Confident | 132 Ų | 132 | 110.2 Ų | 110.2 | 57% | 0.574 | 58% | 0.575 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -118.7 | 145.4 | 169.7 | 176.1 | -176.9 | 173.9 | -169.1 | 0 | 109 | A31 Y55 E56 V58 | K29-A31 PolarHBondContact O-N 3.33Å; K29-Y55 CarbonylContact O-C 3.51Å; K29-Y55 VanDerWaalsContact O-CA 3.27Å; K29-Y55 WeakPolarHBondContact O-CA 3.34Å; K29-E56 PolarHBondContact N-O 3.43Å; K29-E56 PolarHBondContact O-N 3.23Å; K29-V58 HydrophobicContact CB-CG2 3.33Å; K29-V58 HydrophobicContact CD-CG2 4.37Å; K29-V58 HydrophobicContact CG-CG2 4.49Å |
| 30 | H | 91.1 | Very high | 85.2 | Confident | 56 Ų | 56 | 107 Ų | 107 | 26% | 0.259 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -61.3 | 128.4 | 172.4 | -74.8 | -69.2 | 0 | 0 | 0 | 110.5 | F32 L34 F52 Y55 | H30-F32 PolarHBondContact O-N 3.15Å; H30-L34 HydrophobicContact CB-CG 4.35Å; H30-L34 WeakPolarHBondContact NE2-CD1 3.38Å; H30-F52 PolarHBondContact CE1-O 3.21Å; H30-Y55 AromaticContact CE1-CE1 3.18Å; H30-Y55 WeakPolarHBondContact CE1-CE1 3.37Å; H30-Y55 AromaticContact CE1-CZ 3.49Å; H30-Y55 VanDerWaalsContact CE1-CZ 3.49Å; H30-Y55 PolarHBondContact CE1-OH 2.97Å; H30-Y55 AromaticContact ND1-CD1 3.83Å; H30-Y55 AromaticContact ND1-CE1 3.36Å; H30-Y55 WeakPolarHBondContact ND1-CE1 3.44Å; H30-Y55 AromaticContact ND1-CZ 3.89Å; H30-Y55 AromaticContact NE2-CE1 3.76Å |
| 31 | A | 91.9 | Very high | 86.8 | Confident | 46 Ų | 46 | 108.6 Ų | 108.6 | 38% | 0.38 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -65.3 | -29.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K29 C54 | K29-A31 PolarHBondContact O-N 3.33Å; A31-C54 HydrophobicContact CB-CB 4.23Å; A31-C54 PolarHBondContact N-O 2.96Å |
| 32 | F | 90.8 | Very high | 88.2 | Confident | 109 Ų | 109 | 106.4 Ų | 106.4 | 48% | 0.478 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -114.6 | 143 | 179.4 | -58.1 | -74.8 | 0 | 0 | 0 | 111.2 | H30 L34 I51 C54 | H30-F32 PolarHBondContact O-N 3.15Å; F32-L34 PolarHBondContact O-N 3.26Å; F32-I51 HydrophobicContact CB-CG2 3.68Å; F32-I51 HydrophobicContact CD2-CG2 3.74Å; F32-I51 HydrophobicContact CG-CG2 3.92Å; F32-C54 HydrophobicContact CD2-CB 3.87Å; F32-C54 HydrophobicContact CE2-CB 3.81Å |
| 33 | P | 88.9 | Confident | 89.2 | Confident | 130 Ų | 130 | 105 Ų | 105 | 84% | 0.844 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 121.4 | 175.9 | 27 | -33.3 | 0 | 0 | 0 | 110.1 | ||
| 34 | L | 88 | Confident | 90 | Very high | 59 Ų | 59 | 99.5 Ų | 99.5 | 31% | 0.309 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -88.3 | 147.2 | 177.6 | -59.4 | -168.6 | 0 | 0 | 0 | 111 | H30 F32 V36 I51 F52 | H30-L34 HydrophobicContact CB-CG 4.35Å; H30-L34 WeakPolarHBondContact NE2-CD1 3.38Å; F32-L34 PolarHBondContact O-N 3.26Å; L34-V36 PolarHBondContact O-N 3.01Å; L34-I51 HydrophobicContact CD2-CG2 4.41Å; L34-F52 HydrophobicContact CD1-CD1 4.13Å; L34-F52 HydrophobicContact CD2-CD1 3.45Å; L34-F52 VanDerWaalsContact CD2-CD1 3.45Å; L34-F52 HydrophobicContact CD2-CE1 3.81Å; L34-F52 HydrophobicContact CG-CD1 4.41Å |
| 35 | P | 86.5 | Confident | 90.3 | Very high | 74 Ų | 74 | 99.3 Ų | 99.3 | 48% | 0.481 | 55% | 0.55 | S | S | . | * | P | Polyproline II helix | trans | -62.1 | 136.8 | 172.9 | 27.1 | -33.9 | 0 | 0 | 0 | 110.1 | T37 | P35-T37 PolarHBondContact O-N 3.42Š|
| 36 | V | 88.4 | Confident | 90.2 | Very high | 135 Ų | 135 | 98 Ų | 98 | 82% | 0.818 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 132.8 | -180 | -177.7 | 0 | 0 | 0 | 0 | 109.8 | L34 P38 | L34-V36 PolarHBondContact O-N 3.01Å; V36-P38 WeakPolarHBondContact O-CD 3.48Å |
| 37 | T | 90.4 | Very high | 90.2 | Very high | 54 Ų | 54 | 100.3 Ų | 100.3 | 33% | 0.331 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -74.8 | 123.3 | 173.4 | -60.3 | 0 | 0 | 0 | 0 | 108.4 | P35 R41 S42 | P35-T37 PolarHBondContact O-N 3.42Å; T37-R41 HydrophobicContact CG2-CB 4.19Å; T37-S42 WeakPolarHBondContact CG2-O 3.36Å |
| 38 | P | 91.2 | Very high | 90.1 | Very high | 63 Ų | 63 | 101.2 Ų | 101.2 | 41% | 0.409 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -56.4 | 144.1 | 178 | -24.9 | 34 | 0 | 0 | 0 | 111.5 | V36 G40 R41 | V36-P38 WeakPolarHBondContact O-CD 3.48Å; P38-G40 PolarHBondContact O-N 3.36Å; P38-R41 HydrophobicContact CB-CG 4.39Å; P38-R41 PolarHBondContact O-N 3.16Å; P38-R41 VanDerWaalsContact O-N 3.1Å |
| 39 | P | 93.2 | Very high | 89.9 | Confident | 133 Ų | 133 | 102.1 Ų | 102.1 | 86% | 0.864 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | 134.9 | 179.2 | 24.9 | -33.8 | 0 | 0 | 0 | 110.5 | R41 | P39-R41 VanDerWaalsContact C-N 3.32Å; P39-R41 PolarHBondContact O-N 2.92Å |
| 40 | G | 93.9 | Very high | 89.7 | Confident | 90 Ų | 90 | 104.3 Ų | 104.3 | 93% | 0.928 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82.3 | -3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | P38 | P38-G40 PolarHBondContact O-N 3.36Š|
| 41 | R | 89.6 | Confident | 89.6 | Confident | 193 Ų | 193 | 105.8 Ų | 105.8 | 73% | 0.728 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -94.9 | 150.7 | 169.1 | -67.1 | -154.8 | -178.8 | -165.1 | 2.8 | 111.6 | T37 P38 P39 | T37-R41 HydrophobicContact CG2-CB 4.19Å; P38-R41 HydrophobicContact CB-CG 4.39Å; P38-R41 PolarHBondContact O-N 3.16Å; P38-R41 VanDerWaalsContact O-N 3.1Å; P39-R41 VanDerWaalsContact C-N 3.32Å; P39-R41 PolarHBondContact O-N 2.92Å |
| 42 | S | 89.8 | Confident | 89.5 | Confident | 107 Ų | 107 | 104.3 Ų | 104.3 | 75% | 0.748 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -66 | 146.3 | 170.7 | 51.8 | 0 | 0 | 0 | 0 | 110.8 | T37 R44 | T37-S42 WeakPolarHBondContact CG2-O 3.36Å; S42-R44 PolarHBondContact O-N 3.46Å |
| 43 | Q | 86.8 | Confident | 89.5 | Confident | 149 Ų | 149 | 104.3 Ų | 104.3 | 70% | 0.696 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 137.5 | 170.4 | -175 | 174 | -6.6 | 0 | 0 | 109.4 | ||
| 44 | R | 87.2 | Confident | 89.6 | Confident | 111 Ų | 111 | 100.4 Ų | 100.4 | 42% | 0.419 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -63 | 142.6 | 177.7 | -66.3 | -172.4 | -162.1 | -174.2 | 6.7 | 110.7 | S42 E48 F52 | S42-R44 PolarHBondContact O-N 3.46Å; R44-E48 WeakPolarHBondContact CB-OE2 3.46Å; R44-E48 WeakPolarHBondContact CD-OE2 3.18Å; R44-E48 IonicContact NH1-OE1 3.57Å; R44-F52 HydrophobicContact CB-CE2 4.17Å |
| 45 | P | 90 | Very high | 89.9 | Confident | 44 Ų | 44 | 102.6 Ų | 102.6 | 29% | 0.286 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 142.5 | -179 | 24.8 | -30 | 0 | 0 | 0 | 111.6 | W47 E48 | P45-W47 HydrophobicContact CB-CD2 3.6Å; P45-W47 HydrophobicContact CB-CE3 3.93Å; P45-W47 HydrophobicContact CB-CG 4.24Å; P45-W47 HydrophobicContact CB-CH2 3.67Å; P45-W47 HydrophobicContact CB-CZ2 3.32Å; P45-W47 HydrophobicContact CB-CZ3 3.95Å; P45-W47 HydrophobicContact CG-CD2 4.5Å; P45-W47 HydrophobicContact CG-CZ2 4.11Å; P45-W47 PolarHBondContact O-N 2.96Å; P45-W47 VanDerWaalsContact O-N 3.13Å; P45-E48 HydrophobicContact CG-CB 4.26Å; P45-E48 WeakPolarHBondContact O-CB 3.25Å; P45-E48 PolarHBondContact O-N 3.49Å; P45-E48 VanDerWaalsContact O-N 3.08Å |
| 46 | P | 87 | Confident | 90.3 | Very high | 57 Ų | 57 | 104.8 Ų | 104.8 | 37% | 0.37 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -60.4 | -24.9 | 179.9 | -24.4 | 33.6 | 0 | 0 | 0 | 114.1 | E48 Q53 | P46-E48 VanDerWaalsContact C-N 3.3Å; P46-E48 PolarHBondContact O-N 3.24Å; P46-Q53 HydrophobicContact CB-CG 4.4Å; P46-Q53 VanDerWaalsContact O-CG 3.25Å; P46-Q53 WeakPolarHBondContact O-CG 3.34Å; P46-Q53 PolarHBondContact O-NE2 3.13Å |
| 47 | W | 90.2 | Very high | 90.5 | Very high | 207 Ų | 207 | 103.9 Ų | 103.9 | 78% | 0.784 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -77.9 | -8.5 | 178.8 | 58.4 | 84 | 0 | 0 | 0 | 114.4 | P45 | P45-W47 HydrophobicContact CB-CD2 3.6Å; P45-W47 HydrophobicContact CB-CE3 3.93Å; P45-W47 HydrophobicContact CB-CG 4.24Å; P45-W47 HydrophobicContact CB-CH2 3.67Å; P45-W47 HydrophobicContact CB-CZ2 3.32Å; P45-W47 HydrophobicContact CB-CZ3 3.95Å; P45-W47 HydrophobicContact CG-CD2 4.5Å; P45-W47 HydrophobicContact CG-CZ2 4.11Å; P45-W47 PolarHBondContact O-N 2.96Å; P45-W47 VanDerWaalsContact O-N 3.13Å |
| 48 | E | 90.6 | Very high | 90.6 | Very high | 88 Ų | 88 | 105.2 Ų | 105.2 | 41% | 0.411 | 54% | 0.538 | S | S | . | . | G | 310 helix | trans | -64.1 | -41 | 179 | -171.5 | -171.4 | 134.8 | 0 | 0 | 112.2 | R44 P45 P46 F52 | R44-E48 WeakPolarHBondContact CB-OE2 3.46Å; R44-E48 WeakPolarHBondContact CD-OE2 3.18Å; R44-E48 IonicContact NH1-OE1 3.57Å; P45-E48 HydrophobicContact CG-CB 4.26Å; P45-E48 WeakPolarHBondContact O-CB 3.25Å; P45-E48 PolarHBondContact O-N 3.49Å; P45-E48 VanDerWaalsContact O-N 3.08Å; P46-E48 VanDerWaalsContact C-N 3.3Å; P46-E48 PolarHBondContact O-N 3.24Å; E48-F52 HydrophobicContact CB-CD2 4.16Å; E48-F52 HydrophobicContact CB-CE2 3.98Å; E48-F52 HydrophobicContact CG-CE2 4.37Å |
| 49 | K | 88.3 | Confident | 90.6 | Very high | 107 Ų | 107 | 106.2 Ų | 106.2 | 47% | 0.465 | 54% | 0.537 | S | S | . | . | trans | -142.7 | 140.4 | -178.9 | -62 | -170.9 | -178.1 | -173.3 | 0 | 111.2 | I51 F52 | K49-I51 PolarHBondContact O-N 2.94Å; K49-F52 HydrophobicContact CB-CD1 4.27Å; K49-F52 HydrophobicContact CB-CD2 3.94Å; K49-F52 HydrophobicContact CB-CE1 4.31Å; K49-F52 HydrophobicContact CB-CE2 3.98Å; K49-F52 HydrophobicContact CB-CG 4.1Å; K49-F52 HydrophobicContact CB-CZ 4.18Å; K49-F52 HydrophobicContact CD-CE1 4.28Å; K49-F52 HydrophobicContact CD-CE2 4.26Å; K49-F52 HydrophobicContact CD-CZ 3.87Å; K49-F52 HydrophobicContact CG-CD2 4.46Å; K49-F52 HydrophobicContact CG-CE2 4.02Å; K49-F52 HydrophobicContact CG-CZ 4.13Å; K49-F52 WeakPolarHBondContact O-CB 3.28Å; K49-F52 PolarHBondContact O-N 2.87Å | ||
| 50 | K | 89.6 | Confident | 90.4 | Very high | 179 Ų | 179 | 100.8 Ų | 100.8 | 78% | 0.778 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -55.5 | -35.3 | 176.1 | -67.9 | -174.8 | 178.1 | -178.2 | 0 | 113.1 | F52 Q53 C54 | K50-F52 PolarHBondContact O-N 3.13Å; K50-Q53 WeakPolarHBondContact O-CB 3.21Å; K50-Q53 PolarHBondContact O-N 3.08Å; K50-C54 PolarHBondContact O-SG 3.3Å |
| 51 | I | 88.9 | Confident | 90 | Very high | 86 Ų | 86 | 100.3 Ų | 100.3 | 44% | 0.441 | 48% | 0.478 | S | S | . | . | G | 310 helix | trans | -58.8 | -31.6 | 178.3 | -55.8 | 172.4 | 0 | 0 | 0 | 111.3 | F32 L34 K49 Q53 C54 | F32-I51 HydrophobicContact CB-CG2 3.68Å; F32-I51 HydrophobicContact CD2-CG2 3.74Å; F32-I51 HydrophobicContact CG-CG2 3.92Å; L34-I51 HydrophobicContact CD2-CG2 4.41Å; K49-I51 PolarHBondContact O-N 2.94Å; I51-Q53 PolarHBondContact O-N 3.01Å; I51-C54 PolarHBondContact O-N 3.1Å |
| 52 | F | 89.3 | Confident | 89.6 | Confident | 16 Ų | 16 | 96.9 Ų | 96.9 | 7% | 0.07 | 47% | 0.471 | C | S | . | . | G | 310 helix | trans | -73.4 | -11.1 | 178.6 | -56.4 | -16 | 0 | 0 | 0 | 112.8 | H30 L34 R44 E48 K49 K50 Y55 | H30-F52 PolarHBondContact CE1-O 3.21Å; L34-F52 HydrophobicContact CD1-CD1 4.13Å; L34-F52 HydrophobicContact CD2-CD1 3.45Å; L34-F52 VanDerWaalsContact CD2-CD1 3.45Å; L34-F52 HydrophobicContact CD2-CE1 3.81Å; L34-F52 HydrophobicContact CG-CD1 4.41Å; R44-F52 HydrophobicContact CB-CE2 4.17Å; E48-F52 HydrophobicContact CB-CD2 4.16Å; E48-F52 HydrophobicContact CB-CE2 3.98Å; E48-F52 HydrophobicContact CG-CE2 4.37Å; K49-F52 HydrophobicContact CB-CD1 4.27Å; K49-F52 HydrophobicContact CB-CD2 3.94Å; K49-F52 HydrophobicContact CB-CE1 4.31Å; K49-F52 HydrophobicContact CB-CE2 3.98Å; K49-F52 HydrophobicContact CB-CG 4.1Å; K49-F52 HydrophobicContact CB-CZ 4.18Å; K49-F52 HydrophobicContact CD-CE1 4.28Å; K49-F52 HydrophobicContact CD-CE2 4.26Å; K49-F52 HydrophobicContact CD-CZ 3.87Å; K49-F52 HydrophobicContact CG-CD2 4.46Å; K49-F52 HydrophobicContact CG-CE2 4.02Å; K49-F52 HydrophobicContact CG-CZ 4.13Å; K49-F52 WeakPolarHBondContact O-CB 3.28Å; K49-F52 PolarHBondContact O-N 2.87Å; K50-F52 PolarHBondContact O-N 3.13Å; F52-Y55 PolarHBondContact O-OH 3.04Å |
| 53 | Q | 91.5 | Very high | 89.2 | Confident | 109 Ų | 109 | 97.3 Ų | 97.3 | 51% | 0.509 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -104.6 | 0.9 | 179.9 | -58.5 | 173.3 | 28.1 | 0 | 0 | 112.4 | P46 K50 I51 Y55 | P46-Q53 HydrophobicContact CB-CG 4.4Å; P46-Q53 VanDerWaalsContact O-CG 3.25Å; P46-Q53 WeakPolarHBondContact O-CG 3.34Å; P46-Q53 PolarHBondContact O-NE2 3.13Å; K50-Q53 WeakPolarHBondContact O-CB 3.21Å; K50-Q53 PolarHBondContact O-N 3.08Å; I51-Q53 PolarHBondContact O-N 3.01Å; Q53-Y55 VanDerWaalsContact O-CD2 3.28Å; Q53-Y55 WeakPolarHBondContact O-CD2 3.43Å |
| 54 | C | 91.6 | Very high | 89 | Confident | 48 Ų | 48 | 96 Ų | 96 | 32% | 0.324 | 45% | 0.454 | S | S | . | . | trans | -88.9 | 115.7 | 177.5 | -62.5 | 0 | 0 | 0 | 0 | 109.8 | A31 F32 K50 I51 | A31-C54 HydrophobicContact CB-CB 4.23Å; A31-C54 PolarHBondContact N-O 2.96Å; F32-C54 HydrophobicContact CD2-CB 3.87Å; F32-C54 HydrophobicContact CE2-CB 3.81Å; K50-C54 PolarHBondContact O-SG 3.3Å; I51-C54 PolarHBondContact O-N 3.1Å | ||
| 55 | Y | 93.9 | Very high | 88.9 | Confident | 105 Ų | 105 | 97.5 Ų | 97.5 | 41% | 0.412 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 148 | -179.9 | -61.6 | -81.7 | 0 | 0 | 0 | 111.2 | L28 K29 H30 F52 Q53 | L28-Y55 HydrophobicContact CB-CD1 4.02Å; L28-Y55 HydrophobicContact CB-CG 4.23Å; L28-Y55 HydrophobicContact CD1-CD2 4.5Å; L28-Y55 HydrophobicContact CD1-CG 4.15Å; K29-Y55 CarbonylContact O-C 3.51Å; K29-Y55 VanDerWaalsContact O-CA 3.27Å; K29-Y55 WeakPolarHBondContact O-CA 3.34Å; H30-Y55 AromaticContact CE1-CE1 3.18Å; H30-Y55 WeakPolarHBondContact CE1-CE1 3.37Å; H30-Y55 AromaticContact CE1-CZ 3.49Å; H30-Y55 VanDerWaalsContact CE1-CZ 3.49Å; H30-Y55 PolarHBondContact CE1-OH 2.97Å; H30-Y55 AromaticContact ND1-CD1 3.83Å; H30-Y55 AromaticContact ND1-CE1 3.36Å; H30-Y55 WeakPolarHBondContact ND1-CE1 3.44Å; H30-Y55 AromaticContact ND1-CZ 3.89Å; H30-Y55 AromaticContact NE2-CE1 3.76Å; F52-Y55 PolarHBondContact O-OH 3.04Å; Q53-Y55 VanDerWaalsContact O-CD2 3.28Å; Q53-Y55 WeakPolarHBondContact O-CD2 3.43Å |
| 56 | E | 94.1 | Very high | 88.7 | Confident | 119 Ų | 119 | 100.7 Ų | 100.7 | 56% | 0.556 | 49% | 0.489 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 140.3 | 168.8 | -174.2 | 177.8 | -170.5 | 0 | 0 | 108.3 | L28 K29 V58 | L28-E56 WeakPolarHBondContact CA-O 3.14Å; K29-E56 PolarHBondContact N-O 3.43Å; K29-E56 PolarHBondContact O-N 3.23Å; E56-V58 PolarHBondContact O-N 3.34Å |
| 57 | I | 93.8 | Very high | 88.9 | Confident | 117 Ų | 117 | 102.5 Ų | 102.5 | 60% | 0.6 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 121.8 | 178.5 | -58.8 | 168.6 | 0 | 0 | 0 | 107.7 | L28 | L28-I57 HydrophobicContact CD2-CB 4.41Å; L28-I57 HydrophobicContact CD2-CG1 3.84Å |
| 58 | V | 92.2 | Very high | 89 | Confident | 82 Ų | 82 | 96.7 Ų | 96.7 | 50% | 0.497 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | -49.5 | 176.7 | -175 | 0 | 0 | 0 | 0 | 109.8 | V27 K29 E56 | V27-V58 PolarHBondContact O-N 2.81Å; K29-V58 HydrophobicContact CB-CG2 3.33Å; K29-V58 HydrophobicContact CD-CG2 4.37Å; K29-V58 HydrophobicContact CG-CG2 4.49Å; E56-V58 PolarHBondContact O-N 3.34Å |
| 59 | E | 91.6 | Very high | 89.2 | Confident | 84 Ų | 84 | 94 Ų | 94 | 39% | 0.393 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 141.6 | -173.3 | -59.2 | -177.3 | 158.6 | 0 | 0 | 109.2 | V27 Y64 | V27-E59 HydrophobicContact CB-CB 4.01Å; V27-E59 HydrophobicContact CG2-CB 4.16Å; V27-E59 PolarHBondContact N-O 2.92Å; V27-E59 PolarHBondContact O-N 3.37Å; E59-Y64 HydrophobicContact CB-CE2 3.92Å; E59-Y64 HydrophobicContact CG-CE2 4.42Å; E59-Y64 WeakPolarHBondContact CG-OH 3.49Å; E59-Y64 PolarHBondContact OE1-OH 2.78Å; E59-Y64 PolarHBondContact OE2-OH 3.3Å |
| 60 | S | 87.9 | Confident | 89.4 | Confident | 19 Ų | 19 | 90.8 Ų | 90.8 | 13% | 0.133 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 143.9 | 172.5 | 85.7 | 0 | 0 | 0 | 0 | 110.2 | E62 D63 Y64 | S60-E62 PolarHBondContact O-N 3.38Å; S60-D63 WeakPolarHBondContact CB-OD2 3.48Å; S60-D63 PolarHBondContact N-OD2 2.9Å; S60-D63 PolarHBondContact O-N 3.29Å; S60-D63 VanDerWaalsContact O-N 3.09Å; S60-D63 VanDerWaalsContact OG-CG 3.24Å; S60-D63 PolarHBondContact OG-OD2 2.97Å; S60-Y64 VanDerWaalsContact O-CD2 3.23Å; S60-Y64 WeakPolarHBondContact O-CD2 3.48Å; S60-Y64 WeakPolarHBondContact O-CE2 3.28Å |
| 61 | D | 85.2 | Confident | 89.7 | Confident | 79 Ų | 79 | 82.2 Ų | 82.2 | 42% | 0.422 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -22.5 | 176.7 | -84.7 | -0.7 | 0 | 0 | 0 | 113.4 | T25 D63 | T25-D61 WeakPolarHBondContact CA-OD2 3.32Å; T25-D61 VanDerWaalsContact CB-CG 3.45Å; T25-D61 WeakPolarHBondContact CB-OD1 3.27Å; T25-D61 WeakPolarHBondContact CB-OD2 3.37Å; T25-D61 PolarHBondContact N-OD2 3.01Å; T25-D61 PolarHBondContact O-N 3.4Å; T25-D61 VanDerWaalsContact O-N 3.13Å; T25-D61 PolarHBondContact OG1-OD2 3.47Å; D61-D63 VanDerWaalsContact C-N 3.29Å; D61-D63 PolarHBondContact O-N 3.46Å |
| 62 | E | 82.3 | Confident | 89.9 | Confident | 121 Ų | 121 | 78.1 Ų | 78.1 | 57% | 0.565 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -23.5 | -178.4 | -54.3 | -159.3 | 131.4 | 0 | 0 | 112.8 | R22 S60 Y64 | R22-E62 IonicContact CZ-OE1 3.11Å; R22-E62 IonicContact NH1-OE1 2.72Å; R22-E62 PolarHBondContact NH1-OE1 3.3Å; R22-E62 IonicContact NH2-OE1 2.88Å; R22-E62 PolarHBondContact NH2-OE1 3.18Å; S60-E62 PolarHBondContact O-N 3.38Å; E62-Y64 VanDerWaalsContact C-N 3.33Å |
| 63 | D | 81.1 | Confident | 90.1 | Very high | 117 Ų | 117 | 77.4 Ų | 77.4 | 63% | 0.626 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -19.5 | -178.1 | -57.5 | -47.9 | 0 | 0 | 0 | 112.1 | S60 D61 | S60-D63 WeakPolarHBondContact CB-OD2 3.48Å; S60-D63 PolarHBondContact N-OD2 2.9Å; S60-D63 PolarHBondContact O-N 3.29Å; S60-D63 VanDerWaalsContact O-N 3.09Å; S60-D63 VanDerWaalsContact OG-CG 3.24Å; S60-D63 PolarHBondContact OG-OD2 2.97Å; D61-D63 VanDerWaalsContact C-N 3.29Å; D61-D63 PolarHBondContact O-N 3.46Å |
| 64 | Y | 82.7 | Confident | 90.2 | Very high | 122 Ų | 122 | 75 Ų | 75 | 48% | 0.478 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -97.4 | 117.2 | -174.3 | -64 | -88.3 | 0 | 0 | 0 | 112.3 | E59 S60 E62 L66 | E59-Y64 HydrophobicContact CB-CE2 3.92Å; E59-Y64 HydrophobicContact CG-CE2 4.42Å; E59-Y64 WeakPolarHBondContact CG-OH 3.49Å; E59-Y64 PolarHBondContact OE1-OH 2.78Å; E59-Y64 PolarHBondContact OE2-OH 3.3Å; S60-Y64 VanDerWaalsContact O-CD2 3.23Å; S60-Y64 WeakPolarHBondContact O-CD2 3.48Å; S60-Y64 WeakPolarHBondContact O-CE2 3.28Å; E62-Y64 VanDerWaalsContact C-N 3.33Å; Y64-L66 PolarHBondContact O-N 3.05Å |
| 65 | V | 84.5 | Confident | 90.3 | Very high | 141 Ų | 141 | 75.2 Ų | 75.2 | 86% | 0.855 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -78.1 | 118.5 | 163.1 | -176.4 | 0 | 0 | 0 | 0 | 108.2 | ||
| 66 | L | 86.8 | Confident | 90.1 | Very high | 111 Ų | 111 | 75.6 Ų | 75.6 | 58% | 0.581 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 134.3 | 177.5 | -67.1 | 173.4 | 0 | 0 | 0 | 110.2 | Y64 | Y64-L66 PolarHBondContact O-N 3.05Š|
| 67 | P | 90.9 | Very high | 89.8 | Confident | 96 Ų | 96 | 70.9 Ų | 70.9 | 62% | 0.623 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 151.7 | 176.2 | 28.2 | -34.3 | 0 | 0 | 0 | 110.5 | ||
| 68 | P | 93 | Very high | 89.3 | Confident | 85 Ų | 85 | 70.3 Ų | 70.3 | 55% | 0.552 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 143.6 | 174.7 | 27.8 | -34.1 | 0 | 0 | 0 | 110.6 | E88 V89 | P68-E88 HydrophobicContact CB-CB 4.39Å; P68-V89 CarbonylContact C-O 3.55Å; P68-V89 WeakPolarHBondContact CA-O 3.38Å |
| 69 | V | 93.7 | Very high | 88.8 | Confident | 32 Ų | 32 | 67.9 Ų | 67.9 | 19% | 0.194 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 127.7 | -179.1 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | L71 V89 A94 Y106 | V69-L71 HydrophobicContact CG1-CD2 3.87Å; V69-L71 HydrophobicContact CG1-CG 4.33Å; V69-V89 PolarHBondContact N-O 3.31Å; V69-V89 PolarHBondContact O-N 3.32Å; V69-V89 VanDerWaalsContact O-N 3.11Å; V69-A94 HydrophobicContact CB-CB 4.18Å; V69-A94 HydrophobicContact CG1-CB 4.46Å; V69-Y106 HydrophobicContact CG1-CD1 3.86Å; V69-Y106 HydrophobicContact CG1-CE1 3.73Å |
| 70 | A | 93.4 | Very high | 88.4 | Confident | 38 Ų | 38 | 66.7 Ų | 66.7 | 31% | 0.314 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 124.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111 | I87 A107 | A70-I87 CarbonylContact C-O 3.57Å; A70-I87 WeakPolarHBondContact CA-O 3.33Å; A70-A107 HydrophobicContact CB-CB 3.84Å; A70-A107 WeakPolarHBondContact O-CB 3.46Å; A70-A107 PolarHBondContact O-N 3.48Å |
| 71 | L | 94.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 149.4 | -179.2 | -59 | 179.2 | 0 | 0 | 0 | 111.1 | V69 V86 I87 V89 A94 F98 L99 A104 V105 Y106 | V69-L71 HydrophobicContact CG1-CD2 3.87Å; V69-L71 HydrophobicContact CG1-CG 4.33Å; L71-V86 CarbonylContact O-C 3.24Å; L71-V86 WeakPolarHBondContact O-CA 3.36Å; L71-I87 HydrophobicContact CB-CG1 4.09Å; L71-I87 PolarHBondContact N-O 3Å; L71-I87 PolarHBondContact O-N 2.91Å; L71-V89 HydrophobicContact CD1-CG2 3.65Å; L71-V89 HydrophobicContact CG-CG2 4.24Å; L71-A94 HydrophobicContact CD1-CB 3.88Å; L71-F98 HydrophobicContact CD1-CB 3.83Å; L71-F98 HydrophobicContact CD1-CD2 4.13Å; L71-F98 HydrophobicContact CD1-CG 4.04Å; L71-L99 HydrophobicContact CD2-CD1 4.37Å; L71-L99 HydrophobicContact CD2-CD2 4.01Å; L71-L99 HydrophobicContact CD2-CG 4.27Å; L71-A104 HydrophobicContact CB-CB 4.05Å; L71-A104 HydrophobicContact CD1-CB 4.15Å; L71-V105 CarbonylContact C-O 3.42Å; L71-V105 WeakPolarHBondContact CA-O 3.28Å; L71-Y106 HydrophobicContact CD2-CD1 4.01Å; L71-Y106 HydrophobicContact CD2-CE1 4.44Å |
| 72 | I | 93.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 121.2 | 168.9 | -65.4 | 160.5 | 0 | 0 | 0 | 107.5 | V86 A104 V105 A107 N111 Y115 I117 | I72-V86 HydrophobicContact CG1-CG2 4.27Å; I72-A104 CarbonylContact O-C 3.59Å; I72-A104 WeakPolarHBondContact O-CA 3.42Å; I72-A104 VanDerWaalsContact O-CB 3.27Å; I72-A104 WeakPolarHBondContact O-CB 3.31Å; I72-V105 PolarHBondContact N-O 3.09Å; I72-V105 PolarHBondContact O-N 2.62Å; I72-A107 HydrophobicContact CD1-CB 4.36Å; I72-A107 HydrophobicContact CG1-CB 4.14Å; I72-N111 HydrophobicContact CD1-CB 4.02Å; I72-Y115 HydrophobicContact CG2-CD2 4.46Å; I72-I117 HydrophobicContact CB-CD1 4.13Å; I72-I117 HydrophobicContact CD1-CD1 3.59Å; I72-I117 HydrophobicContact CG1-CD1 3.64Å; I72-I117 HydrophobicContact CG2-CD1 3.35Å |
| 73 | L | 93.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 137.4 | 175.6 | -68.5 | 178.6 | 0 | 0 | 0 | 111.2 | V77 R82 F84 D85 I87 F98 A104 | L73-V77 HydrophobicContact CD2-CG2 3.99Å; L73-R82 WeakPolarHBondContact CB-O 3.47Å; L73-R82 WeakPolarHBondContact CD1-O 3.34Å; L73-F84 VanDerWaalsContact O-CA 3.31Å; L73-F84 WeakPolarHBondContact O-CA 3.32Å; L73-F84 PolarHBondContact O-N 3.41Å; L73-D85 PolarHBondContact N-O 3.13Å; L73-I87 HydrophobicContact CD1-CD1 4.29Å; L73-I87 HydrophobicContact CD1-CG2 4.01Å; L73-I87 HydrophobicContact CD2-CD1 3.65Å; L73-I87 HydrophobicContact CD2-CG1 4.35Å; L73-I87 HydrophobicContact CG-CD1 4.03Å; L73-I87 HydrophobicContact CG-CG1 4.29Å; L73-I87 HydrophobicContact CG-CG2 4.36Å; L73-F98 HydrophobicContact CD2-CD1 3.93Å; L73-F98 HydrophobicContact CD2-CE1 3.75Å; L73-A104 HydrophobicContact CD2-CB 4.03Å |
| 74 | L | 94.3 | Very high | 89.1 | Confident | 59 Ų | 59 | 62.9 Ų | 62.9 | 31% | 0.309 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -96.3 | -24.6 | 173 | -63.5 | -178.1 | 0 | 0 | 0 | 112.6 | K103 V105 Y115 | L74-K103 WeakPolarHBondContact CB-O 3.23Å; L74-K103 PolarHBondContact N-O 3.41Å; L74-V105 HydrophobicContact CD1-CG2 3.6Å; L74-V105 HydrophobicContact CD2-CG2 3.82Å; L74-V105 HydrophobicContact CG-CG2 3.81Å; L74-Y115 HydrophobicContact CD2-CD1 4.5Å; L74-Y115 HydrophobicContact CD2-CE1 3.72Å; L74-Y115 HydrophobicContact CD2-CE2 4.02Å; L74-Y115 VanDerWaalsContact CD2-CZ 3.46Å; L74-Y115 WeakPolarHBondContact CD2-OH 3.36Å |
| 75 | C | 92.4 | Very high | 89.4 | Confident | 52 Ų | 52 | 58.6 Ų | 58.6 | 35% | 0.351 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -133.1 | 163 | 177.5 | 57.1 | 0 | 0 | 0 | 0 | 110.3 | V77 | C75-V77 PolarHBondContact O-N 3.06Š|
| 76 | D | 90.3 | Very high | 89.7 | Confident | 113 Ų | 113 | 52.5 Ų | 52.5 | 60% | 0.604 | 29% | 0.293 | S | S | * | . | trans | -66.7 | 126 | 172.3 | -62.6 | -26 | 0 | 0 | 0 | 109.3 | R82 A83 | D76-R82 WeakPolarHBondContact OD1-CA 3.14Å; D76-R82 WeakPolarHBondContact OD1-CB 3.47Å; D76-A83 PolarHBondContact OD1-N 3.05Å | ||
| 77 | V | 87.9 | Confident | 89.9 | Confident | 20 Ų | 20 | 47.9 Ų | 47.9 | 12% | 0.121 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -122.5 | 117.6 | -179.8 | -170.7 | 0 | 0 | 0 | 0 | 109.9 | L73 C75 G79 Y80 G81 F98 K103 | L73-V77 HydrophobicContact CD2-CG2 3.99Å; C75-V77 PolarHBondContact O-N 3.06Å; V77-G79 PolarHBondContact O-N 3.32Å; V77-Y80 HydrophobicContact CB-CD2 4.42Å; V77-Y80 HydrophobicContact CG1-CD2 3.72Å; V77-Y80 HydrophobicContact CG1-CE2 4.39Å; V77-Y80 PolarHBondContact O-N 2.96Å; V77-G81 PolarHBondContact N-O 2.77Å; V77-G81 PolarHBondContact O-N 3.03Å; V77-F98 HydrophobicContact CB-CE1 4.39Å; V77-F98 HydrophobicContact CG1-CE1 4.07Å; V77-F98 HydrophobicContact CG2-CE1 4.24Å; V77-K103 HydrophobicContact CG2-CD 4.48Å |
| 78 | E | 82.4 | Confident | 90 | Very high | 105 Ų | 105 | 48.1 Ų | 48.1 | 49% | 0.491 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 132.1 | 172.2 | -169.6 | -174.4 | 173.2 | 0 | 0 | 109.8 | K135 | E78-K135 HydrophobicContact CG-CG 4.28Å; E78-K135 WeakPolarHBondContact OE1-CG 3.43Å |
| 79 | G | 81.6 | Confident | 89.9 | Confident | 32 Ų | 32 | 44.7 Ų | 44.7 | 33% | 0.33 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 95.7 | -22.8 | -172 | 0 | 0 | 0 | 0 | 0 | 115.7 | V77 T131 | V77-G79 PolarHBondContact O-N 3.32Å; G79-T131 WeakPolarHBondContact O-CG2 3.3Å |
| 80 | Y | 84.6 | Confident | 89.9 | Confident | 58 Ų | 58 | 46.8 Ų | 46.8 | 23% | 0.227 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.8 | -53 | -166.3 | -61.6 | -88.8 | 0 | 0 | 0 | 115.1 | V77 I87 V89 I93 E97 F98 | V77-Y80 HydrophobicContact CB-CD2 4.42Å; V77-Y80 HydrophobicContact CG1-CD2 3.72Å; V77-Y80 HydrophobicContact CG1-CE2 4.39Å; V77-Y80 PolarHBondContact O-N 2.96Å; Y80-I87 HydrophobicContact CD1-CD1 4.13Å; Y80-I87 HydrophobicContact CG-CD1 4.38Å; Y80-V89 HydrophobicContact CD1-CG1 3.86Å; Y80-V89 HydrophobicContact CE1-CG1 3.71Å; Y80-I93 VanDerWaalsContact OH-CG2 3.3Å; Y80-I93 WeakPolarHBondContact OH-CG2 3.48Å; Y80-E97 PolarHBondContact OH-OE2 3.45Å; Y80-F98 HydrophobicContact CD1-CE2 4.19Å; Y80-F98 AromaticContact CD1-CZ 3.56Å; Y80-F98 HydrophobicContact CD1-CZ 3.56Å; Y80-F98 HydrophobicContact CD2-CE1 4.14Å; Y80-F98 AromaticContact CD2-CZ 3.52Å; Y80-F98 HydrophobicContact CD2-CZ 3.52Å; Y80-F98 AromaticContact CE1-CE2 3.81Å; Y80-F98 HydrophobicContact CE1-CE2 3.81Å; Y80-F98 AromaticContact CE1-CZ 3.56Å; Y80-F98 HydrophobicContact CE1-CZ 3.56Å; Y80-F98 HydrophobicContact CE2-CE1 4.39Å; Y80-F98 HydrophobicContact CE2-CE2 4.17Å; Y80-F98 AromaticContact CE2-CZ 3.5Å; Y80-F98 HydrophobicContact CE2-CZ 3.5Å; Y80-F98 VanDerWaalsContact CE2-CZ 3.5Å; Y80-F98 HydrophobicContact CG-CE1 4.18Å; Y80-F98 AromaticContact CG-CZ 3.52Å; Y80-F98 HydrophobicContact CG-CZ 3.52Å; Y80-F98 AromaticContact CZ-CE2 3.76Å; Y80-F98 AromaticContact CZ-CZ 3.5Å |
| 81 | G | 85.9 | Confident | 89.9 | Confident | 6 Ų | 6 | 47 Ų | 47 | 6% | 0.062 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | 166.4 | -174.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | V77 | V77-G81 PolarHBondContact N-O 2.77Å; V77-G81 PolarHBondContact O-N 3.03Å |
| 82 | R | 85.7 | Confident | 89.8 | Confident | 127 Ų | 127 | 54.2 Ų | 54.2 | 48% | 0.479 | 28% | 0.279 | S | S | . | . | trans | -88.3 | 164.3 | 176.4 | -73.1 | -175.5 | 173.8 | 153.3 | 9.3 | 111.6 | L73 D76 F84 D85 L130 | L73-R82 WeakPolarHBondContact CB-O 3.47Å; L73-R82 WeakPolarHBondContact CD1-O 3.34Å; D76-R82 WeakPolarHBondContact OD1-CA 3.14Å; D76-R82 WeakPolarHBondContact OD1-CB 3.47Å; R82-F84 PolarHBondContact O-N 2.92Å; R82-D85 PolarHBondContact N-OD2 3.13Å; R82-D85 VanDerWaalsContact O-CB 3.3Å; R82-D85 WeakPolarHBondContact O-CB 3.3Å; R82-D85 PolarHBondContact O-N 3.49Å; R82-D85 VanDerWaalsContact O-N 3.12Å; R82-L130 HydrophobicContact CG-CD1 3.93Å; R82-L130 VanDerWaalsContact NE-CD1 3.29Å; R82-L130 VanDerWaalsContact NH2-CD2 3.25Å | ||
| 83 | A | 89.4 | Confident | 89.8 | Confident | 30 Ų | 30 | 57 Ų | 57 | 25% | 0.248 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 137.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | D76 D85 | D76-A83 PolarHBondContact OD1-N 3.05Å; A83-D85 PolarHBondContact O-N 3.44Å |
| 84 | F | 90.1 | Very high | 89.9 | Confident | 94 Ų | 94 | 57.1 Ų | 57.1 | 41% | 0.412 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 8.6 | -176 | -48.9 | -73.7 | 0 | 0 | 0 | 116.2 | L73 R82 Y115 | L73-F84 VanDerWaalsContact O-CA 3.31Å; L73-F84 WeakPolarHBondContact O-CA 3.32Å; L73-F84 PolarHBondContact O-N 3.41Å; R82-F84 PolarHBondContact O-N 2.92Å; F84-Y115 HydrophobicContact CD1-CD1 4.29Å; F84-Y115 HydrophobicContact CD1-CG 4.44Å; F84-Y115 AromaticContact CE1-CD1 3.69Å; F84-Y115 HydrophobicContact CE1-CD1 3.69Å; F84-Y115 HydrophobicContact CE1-CE1 4.33Å; F84-Y115 HydrophobicContact CE1-CG 4.28Å |
| 85 | D | 88.8 | Confident | 89.8 | Confident | 31 Ų | 31 | 59.1 Ų | 59.1 | 17% | 0.166 | 30% | 0.302 | C | S | . | . | trans | -76.4 | 149.9 | 167.1 | -72.7 | -17.1 | 0 | 0 | 0 | 111.2 | L73 R82 A83 | L73-D85 PolarHBondContact N-O 3.13Å; R82-D85 PolarHBondContact N-OD2 3.13Å; R82-D85 VanDerWaalsContact O-CB 3.3Å; R82-D85 WeakPolarHBondContact O-CB 3.3Å; R82-D85 PolarHBondContact O-N 3.49Å; R82-D85 VanDerWaalsContact O-N 3.12Å; A83-D85 PolarHBondContact O-N 3.44Å | ||
| 86 | V | 91.1 | Very high | 90 | Very high | 14 Ų | 14 | 61.5 Ų | 61.5 | 9% | 0.085 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 123.5 | 173.4 | -175.6 | 0 | 0 | 0 | 0 | 109.5 | L71 I72 I117 M122 G126 | L71-V86 CarbonylContact O-C 3.24Å; L71-V86 WeakPolarHBondContact O-CA 3.36Å; I72-V86 HydrophobicContact CG1-CG2 4.27Å; V86-I117 HydrophobicContact CG2-CG2 4.4Å; V86-M122 HydrophobicContact CG2-CG 4.18Å; V86-G126 PolarHBondContact O-N 2.94Å |
| 87 | I | 90.3 | Very high | 90.2 | Very high | 14 Ų | 14 | 60.7 Ų | 60.7 | 7% | 0.072 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 149.9 | -179.6 | 65 | 168.8 | 0 | 0 | 0 | 111 | A70 L71 L73 Y80 V89 F98 | A70-I87 CarbonylContact C-O 3.57Å; A70-I87 WeakPolarHBondContact CA-O 3.33Å; L71-I87 HydrophobicContact CB-CG1 4.09Å; L71-I87 PolarHBondContact N-O 3Å; L71-I87 PolarHBondContact O-N 2.91Å; L73-I87 HydrophobicContact CD1-CD1 4.29Å; L73-I87 HydrophobicContact CD1-CG2 4.01Å; L73-I87 HydrophobicContact CD2-CD1 3.65Å; L73-I87 HydrophobicContact CD2-CG1 4.35Å; L73-I87 HydrophobicContact CG-CD1 4.03Å; L73-I87 HydrophobicContact CG-CG1 4.29Å; L73-I87 HydrophobicContact CG-CG2 4.36Å; Y80-I87 HydrophobicContact CD1-CD1 4.13Å; Y80-I87 HydrophobicContact CG-CD1 4.38Å; I87-V89 HydrophobicContact CD1-CG1 3.95Å; I87-V89 HydrophobicContact CG1-CG1 4.44Å; I87-F98 HydrophobicContact CD1-CE1 3.98Å; I87-F98 HydrophobicContact CD1-CE2 4.44Å; I87-F98 HydrophobicContact CD1-CZ 3.89Å |
| 88 | E | 92.6 | Very high | 90.6 | Very high | 101 Ų | 101 | 59.8 Ų | 59.8 | 47% | 0.472 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 122 | 172.3 | -67.8 | 173.9 | 166.4 | 0 | 0 | 108.5 | P68 K125 | P68-E88 HydrophobicContact CB-CB 4.39Å; E88-K125 IonicContact OE1-NZ 3.8Å; E88-K125 IonicContact OE2-NZ 2.75Å; E88-K125 PolarHBondContact OE2-NZ 3.39Å |
| 89 | V | 92.3 | Very high | 91.2 | Very high | 13 Ų | 13 | 56.3 Ų | 56.3 | 8% | 0.079 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 159 | -177.3 | -69.8 | 0 | 0 | 0 | 0 | 111.4 | P68 V69 L71 Y80 I87 A94 F98 | P68-V89 CarbonylContact C-O 3.55Å; P68-V89 WeakPolarHBondContact CA-O 3.38Å; V69-V89 PolarHBondContact N-O 3.31Å; V69-V89 PolarHBondContact O-N 3.32Å; V69-V89 VanDerWaalsContact O-N 3.11Å; L71-V89 HydrophobicContact CD1-CG2 3.65Å; L71-V89 HydrophobicContact CG-CG2 4.24Å; Y80-V89 HydrophobicContact CD1-CG1 3.86Å; Y80-V89 HydrophobicContact CE1-CG1 3.71Å; I87-V89 HydrophobicContact CD1-CG1 3.95Å; I87-V89 HydrophobicContact CG1-CG1 4.44Å; V89-A94 HydrophobicContact CG2-CB 3.86Å; V89-F98 HydrophobicContact CG1-CE2 4.2Å; V89-F98 HydrophobicContact CG2-CD2 4.45Å; V89-F98 HydrophobicContact CG2-CE2 4.39Å |
| 90 | D | 93.6 | Very high | 91.9 | Very high | 75 Ų | 75 | 60.7 Ų | 60.7 | 40% | 0.401 | 30% | 0.298 | S | S | . | . | trans | -62.3 | 146.7 | 173.3 | -179.6 | 37.3 | 0 | 0 | 0 | 111.2 | K92 I93 A94 | D90-K92 VanDerWaalsContact C-N 3.28Å; D90-K92 PolarHBondContact O-N 2.86Å; D90-I93 HydrophobicContact CB-CD1 4.35Å; D90-I93 HydrophobicContact CB-CG1 4.4Å; D90-I93 PolarHBondContact O-N 2.89Å; D90-I93 VanDerWaalsContact O-N 3.09Å; D90-A94 WeakPolarHBondContact O-CB 3.07Å; D90-A94 PolarHBondContact O-N 3.11Å | ||
| 91 | S | 92.5 | Very high | 92.5 | Very high | 42 Ų | 42 | 61 Ų | 61 | 29% | 0.294 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.8 | -37.4 | -174.7 | -176.7 | 0 | 0 | 0 | 0 | 112.7 | I93 A94 H95 | S91-I93 PolarHBondContact O-N 2.72Å; S91-A94 WeakPolarHBondContact O-CB 3.47Å; S91-A94 PolarHBondContact O-N 3.45Å; S91-H95 PolarHBondContact O-N 2.84Å |
| 92 | K | 92 | Very high | 92.9 | Very high | 153 Ų | 153 | 68.9 Ų | 68.9 | 67% | 0.665 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62.5 | -44.2 | 177 | -68.6 | 179.3 | -179.4 | 172.7 | 0 | 111.8 | D90 N96 | D90-K92 VanDerWaalsContact C-N 3.28Å; D90-K92 PolarHBondContact O-N 2.86Å; K92-N96 WeakPolarHBondContact O-CB 3.36Å; K92-N96 PolarHBondContact O-N 2.81Å; K92-N96 VanDerWaalsContact O-N 3.12Å; K92-N96 PolarHBondContact O-ND2 2.78Å |
| 93 | I | 94.1 | Very high | 93.4 | Very high | 58 Ų | 58 | 67.1 Ų | 67.1 | 30% | 0.297 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -70.3 | -44.9 | 179.3 | -56.4 | 178.7 | 0 | 0 | 0 | 109.4 | Y80 D90 S91 H95 N96 E97 F98 | Y80-I93 VanDerWaalsContact OH-CG2 3.3Å; Y80-I93 WeakPolarHBondContact OH-CG2 3.48Å; D90-I93 HydrophobicContact CB-CD1 4.35Å; D90-I93 HydrophobicContact CB-CG1 4.4Å; D90-I93 PolarHBondContact O-N 2.89Å; D90-I93 VanDerWaalsContact O-N 3.09Å; S91-I93 PolarHBondContact O-N 2.72Å; I93-H95 VanDerWaalsContact C-N 3.32Å; I93-H95 PolarHBondContact O-N 3.37Å; I93-N96 PolarHBondContact O-N 2.72Å; I93-E97 HydrophobicContact CG2-CB 4.14Å; I93-E97 HydrophobicContact CG2-CG 4.09Å; I93-E97 WeakPolarHBondContact O-CB 3.31Å; I93-E97 PolarHBondContact O-N 3.12Å; I93-F98 HydrophobicContact CG2-CD2 4.2Å; I93-F98 HydrophobicContact CG2-CE2 3.75Å |
| 94 | A | 95.3 | Very high | 93.7 | Very high | 2 Ų | 2 | 65.9 Ų | 65.9 | 2% | 0.017 | 33% | 0.325 | C | S | . | . | I | π-helix | trans | -50.4 | -51.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | V69 L71 V89 D90 S91 F98 L99 | V69-A94 HydrophobicContact CB-CB 4.18Å; V69-A94 HydrophobicContact CG1-CB 4.46Å; L71-A94 HydrophobicContact CD1-CB 3.88Å; V89-A94 HydrophobicContact CG2-CB 3.86Å; D90-A94 WeakPolarHBondContact O-CB 3.07Å; D90-A94 PolarHBondContact O-N 3.11Å; S91-A94 WeakPolarHBondContact O-CB 3.47Å; S91-A94 PolarHBondContact O-N 3.45Å; A94-F98 WeakPolarHBondContact O-CB 3.27Å; A94-F98 PolarHBondContact O-N 2.75Å; A94-L99 HydrophobicContact CB-CD1 4.49Å; A94-L99 WeakPolarHBondContact O-CB 3.16Å; A94-L99 WeakPolarHBondContact O-CG 3.41Å; A94-L99 PolarHBondContact O-N 2.87Å |
| 95 | H | 93.6 | Very high | 94 | Very high | 101 Ų | 101 | 62.8 Ų | 62.8 | 47% | 0.468 | 31% | 0.314 | S | S | . | . | I | π-helix | trans | -68.5 | -50.2 | -177.7 | -171.9 | -77.1 | 0 | 0 | 0 | 112 | S91 I93 L100 | S91-H95 PolarHBondContact O-N 2.84Å; I93-H95 VanDerWaalsContact C-N 3.32Å; I93-H95 PolarHBondContact O-N 3.37Å; H95-L100 WeakPolarHBondContact O-CB 3.34Å; H95-L100 PolarHBondContact O-N 3.03Å |
| 96 | N | 95.4 | Very high | 94.4 | Very high | 102 Ų | 102 | 67.1 Ų | 67.1 | 55% | 0.545 | 33% | 0.329 | S | S | . | . | I | π-helix | trans | -80.5 | -41.6 | -169.2 | -65.4 | -21.9 | 0 | 0 | 0 | 113.5 | K92 I93 P101 | K92-N96 WeakPolarHBondContact O-CB 3.36Å; K92-N96 PolarHBondContact O-N 2.81Å; K92-N96 VanDerWaalsContact O-N 3.12Å; K92-N96 PolarHBondContact O-ND2 2.78Å; I93-N96 PolarHBondContact O-N 2.72Å; N96-P101 WeakPolarHBondContact O-CD 3.47Å |
| 97 | E | 95 | Very high | 94.5 | Very high | 96 Ų | 96 | 67.3 Ų | 67.3 | 45% | 0.449 | 33% | 0.333 | S | S | . | . | I | π-helix | trans | -94.2 | -24.5 | -173.5 | -64.5 | -168.6 | 179.7 | 0 | 0 | 113.9 | Y80 I93 P101 | Y80-E97 PolarHBondContact OH-OE2 3.45Å; I93-E97 HydrophobicContact CG2-CB 4.14Å; I93-E97 HydrophobicContact CG2-CG 4.09Å; I93-E97 WeakPolarHBondContact O-CB 3.31Å; I93-E97 PolarHBondContact O-N 3.12Å; E97-P101 VanDerWaalsContact C-CG 3.45Å; E97-P101 WeakPolarHBondContact O-CG 3.5Å |
| 98 | F | 96 | Very high | 94.7 | Very high | 1 Ų | 1 | 69 Ų | 69 | 0% | 0.004 | 35% | 0.345 | C | S | . | . | I | π-helix | trans | -115.5 | -59 | -172.3 | -65.4 | -79.8 | 0 | 0 | 0 | 113.8 | L71 L73 V77 Y80 I87 V89 I93 A94 K102 K103 A104 | L71-F98 HydrophobicContact CD1-CB 3.83Å; L71-F98 HydrophobicContact CD1-CD2 4.13Å; L71-F98 HydrophobicContact CD1-CG 4.04Å; L73-F98 HydrophobicContact CD2-CD1 3.93Å; L73-F98 HydrophobicContact CD2-CE1 3.75Å; V77-F98 HydrophobicContact CB-CE1 4.39Å; V77-F98 HydrophobicContact CG1-CE1 4.07Å; V77-F98 HydrophobicContact CG2-CE1 4.24Å; Y80-F98 HydrophobicContact CD1-CE2 4.19Å; Y80-F98 AromaticContact CD1-CZ 3.56Å; Y80-F98 HydrophobicContact CD1-CZ 3.56Å; Y80-F98 HydrophobicContact CD2-CE1 4.14Å; Y80-F98 AromaticContact CD2-CZ 3.52Å; Y80-F98 HydrophobicContact CD2-CZ 3.52Å; Y80-F98 AromaticContact CE1-CE2 3.81Å; Y80-F98 HydrophobicContact CE1-CE2 3.81Å; Y80-F98 AromaticContact CE1-CZ 3.56Å; Y80-F98 HydrophobicContact CE1-CZ 3.56Å; Y80-F98 HydrophobicContact CE2-CE1 4.39Å; Y80-F98 HydrophobicContact CE2-CE2 4.17Å; Y80-F98 AromaticContact CE2-CZ 3.5Å; Y80-F98 HydrophobicContact CE2-CZ 3.5Å; Y80-F98 VanDerWaalsContact CE2-CZ 3.5Å; Y80-F98 HydrophobicContact CG-CE1 4.18Å; Y80-F98 AromaticContact CG-CZ 3.52Å; Y80-F98 HydrophobicContact CG-CZ 3.52Å; Y80-F98 AromaticContact CZ-CE2 3.76Å; Y80-F98 AromaticContact CZ-CZ 3.5Å; I87-F98 HydrophobicContact CD1-CE1 3.98Å; I87-F98 HydrophobicContact CD1-CE2 4.44Å; I87-F98 HydrophobicContact CD1-CZ 3.89Å; V89-F98 HydrophobicContact CG1-CE2 4.2Å; V89-F98 HydrophobicContact CG2-CD2 4.45Å; V89-F98 HydrophobicContact CG2-CE2 4.39Å; I93-F98 HydrophobicContact CG2-CD2 4.2Å; I93-F98 HydrophobicContact CG2-CE2 3.75Å; A94-F98 WeakPolarHBondContact O-CB 3.27Å; A94-F98 PolarHBondContact O-N 2.75Å; F98-K102 CarbonylContact O-C 3.6Å; F98-K102 WeakPolarHBondContact O-CA 3.46Å; F98-K102 PolarHBondContact O-N 3.37Å; F98-K102 VanDerWaalsContact O-N 3.1Å; F98-K103 HydrophobicContact CD1-CB 4.33Å; F98-K103 PolarHBondContact O-N 3Å; F98-A104 HydrophobicContact CB-CB 3.8Å; F98-A104 HydrophobicContact CD1-CB 4.04Å; F98-A104 HydrophobicContact CG-CB 4.28Å; F98-A104 PolarHBondContact O-N 2.75Å |
| 99 | L | 96.1 | Very high | 94.7 | Very high | 32 Ų | 32 | 70.4 Ų | 70.4 | 17% | 0.168 | 35% | 0.352 | C | S | . | . | I | π-helix | trans | -72.6 | -47.3 | -171.9 | -67.8 | 168.5 | 0 | 0 | 0 | 111.6 | L71 A94 K102 Y106 | L71-L99 HydrophobicContact CD2-CD1 4.37Å; L71-L99 HydrophobicContact CD2-CD2 4.01Å; L71-L99 HydrophobicContact CD2-CG 4.27Å; A94-L99 HydrophobicContact CB-CD1 4.49Å; A94-L99 WeakPolarHBondContact O-CB 3.16Å; A94-L99 WeakPolarHBondContact O-CG 3.41Å; A94-L99 PolarHBondContact O-N 2.87Å; L99-K102 PolarHBondContact O-N 2.8Å; L99-Y106 HydrophobicContact CD1-CE1 3.77Å; L99-Y106 HydrophobicContact CD1-CE2 3.79Å; L99-Y106 VanDerWaalsContact CD1-OH 3.28Å; L99-Y106 WeakPolarHBondContact CD1-OH 3.45Å; L99-Y106 HydrophobicContact CD2-CD2 4.09Å; L99-Y106 HydrophobicContact CD2-CE2 3.99Å; L99-Y106 HydrophobicContact CD2-CG 4.48Å |
| 100 | L | 96 | Very high | 94.8 | Very high | 124 Ų | 124 | 76.9 Ų | 76.9 | 65% | 0.649 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -48.9 | 178.6 | -176 | 67 | 0 | 0 | 0 | 112.7 | H95 K102 | H95-L100 WeakPolarHBondContact O-CB 3.34Å; H95-L100 PolarHBondContact O-N 3.03Å; L100-K102 PolarHBondContact O-N 3.1Å |
| 101 | P | 95.8 | Very high | 94.9 | Very high | 65 Ų | 65 | 74.2 Ų | 74.2 | 42% | 0.422 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 4.6 | 173.9 | 31.3 | -35.6 | 0 | 0 | 0 | 114.3 | N96 E97 K103 | N96-P101 WeakPolarHBondContact O-CD 3.47Å; E97-P101 VanDerWaalsContact C-CG 3.45Å; E97-P101 WeakPolarHBondContact O-CG 3.5Å; P101-K103 VanDerWaalsContact C-N 3.32Å; P101-K103 HydrophobicContact CB-CG 4.33Å; P101-K103 HydrophobicContact CG-CD 4.32Å; P101-K103 HydrophobicContact CG-CG 4.16Å; P101-K103 PolarHBondContact O-N 3.33Å |
| 102 | K | 96 | Very high | 94.8 | Very high | 172 Ų | 172 | 74.4 Ų | 74.4 | 75% | 0.748 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 35.1 | -179.9 | -54.9 | -179.4 | 179.4 | 179.2 | 0 | 114.8 | F98 L99 L100 | F98-K102 CarbonylContact O-C 3.6Å; F98-K102 WeakPolarHBondContact O-CA 3.46Å; F98-K102 PolarHBondContact O-N 3.37Å; F98-K102 VanDerWaalsContact O-N 3.1Å; L99-K102 PolarHBondContact O-N 2.8Å; L100-K102 PolarHBondContact O-N 3.1Å |
| 103 | K | 95.6 | Very high | 94.8 | Very high | 89 Ų | 89 | 76 Ų | 76 | 39% | 0.387 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -81.6 | -21.4 | 173.2 | -63.7 | -177.4 | -177 | 173.9 | 0 | 113.2 | L74 V77 F98 P101 | L74-K103 WeakPolarHBondContact CB-O 3.23Å; L74-K103 PolarHBondContact N-O 3.41Å; V77-K103 HydrophobicContact CG2-CD 4.48Å; F98-K103 HydrophobicContact CD1-CB 4.33Å; F98-K103 PolarHBondContact O-N 3Å; P101-K103 VanDerWaalsContact C-N 3.32Å; P101-K103 HydrophobicContact CB-CG 4.33Å; P101-K103 HydrophobicContact CG-CD 4.32Å; P101-K103 HydrophobicContact CG-CG 4.16Å; P101-K103 PolarHBondContact O-N 3.33Å |
| 104 | A | 96.1 | Very high | 94.8 | Very high | 4 Ų | 4 | 77.9 Ų | 77.9 | 3% | 0.033 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 166.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L71 I72 L73 F98 | L71-A104 HydrophobicContact CB-CB 4.05Å; L71-A104 HydrophobicContact CD1-CB 4.15Å; I72-A104 CarbonylContact O-C 3.59Å; I72-A104 WeakPolarHBondContact O-CA 3.42Å; I72-A104 VanDerWaalsContact O-CB 3.27Å; I72-A104 WeakPolarHBondContact O-CB 3.31Å; L73-A104 HydrophobicContact CD2-CB 4.03Å; F98-A104 HydrophobicContact CB-CB 3.8Å; F98-A104 HydrophobicContact CD1-CB 4.04Å; F98-A104 HydrophobicContact CG-CB 4.28Å; F98-A104 PolarHBondContact O-N 2.75Å |
| 105 | V | 96.5 | Very high | 94.7 | Very high | 30 Ų | 30 | 81.2 Ų | 81.2 | 18% | 0.182 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 153.8 | 175 | -161.8 | 0 | 0 | 0 | 0 | 108.9 | L71 I72 L74 N111 Y115 | L71-V105 CarbonylContact C-O 3.42Å; L71-V105 WeakPolarHBondContact CA-O 3.28Å; I72-V105 PolarHBondContact N-O 3.09Å; I72-V105 PolarHBondContact O-N 2.62Å; L74-V105 HydrophobicContact CD1-CG2 3.6Å; L74-V105 HydrophobicContact CD2-CG2 3.82Å; L74-V105 HydrophobicContact CG-CG2 3.81Å; V105-N111 WeakPolarHBondContact CG1-ND2 3.41Å; V105-Y115 HydrophobicContact CG2-CE2 4.17Å |
| 106 | Y | 96.5 | Very high | 94.5 | Very high | 121 Ų | 121 | 83.4 Ų | 83.4 | 48% | 0.475 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.6 | 141 | 171.8 | -70 | -73 | 0 | 0 | 0 | 112.4 | V69 L71 L99 S108 N111 | V69-Y106 HydrophobicContact CG1-CD1 3.86Å; V69-Y106 HydrophobicContact CG1-CE1 3.73Å; L71-Y106 HydrophobicContact CD2-CD1 4.01Å; L71-Y106 HydrophobicContact CD2-CE1 4.44Å; L99-Y106 HydrophobicContact CD1-CE1 3.77Å; L99-Y106 HydrophobicContact CD1-CE2 3.79Å; L99-Y106 VanDerWaalsContact CD1-OH 3.28Å; L99-Y106 WeakPolarHBondContact CD1-OH 3.45Å; L99-Y106 HydrophobicContact CD2-CD2 4.09Å; L99-Y106 HydrophobicContact CD2-CE2 3.99Å; L99-Y106 HydrophobicContact CD2-CG 4.48Å; Y106-S108 PolarHBondContact O-N 2.79Å; Y106-N111 WeakPolarHBondContact O-CB 3.16Å; Y106-N111 PolarHBondContact O-ND2 3.09Å |
| 107 | A | 93.6 | Very high | 94 | Very high | 19 Ų | 19 | 79.4 Ų | 79.4 | 16% | 0.157 | 38% | 0.379 | C | S | . | . | trans | -76.4 | 45.8 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | A70 I72 Q112 M122 | A70-A107 HydrophobicContact CB-CB 3.84Å; A70-A107 WeakPolarHBondContact O-CB 3.46Å; A70-A107 PolarHBondContact O-N 3.48Å; I72-A107 HydrophobicContact CD1-CB 4.36Å; I72-A107 HydrophobicContact CG1-CB 4.14Å; A107-Q112 PolarHBondContact O-NE2 3.44Å; A107-M122 HydrophobicContact CB-CE 4.49Å | ||
| 108 | S | 93.2 | Very high | 93.4 | Very high | 48 Ų | 48 | 77 Ų | 77 | 34% | 0.336 | 37% | 0.373 | S | S | . | . | trans | -73.1 | 154.7 | 175.8 | 69.7 | 0 | 0 | 0 | 0 | 111.6 | Y106 F110 N111 Q112 | Y106-S108 PolarHBondContact O-N 2.79Å; S108-F110 PolarHBondContact O-N 3.02Å; S108-F110 VanDerWaalsContact O-N 3.15Å; S108-N111 PolarHBondContact O-N 3.18Å; S108-N111 PolarHBondContact OG-N 2.84Å; S108-N111 PolarHBondContact OG-ND2 3.25Å; S108-Q112 VanDerWaalsContact O-CG 3.28Å; S108-Q112 WeakPolarHBondContact O-CG 3.45Å; S108-Q112 PolarHBondContact O-N 3.39Å | ||
| 109 | E | 92.6 | Very high | 92.6 | Very high | 132 Ų | 132 | 81.5 Ų | 81.5 | 62% | 0.617 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -55.5 | -34.1 | 176.4 | -64 | -172.5 | -179.7 | 0 | 0 | 112.6 | Q112 R113 | E109-Q112 PolarHBondContact O-N 3.45Å; E109-R113 WeakPolarHBondContact O-CG 3.42Å; E109-R113 PolarHBondContact O-N 3.03Å |
| 110 | F | 95.1 | Very high | 91.9 | Very high | 148 Ų | 148 | 87.3 Ų | 87.3 | 65% | 0.649 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -61.2 | -48.8 | 174.8 | 175.4 | -97.9 | 0 | 0 | 0 | 111.8 | S108 R113 L114 | S108-F110 PolarHBondContact O-N 3.02Å; S108-F110 VanDerWaalsContact O-N 3.15Å; F110-R113 PolarHBondContact O-N 2.99Å; F110-L114 HydrophobicContact CE1-CD2 4.36Å; F110-L114 PolarHBondContact O-N 2.86Å |
| 111 | N | 94.9 | Very high | 90.8 | Very high | 19 Ų | 19 | 86.7 Ų | 86.7 | 10% | 0.102 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -71.1 | -32.9 | -179.4 | -67.9 | -33.7 | 0 | 0 | 0 | 112.2 | I72 V105 Y106 S108 R113 L114 Y115 | I72-N111 HydrophobicContact CD1-CB 4.02Å; V105-N111 WeakPolarHBondContact CG1-ND2 3.41Å; Y106-N111 WeakPolarHBondContact O-CB 3.16Å; Y106-N111 PolarHBondContact O-ND2 3.09Å; S108-N111 PolarHBondContact O-N 3.18Å; S108-N111 PolarHBondContact OG-N 2.84Å; S108-N111 PolarHBondContact OG-ND2 3.25Å; N111-R113 VanDerWaalsContact C-N 3.29Å; N111-R113 PolarHBondContact O-N 3.21Å; N111-L114 PolarHBondContact O-N 3.38Å; N111-Y115 HydrophobicContact CB-CD2 4.3Å; N111-Y115 HydrophobicContact CB-CE2 4.37Å; N111-Y115 WeakPolarHBondContact O-CD2 3.48Å; N111-Y115 PolarHBondContact O-N 3.33Å |
| 112 | Q | 90.8 | Very high | 89.5 | Confident | 46 Ų | 46 | 86.5 Ų | 86.5 | 22% | 0.215 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -58.5 | -44.2 | 173.7 | -67.3 | 164.2 | 29.9 | 0 | 0 | 111.2 | A107 S108 E109 N116 I117 M122 | A107-Q112 PolarHBondContact O-NE2 3.44Å; S108-Q112 VanDerWaalsContact O-CG 3.28Å; S108-Q112 WeakPolarHBondContact O-CG 3.45Å; S108-Q112 PolarHBondContact O-N 3.39Å; E109-Q112 PolarHBondContact O-N 3.45Å; Q112-N116 PolarHBondContact O-N 3Å; Q112-N116 VanDerWaalsContact O-N 3.1Å; Q112-I117 PolarHBondContact O-N 3.48Å; Q112-I117 VanDerWaalsContact O-N 3.13Å; Q112-M122 HydrophobicContact CG-CE 4.21Å; Q112-M122 HydrophobicContact CG-SD 3.74Å; Q112-M122 VanDerWaalsContact NE2-CE 3.3Å; Q112-M122 PolarHBondContact OE1-SD 3.08Å |
| 113 | R | 92.9 | Very high | 88.2 | Confident | 186 Ų | 186 | 87 Ų | 87 | 70% | 0.702 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -67.4 | -42.8 | 174.9 | -66.4 | 176.5 | -166.5 | -178.3 | 6.9 | 111.7 | E109 F110 N111 Y115 N116 | E109-R113 WeakPolarHBondContact O-CG 3.42Å; E109-R113 PolarHBondContact O-N 3.03Å; F110-R113 PolarHBondContact O-N 2.99Å; N111-R113 VanDerWaalsContact C-N 3.29Å; N111-R113 PolarHBondContact O-N 3.21Å; R113-Y115 VanDerWaalsContact C-N 3.33Å; R113-Y115 PolarHBondContact O-N 3.39Å; R113-N116 PolarHBondContact O-N 2.89Å; R113-N116 PolarHBondContact O-OD1 3.42Å |
| 114 | L | 93.9 | Very high | 86.9 | Confident | 98 Ų | 98 | 86 Ų | 86 | 51% | 0.513 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.3 | -41.2 | -179.5 | -175.7 | 64.2 | 0 | 0 | 0 | 112.5 | F110 N111 | F110-L114 HydrophobicContact CE1-CD2 4.36Å; F110-L114 PolarHBondContact O-N 2.86Å; N111-L114 PolarHBondContact O-N 3.38Å |
| 115 | Y | 92.2 | Very high | 85.3 | Confident | 72 Ų | 72 | 92.3 Ų | 92.3 | 28% | 0.282 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 5.7 | -177.7 | -63.5 | -65.5 | 0 | 0 | 0 | 114.1 | I72 L74 F84 V105 N111 R113 I117 | I72-Y115 HydrophobicContact CG2-CD2 4.46Å; L74-Y115 HydrophobicContact CD2-CD1 4.5Å; L74-Y115 HydrophobicContact CD2-CE1 3.72Å; L74-Y115 HydrophobicContact CD2-CE2 4.02Å; L74-Y115 VanDerWaalsContact CD2-CZ 3.46Å; L74-Y115 WeakPolarHBondContact CD2-OH 3.36Å; F84-Y115 HydrophobicContact CD1-CD1 4.29Å; F84-Y115 HydrophobicContact CD1-CG 4.44Å; F84-Y115 AromaticContact CE1-CD1 3.69Å; F84-Y115 HydrophobicContact CE1-CD1 3.69Å; F84-Y115 HydrophobicContact CE1-CE1 4.33Å; F84-Y115 HydrophobicContact CE1-CG 4.28Å; V105-Y115 HydrophobicContact CG2-CE2 4.17Å; N111-Y115 HydrophobicContact CB-CD2 4.3Å; N111-Y115 HydrophobicContact CB-CE2 4.37Å; N111-Y115 WeakPolarHBondContact O-CD2 3.48Å; N111-Y115 PolarHBondContact O-N 3.33Å; R113-Y115 VanDerWaalsContact C-N 3.33Å; R113-Y115 PolarHBondContact O-N 3.39Å; Y115-I117 VanDerWaalsContact C-N 3.25Å; Y115-I117 PolarHBondContact O-N 3.12Å |
| 116 | N | 89.9 | Confident | 83.5 | Confident | 147 Ų | 147 | 91.4 Ų | 91.4 | 79% | 0.786 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 41.8 | -178.9 | -63.9 | -50.8 | 0 | 0 | 0 | 113.8 | Q112 R113 S118 | Q112-N116 PolarHBondContact O-N 3Å; Q112-N116 VanDerWaalsContact O-N 3.1Å; R113-N116 PolarHBondContact O-N 2.89Å; R113-N116 PolarHBondContact O-OD1 3.42Å; N116-S118 PolarHBondContact O-N 3.29Å |
| 117 | I | 84.6 | Confident | 81.6 | Confident | 18 Ų | 18 | 88 Ų | 88 | 9% | 0.092 | 44% | 0.439 | C | S | . | . | trans | -80.1 | 123.8 | -179.3 | -61.6 | 173.4 | 0 | 0 | 0 | 108.6 | I72 V86 Q112 Y115 K121 M122 | I72-I117 HydrophobicContact CB-CD1 4.13Å; I72-I117 HydrophobicContact CD1-CD1 3.59Å; I72-I117 HydrophobicContact CG1-CD1 3.64Å; I72-I117 HydrophobicContact CG2-CD1 3.35Å; V86-I117 HydrophobicContact CG2-CG2 4.4Å; Q112-I117 PolarHBondContact O-N 3.48Å; Q112-I117 VanDerWaalsContact O-N 3.13Å; Y115-I117 VanDerWaalsContact C-N 3.25Å; Y115-I117 PolarHBondContact O-N 3.12Å; I117-K121 HydrophobicContact CG2-CB 4.1Å; I117-M122 HydrophobicContact CG2-CG 4.18Å | ||
| 118 | S | 82.9 | Confident | 80.1 | Confident | 45 Ų | 45 | 95.4 Ų | 95.4 | 32% | 0.315 | 46% | 0.463 | S | S | . | . | trans | -65.6 | 143.4 | 178.1 | 65.9 | 0 | 0 | 0 | 0 | 110.8 | N116 E120 K121 M122 | N116-S118 PolarHBondContact O-N 3.29Å; S118-E120 PolarHBondContact O-N 2.94Å; S118-E120 VanDerWaalsContact O-N 3.15Å; S118-K121 WeakPolarHBondContact O-CB 2.97Å; S118-K121 PolarHBondContact O-N 3.18Å; S118-K121 WeakPolarHBondContact OG-CB 3.46Å; S118-K121 WeakPolarHBondContact OG-CG 3.15Å; S118-K121 PolarHBondContact OG-N 3.39Å; S118-M122 PolarHBondContact O-N 3.4Å | ||
| 119 | P | 78.5 | Confident | 78.5 | Confident | 97 Ų | 97 | 99.4 Ų | 99.4 | 63% | 0.63 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.6 | -23.4 | 177.2 | 26.3 | -35 | 0 | 0 | 0 | 112 | M122 K123 | P119-M122 WeakPolarHBondContact O-CB 3.19Å; P119-M122 PolarHBondContact O-N 3.2Å; P119-K123 PolarHBondContact O-N 3.47Å |
| 120 | E | 81.4 | Confident | 76.9 | Confident | 153 Ų | 153 | 94.4 Ų | 94.4 | 72% | 0.715 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -65.9 | -44.3 | 172.2 | -63.5 | -179.9 | 175.9 | 0 | 0 | 111.7 | S118 M122 K123 S124 | S118-E120 PolarHBondContact O-N 2.94Å; S118-E120 VanDerWaalsContact O-N 3.15Å; E120-M122 PolarHBondContact O-N 2.88Å; E120-K123 PolarHBondContact O-N 2.72Å; E120-S124 PolarHBondContact O-N 3.2Å; E120-S124 PolarHBondContact O-OG 3.31Å |
| 121 | K | 73.6 | Confident | 75.5 | Confident | 112 Ų | 112 | 87.9 Ų | 87.9 | 49% | 0.487 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63 | -29.5 | 175.5 | -82.8 | -173.7 | 176.6 | -169.3 | 0 | 112.7 | I117 S118 S124 | I117-K121 HydrophobicContact CG2-CB 4.1Å; S118-K121 WeakPolarHBondContact O-CB 2.97Å; S118-K121 PolarHBondContact O-N 3.18Å; S118-K121 WeakPolarHBondContact OG-CB 3.46Å; S118-K121 WeakPolarHBondContact OG-CG 3.15Å; S118-K121 PolarHBondContact OG-N 3.39Å; K121-S124 VanDerWaalsContact CA-OG 3.32Å; K121-S124 WeakPolarHBondContact CA-OG 3.36Å; K121-S124 PolarHBondContact O-OG 3.47Å; K121-S124 VanDerWaalsContact O-OG 3.06Å |
| 122 | M | 68 | Low | 74.5 | Confident | 60 Ų | 60 | 93 Ų | 93 | 30% | 0.296 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -68 | -35.3 | 173.2 | -67.1 | -166.4 | 70.6 | 0 | 0 | 112.8 | V86 A107 Q112 I117 S118 P119 E120 | V86-M122 HydrophobicContact CG2-CG 4.18Å; A107-M122 HydrophobicContact CB-CE 4.49Å; Q112-M122 HydrophobicContact CG-CE 4.21Å; Q112-M122 HydrophobicContact CG-SD 3.74Å; Q112-M122 VanDerWaalsContact NE2-CE 3.3Å; Q112-M122 PolarHBondContact OE1-SD 3.08Å; I117-M122 HydrophobicContact CG2-CG 4.18Å; S118-M122 PolarHBondContact O-N 3.4Å; P119-M122 WeakPolarHBondContact O-CB 3.19Å; P119-M122 PolarHBondContact O-N 3.2Å; E120-M122 PolarHBondContact O-N 2.88Å |
| 123 | K | 69.5 | Low | 73.7 | Confident | 182 Ų | 182 | 92.8 Ų | 92.8 | 79% | 0.791 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -77.2 | -34.8 | 178.5 | -68.5 | -178.7 | -179.4 | 179.6 | 0 | 111.6 | P119 E120 K125 | P119-K123 PolarHBondContact O-N 3.47Å; E120-K123 PolarHBondContact O-N 2.72Å; K123-K125 PolarHBondContact O-N 3.43Å |
| 124 | S | 67.3 | Low | 72.8 | Confident | 69 Ų | 69 | 89.6 Ų | 89.6 | 48% | 0.483 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -73.2 | 97.2 | 171.7 | 63.9 | 0 | 0 | 0 | 0 | 108.9 | E120 K121 G126 | E120-S124 PolarHBondContact O-N 3.2Å; E120-S124 PolarHBondContact O-OG 3.31Å; K121-S124 VanDerWaalsContact CA-OG 3.32Å; K121-S124 WeakPolarHBondContact CA-OG 3.36Å; K121-S124 PolarHBondContact O-OG 3.47Å; K121-S124 VanDerWaalsContact O-OG 3.06Å; S124-G126 PolarHBondContact O-N 3.24Å; S124-G126 VanDerWaalsContact O-N 3.13Å |
| 125 | K | 63.3 | Low | 72.1 | Confident | 137 Ų | 137 | 89.3 Ų | 89.3 | 60% | 0.596 | 44% | 0.437 | S | S | * | . | trans | -48.9 | 125.3 | 171 | -66.3 | -168.9 | 179.6 | -147.2 | 0 | 108.4 | E88 K123 S127 | E88-K125 IonicContact OE1-NZ 3.8Å; E88-K125 IonicContact OE2-NZ 2.75Å; E88-K125 PolarHBondContact OE2-NZ 3.39Å; K123-K125 PolarHBondContact O-N 3.43Å; K125-S127 PolarHBondContact O-N 3.05Å | ||
| 126 | G | 58.8 | Low | 71.6 | Confident | 10 Ų | 10 | 88.1 Ų | 88.1 | 10% | 0.103 | 44% | 0.438 | C | S | . | . | trans | -43 | 134.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V86 S124 R128 | V86-G126 PolarHBondContact O-N 2.94Å; S124-G126 PolarHBondContact O-N 3.24Å; S124-G126 VanDerWaalsContact O-N 3.13Å; G126-R128 PolarHBondContact O-N 2.76Å | ||
| 127 | S | 56.9 | Low | 71.1 | Confident | 50 Ų | 50 | 82 Ų | 82 | 35% | 0.35 | 41% | 0.406 | S | S | . | . | trans | -67.3 | 93.9 | -168.7 | 57.7 | 0 | 0 | 0 | 0 | 110.3 | K125 L129 L130 | K125-S127 PolarHBondContact O-N 3.05Å; S127-L129 PolarHBondContact O-N 3.18Å; S127-L130 PolarHBondContact O-N 3.25Å; S127-L130 VanDerWaalsContact OG-CD1 3.31Å; S127-L130 WeakPolarHBondContact OG-CD1 3.3Å | ||
| 128 | R | 60.8 | Low | 71 | Confident | 175 Ų | 175 | 87.9 Ų | 87.9 | 66% | 0.66 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -53.3 | -20.3 | 174.4 | -65.1 | 179.9 | 177.9 | 172.1 | -2.6 | 112.9 | G126 L130 T131 F132 | G126-R128 PolarHBondContact O-N 2.76Å; R128-L130 PolarHBondContact O-N 2.75Å; R128-T131 WeakPolarHBondContact O-CB 3.07Å; R128-T131 PolarHBondContact O-N 3.02Å; R128-T131 PolarHBondContact O-OG1 3.18Å; R128-F132 HydrophobicContact CB-CE2 4.11Å; R128-F132 WeakPolarHBondContact O-CD2 3.38Å; R128-F132 PolarHBondContact O-N 2.97Å |
| 129 | L | 60.6 | Low | 71.2 | Confident | 131 Ų | 131 | 90.9 Ų | 90.9 | 69% | 0.686 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -55 | -50.7 | -178.7 | -63.5 | 172.8 | 0 | 0 | 0 | 112.5 | S127 T131 F132 E133 | S127-L129 PolarHBondContact O-N 3.18Å; L129-T131 PolarHBondContact O-N 2.84Å; L129-F132 PolarHBondContact O-N 3.42Å; L129-F132 VanDerWaalsContact O-N 3.08Å; L129-E133 PolarHBondContact O-N 3.08Å |
| 130 | L | 59.7 | Low | 71.5 | Confident | 28 Ų | 28 | 86.3 Ų | 86.3 | 15% | 0.147 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -62.4 | -32.5 | -176 | -62.7 | 169.6 | 0 | 0 | 0 | 112.5 | R82 S127 R128 E133 H134 | R82-L130 HydrophobicContact CG-CD1 3.93Å; R82-L130 VanDerWaalsContact NE-CD1 3.29Å; R82-L130 VanDerWaalsContact NH2-CD2 3.25Å; S127-L130 PolarHBondContact O-N 3.25Å; S127-L130 VanDerWaalsContact OG-CD1 3.31Å; S127-L130 WeakPolarHBondContact OG-CD1 3.3Å; R128-L130 PolarHBondContact O-N 2.75Å; L130-E133 WeakPolarHBondContact O-CB 3.25Å; L130-E133 PolarHBondContact O-N 2.8Å; L130-H134 PolarHBondContact O-N 3.35Å |
| 131 | T | 65.4 | Low | 71.6 | Confident | 10 Ų | 10 | 84.3 Ų | 84.3 | 6% | 0.061 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 177.3 | -51.1 | 0 | 0 | 0 | 0 | 112.3 | G79 R128 L129 E133 K135 | G79-T131 WeakPolarHBondContact O-CG2 3.3Å; R128-T131 WeakPolarHBondContact O-CB 3.07Å; R128-T131 PolarHBondContact O-N 3.02Å; R128-T131 PolarHBondContact O-OG1 3.18Å; L129-T131 PolarHBondContact O-N 2.84Å; T131-E133 VanDerWaalsContact C-N 3.33Å; T131-K135 PolarHBondContact O-N 3.1Å |
| 132 | F | 73.9 | Confident | 72.1 | Confident | 128 Ų | 128 | 83.6 Ų | 83.6 | 56% | 0.561 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -68 | -38 | 177.6 | -69.2 | -70.5 | 0 | 0 | 0 | 110.7 | R128 L129 H134 K135 T136 | R128-F132 HydrophobicContact CB-CE2 4.11Å; R128-F132 WeakPolarHBondContact O-CD2 3.38Å; R128-F132 PolarHBondContact O-N 2.97Å; L129-F132 PolarHBondContact O-N 3.42Å; L129-F132 VanDerWaalsContact O-N 3.08Å; F132-H134 VanDerWaalsContact C-N 3.33Å; F132-H134 PolarHBondContact O-N 3.35Å; F132-K135 PolarHBondContact O-N 3.36Å; F132-T136 WeakPolarHBondContact O-CB 3.48Å; F132-T136 PolarHBondContact O-N 3.4Å; F132-T136 PolarHBondContact O-OG1 3.01Å |
| 133 | E | 73.9 | Confident | 73 | Confident | 41 Ų | 41 | 82.4 Ų | 82.4 | 19% | 0.192 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -57.2 | -43.7 | 177.7 | -65.8 | 179.2 | 160.1 | 0 | 0 | 112.3 | L129 L130 T131 S137 S204 | L129-E133 PolarHBondContact O-N 3.08Å; L130-E133 WeakPolarHBondContact O-CB 3.25Å; L130-E133 PolarHBondContact O-N 2.8Å; T131-E133 VanDerWaalsContact C-N 3.33Å; E133-S137 WeakPolarHBondContact O-CB 3.31Å; E133-S137 PolarHBondContact O-N 2.81Å; E133-S204 VanDerWaalsContact OE1-CB 3.3Å; E133-S204 WeakPolarHBondContact OE1-CB 3.36Å; E133-S204 PolarHBondContact OE1-OG 3.46Å |
| 134 | H | 74.2 | Confident | 73.8 | Confident | 119 Ų | 119 | 78.6 Ų | 78.6 | 55% | 0.551 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -66.4 | -41.5 | 176.9 | -76.3 | -42.4 | 0 | 0 | 0 | 113.2 | L130 F132 S137 K138 | L130-H134 PolarHBondContact O-N 3.35Å; F132-H134 VanDerWaalsContact C-N 3.33Å; F132-H134 PolarHBondContact O-N 3.35Å; H134-S137 WeakPolarHBondContact O-CB 3.4Å; H134-S137 PolarHBondContact O-N 3.03Å; H134-K138 PolarHBondContact O-N 2.95Å |
| 135 | K | 78.9 | Confident | 74.8 | Confident | 91 Ų | 91 | 75.3 Ų | 75.3 | 40% | 0.396 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.9 | -49.3 | 176.1 | -74.9 | -176.4 | 176 | -177.7 | 0 | 111.3 | E78 T131 F132 S137 K138 Q139 | E78-K135 HydrophobicContact CG-CG 4.28Å; E78-K135 WeakPolarHBondContact OE1-CG 3.43Å; T131-K135 PolarHBondContact O-N 3.1Å; F132-K135 PolarHBondContact O-N 3.36Å; K135-S137 VanDerWaalsContact C-N 3.32Å; K135-S137 PolarHBondContact O-N 2.84Å; K135-K138 PolarHBondContact O-N 3.44Å; K135-Q139 WeakPolarHBondContact O-CG 3.14Å; K135-Q139 PolarHBondContact O-N 3.08Å; K135-Q139 VanDerWaalsContact O-N 3.08Å |
| 136 | T | 81.4 | Confident | 75.9 | Confident | 48 Ų | 48 | 72.5 Ų | 72.5 | 29% | 0.294 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61 | -41.9 | 177 | -58.8 | 0 | 0 | 0 | 0 | 110.9 | F132 K138 Q139 L140 | F132-T136 WeakPolarHBondContact O-CB 3.48Å; F132-T136 PolarHBondContact O-N 3.4Å; F132-T136 PolarHBondContact O-OG1 3.01Å; T136-K138 PolarHBondContact O-N 2.95Å; T136-Q139 PolarHBondContact O-N 3.43Å; T136-L140 HydrophobicContact CG2-CD1 3.93Å; T136-L140 HydrophobicContact CG2-CG 4.27Å; T136-L140 WeakPolarHBondContact O-CB 3.33Å; T136-L140 VanDerWaalsContact O-CG 3.3Å; T136-L140 WeakPolarHBondContact O-CG 3.31Å; T136-L140 PolarHBondContact O-N 2.84Å |
| 137 | S | 80.2 | Confident | 77.4 | Confident | 18 Ų | 18 | 72 Ų | 72 | 13% | 0.126 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -56.1 | -50.2 | 175.3 | 175.4 | 0 | 0 | 0 | 0 | 112.3 | E133 H134 K135 Q139 L140 H141 Y209 | E133-S137 WeakPolarHBondContact O-CB 3.31Å; E133-S137 PolarHBondContact O-N 2.81Å; H134-S137 WeakPolarHBondContact O-CB 3.4Å; H134-S137 PolarHBondContact O-N 3.03Å; K135-S137 VanDerWaalsContact C-N 3.32Å; K135-S137 PolarHBondContact O-N 2.84Å; S137-Q139 VanDerWaalsContact C-N 3.32Å; S137-Q139 PolarHBondContact O-N 3.45Å; S137-L140 PolarHBondContact O-N 2.84Å; S137-H141 WeakPolarHBondContact O-CB 3.36Å; S137-H141 PolarHBondContact O-CD2 3.06Å; S137-H141 PolarHBondContact O-N 3.32Å; S137-Y209 VanDerWaalsContact CB-CE1 3.5Å; S137-Y209 VanDerWaalsContact CB-CZ 3.41Å; S137-Y209 VanDerWaalsContact CB-OH 3.31Å; S137-Y209 WeakPolarHBondContact CB-OH 3.29Å; S137-Y209 WeakPolarHBondContact OG-CE1 3.47Å |
| 138 | K | 82.7 | Confident | 78.8 | Confident | 141 Ų | 141 | 73.4 Ų | 73.4 | 61% | 0.613 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.2 | -42.2 | -179.1 | -173.2 | 177.7 | -178.4 | 178.1 | 0 | 111.5 | H134 K135 T136 S142 | H134-K138 PolarHBondContact O-N 2.95Å; K135-K138 PolarHBondContact O-N 3.44Å; T136-K138 PolarHBondContact O-N 2.95Å; K138-S142 PolarHBondContact O-N 3.22Å; K138-S142 PolarHBondContact O-OG 3.09Å |
| 139 | Q | 85.9 | Confident | 80 | Confident | 109 Ų | 109 | 65.8 Ų | 65.8 | 51% | 0.509 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.9 | -49 | 176 | -71.8 | 179.9 | -35 | 0 | 0 | 111.4 | K135 T136 S137 H141 S142 L143 F171 | K135-Q139 WeakPolarHBondContact O-CG 3.14Å; K135-Q139 PolarHBondContact O-N 3.08Å; K135-Q139 VanDerWaalsContact O-N 3.08Å; T136-Q139 PolarHBondContact O-N 3.43Å; S137-Q139 VanDerWaalsContact C-N 3.32Å; S137-Q139 PolarHBondContact O-N 3.45Å; Q139-H141 PolarHBondContact O-N 2.88Å; Q139-S142 PolarHBondContact O-N 3.47Å; Q139-S142 PolarHBondContact O-OG 3.31Å; Q139-L143 PolarHBondContact O-N 3.41Å; Q139-F171 HydrophobicContact CB-CE1 4.47Å; Q139-F171 HydrophobicContact CB-CZ 4.09Å |
| 140 | L | 85.9 | Confident | 81.3 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.2 | -47.5 | 177.3 | -72.4 | 176.3 | 0 | 0 | 0 | 110.9 | T136 S137 S142 L143 F171 V203 Y209 L211 | T136-L140 HydrophobicContact CG2-CD1 3.93Å; T136-L140 HydrophobicContact CG2-CG 4.27Å; T136-L140 WeakPolarHBondContact O-CB 3.33Å; T136-L140 VanDerWaalsContact O-CG 3.3Å; T136-L140 WeakPolarHBondContact O-CG 3.31Å; T136-L140 PolarHBondContact O-N 2.84Å; S137-L140 PolarHBondContact O-N 2.84Å; L140-S142 PolarHBondContact O-N 2.94Å; L140-S142 VanDerWaalsContact O-N 3.15Å; L140-L143 HydrophobicContact CD2-CD2 4.35Å; L140-L143 VanDerWaalsContact O-CB 3.24Å; L140-L143 WeakPolarHBondContact O-CB 2.9Å; L140-L143 PolarHBondContact O-N 3.05Å; L140-F171 HydrophobicContact CD2-CD1 3.79Å; L140-F171 HydrophobicContact CD2-CE1 3.75Å; L140-F171 HydrophobicContact CD2-CG 4.25Å; L140-F171 HydrophobicContact CD2-CZ 4.2Å; L140-F171 HydrophobicContact CG-CE1 4.21Å; L140-V203 HydrophobicContact CD1-CG2 3.93Å; L140-Y209 HydrophobicContact CD1-CD2 3.75Å; L140-Y209 HydrophobicContact CD1-CE2 4.25Å; L140-L211 HydrophobicContact CB-CD2 4.13Å; L140-L211 HydrophobicContact CD2-CD1 4.36Å; L140-L211 WeakPolarHBondContact O-CD2 3.25Å |
| 141 | H | 82.2 | Confident | 82.5 | Confident | 112 Ų | 112 | 63 Ų | 63 | 52% | 0.519 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58 | -32.2 | 179 | -92.6 | -63.2 | 0 | 0 | 0 | 114.6 | S137 Q139 L143 Y209 | S137-H141 WeakPolarHBondContact O-CB 3.36Å; S137-H141 PolarHBondContact O-CD2 3.06Å; S137-H141 PolarHBondContact O-N 3.32Å; Q139-H141 PolarHBondContact O-N 2.88Å; H141-L143 VanDerWaalsContact C-N 3.34Å; H141-Y209 AromaticContact CD2-CD1 3.82Å; H141-Y209 AromaticContact NE2-CD1 3.45Å; H141-Y209 WeakPolarHBondContact NE2-CD1 3.36Å |
| 142 | S | 84.3 | Confident | 83.5 | Confident | 96 Ų | 96 | 67.7 Ų | 67.7 | 67% | 0.671 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -84.3 | -8.6 | 176.5 | 64.4 | 0 | 0 | 0 | 0 | 114 | K138 Q139 L140 | K138-S142 PolarHBondContact O-N 3.22Å; K138-S142 PolarHBondContact O-OG 3.09Å; Q139-S142 PolarHBondContact O-N 3.47Å; Q139-S142 PolarHBondContact O-OG 3.31Å; L140-S142 PolarHBondContact O-N 2.94Å; L140-S142 VanDerWaalsContact O-N 3.15Å |
| 143 | L | 86.7 | Confident | 84.2 | Confident | 35 Ų | 35 | 65.4 Ų | 65.4 | 18% | 0.183 | 34% | 0.336 | C | S | . | . | trans | -83.8 | 131.2 | -170.9 | -167.2 | 71.1 | 0 | 0 | 0 | 111.6 | Q139 L140 H141 V145 L166 Q169 F171 L211 | Q139-L143 PolarHBondContact O-N 3.41Å; L140-L143 HydrophobicContact CD2-CD2 4.35Å; L140-L143 VanDerWaalsContact O-CB 3.24Å; L140-L143 WeakPolarHBondContact O-CB 2.9Å; L140-L143 PolarHBondContact O-N 3.05Å; H141-L143 VanDerWaalsContact C-N 3.34Å; L143-V145 HydrophobicContact CD2-CG2 3.74Å; L143-V145 HydrophobicContact CG-CG2 4.04Å; L143-L166 HydrophobicContact CD2-CD2 3.92Å; L143-Q169 VanDerWaalsContact CD1-OE1 3.29Å; L143-F171 HydrophobicContact CD1-CE2 3.97Å; L143-F171 HydrophobicContact CD2-CD2 3.63Å; L143-F171 HydrophobicContact CD2-CE2 3.48Å; L143-F171 VanDerWaalsContact CD2-CE2 3.48Å; L143-F171 HydrophobicContact CD2-CZ 4.28Å; L143-F171 HydrophobicContact CG-CE2 4.32Å; L143-L211 HydrophobicContact CB-CD2 4.33Å | ||
| 144 | I | 87.1 | Confident | 85 | Confident | 102 Ų | 102 | 68.9 Ų | 68.9 | 52% | 0.523 | 36% | 0.362 | S | S | . | . | B | Isolated β-bridge | trans | -108.2 | 116.9 | 168.4 | -61 | 177.7 | 0 | 0 | 0 | 107.3 | Q169 P214 | I144-Q169 PolarHBondContact O-NE2 3.45Å; I144-Q169 PolarHBondContact O-OE1 3.34Å; I144-P214 HydrophobicContact CG2-CG 3.6Å |
| 145 | V | 87.1 | Confident | 85.8 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 34% | 0.34 | C | S | . | . | trans | -93.8 | 111.3 | -173.1 | 178.8 | 0 | 0 | 0 | 0 | 109.3 | L143 V147 L166 F199 L211 V212 L213 P214 | L143-V145 HydrophobicContact CD2-CG2 3.74Å; L143-V145 HydrophobicContact CG-CG2 4.04Å; V145-V147 HydrophobicContact CG1-CG2 4.38Å; V145-V147 PolarHBondContact O-N 3.08Å; V145-L166 HydrophobicContact CG1-CD2 4.36Å; V145-L166 HydrophobicContact CG1-CG 4.3Å; V145-L166 HydrophobicContact CG2-CD2 3.54Å; V145-L166 HydrophobicContact CG2-CG 4.32Å; V145-F199 HydrophobicContact CB-CE1 4.39Å; V145-F199 HydrophobicContact CB-CZ 4.33Å; V145-F199 HydrophobicContact CG2-CE1 4.44Å; V145-F199 HydrophobicContact CG2-CZ 4.1Å; V145-L211 HydrophobicContact CG2-CD1 4.29Å; V145-V212 PolarHBondContact N-O 3.21Å; V145-L213 HydrophobicContact CB-CD2 3.58Å; V145-L213 HydrophobicContact CG1-CD2 3.63Å; V145-L213 WeakPolarHBondContact O-CA 3.45Å; V145-L213 WeakPolarHBondContact O-CD2 3.19Å; V145-P214 VanDerWaalsContact O-CD 3.29Å; V145-P214 WeakPolarHBondContact O-CD 3.3Å | ||
| 146 | I | 88 | Confident | 86.5 | Confident | 78 Ų | 78 | 63.5 Ų | 63.5 | 40% | 0.4 | 34% | 0.343 | S | S | . | . | trans | -84.4 | 121.2 | 179.3 | -53 | 173.3 | 0 | 0 | 0 | 108.1 | N148 S165 P214 M216 | I146-N148 WeakPolarHBondContact CG2-OD1 3.41Å; I146-S165 WeakPolarHBondContact O-CB 3.42Å; I146-S165 PolarHBondContact O-OG 3.02Å; I146-P214 HydrophobicContact CG1-CG 3.99Å; I146-M216 HydrophobicContact CG2-CB 4.1Å | ||
| 147 | V | 88.7 | Confident | 86.9 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 114.3 | 174.1 | -176.5 | 0 | 0 | 0 | 0 | 108.6 | V145 M149 L157 H161 V162 S165 L213 P214 L215 M216 | V145-V147 HydrophobicContact CG1-CG2 4.38Å; V145-V147 PolarHBondContact O-N 3.08Å; V147-M149 HydrophobicContact CG1-CG 3.94Å; V147-M149 HydrophobicContact CG1-SD 3.64Å; V147-L157 HydrophobicContact CG1-CD1 3.92Å; V147-H161 HydrophobicContact CG1-CB 4.34Å; V147-V162 HydrophobicContact CG2-CG2 4.44Å; V147-S165 WeakPolarHBondContact CA-OG 3.24Å; V147-L213 HydrophobicContact CG2-CD2 3.5Å; V147-P214 PolarHBondContact N-O 2.81Å; V147-L215 HydrophobicContact CB-CD2 4.1Å; V147-L215 HydrophobicContact CG1-CD2 4.35Å; V147-M216 PolarHBondContact O-N 3.16Å; V147-M216 VanDerWaalsContact O-N 3.1Å |
| 148 | N | 86.6 | Confident | 87.5 | Confident | 78 Ų | 78 | 66 Ų | 66 | 42% | 0.417 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 118.1 | 177.8 | -65.7 | 6.8 | 0 | 0 | 0 | 108.1 | I146 M216 | I146-N148 WeakPolarHBondContact CG2-OD1 3.41Å; N148-M216 WeakPolarHBondContact CA-O 3.41Å |
| 149 | M | 87.3 | Confident | 88 | Confident | 16 Ų | 16 | 62.8 Ų | 62.8 | 8% | 0.079 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 152.8 | 175.5 | -57.1 | -58.6 | -69 | 0 | 0 | 109.7 | V147 W155 H161 L215 M216 T217 Y218 | V147-M149 HydrophobicContact CG1-CG 3.94Å; V147-M149 HydrophobicContact CG1-SD 3.64Å; M149-W155 HydrophobicContact CB-CD2 3.83Å; M149-W155 HydrophobicContact CB-CG 4.11Å; M149-W155 HydrophobicContact CB-CZ2 3.81Å; M149-W155 HydrophobicContact CE-CB 3.43Å; M149-W155 VanDerWaalsContact CE-CB 3.43Å; M149-W155 HydrophobicContact CE-CD2 3.43Å; M149-W155 VanDerWaalsContact CE-CD2 3.43Å; M149-W155 HydrophobicContact CE-CE3 3.6Å; M149-W155 HydrophobicContact CE-CG 3.35Å; M149-W155 HydrophobicContact CG-CD2 3.94Å; M149-W155 HydrophobicContact CG-CE3 4.15Å; M149-W155 HydrophobicContact CG-CG 4.49Å; M149-W155 HydrophobicContact CG-CH2 4.31Å; M149-W155 HydrophobicContact CG-CZ2 4.04Å; M149-W155 HydrophobicContact CG-CZ3 4.34Å; M149-H161 HydrophobicContact SD-CB 4.4Å; M149-L215 HydrophobicContact CG-CD2 4.36Å; M149-M216 PolarHBondContact N-O 2.96Å; M149-M216 VanDerWaalsContact N-O 3.14Å; M149-T217 WeakPolarHBondContact O-CA 3.45Å; M149-Y218 PolarHBondContact O-N 2.89Å; M149-Y218 VanDerWaalsContact O-N 3.08Å |
| 150 | S | 86.7 | Confident | 88.3 | Confident | 27 Ų | 27 | 62.5 Ų | 62.5 | 19% | 0.189 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 145.8 | 175.8 | 46.8 | 0 | 0 | 0 | 0 | 111.2 | T153 W155 | S150-T153 VanDerWaalsContact CB-OG1 3.25Å; S150-T153 WeakPolarHBondContact CB-OG1 3.38Å; S150-T153 PolarHBondContact OG-O 3.3Å; S150-T153 PolarHBondContact OG-OG1 2.84Å; S150-W155 PolarHBondContact O-NE1 2.91Å |
| 151 | F | 85.1 | Confident | 88.5 | Confident | 74 Ų | 74 | 63.7 Ų | 63.7 | 33% | 0.325 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -84 | -32.7 | 169.9 | -171.3 | -97.9 | 0 | 0 | 0 | 112.2 | P188 I190 T217 Y218 V219 | F151-P188 WeakPolarHBondContact O-CB 3.48Å; F151-P188 WeakPolarHBondContact O-CG 3.45Å; F151-I190 HydrophobicContact CE2-CG1 4.06Å; F151-I190 HydrophobicContact CZ-CG1 4.4Å; F151-T217 HydrophobicContact CD2-CG2 4.36Å; F151-Y218 PolarHBondContact N-O 2.89Å; F151-Y218 VanDerWaalsContact N-O 3.16Å; F151-V219 HydrophobicContact CB-CG2 4.14Å; F151-V219 HydrophobicContact CG-CG2 4.48Å |
| 152 | D | 87 | Confident | 88.9 | Confident | 107 Ų | 107 | 58.3 Ų | 58.3 | 57% | 0.572 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -86.1 | -31.2 | -171 | -55.9 | -57.1 | 0 | 0 | 0 | 113.7 | ||
| 153 | T | 88.7 | Confident | 89.3 | Confident | 81 Ų | 81 | 56.2 Ų | 56.2 | 50% | 0.497 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -102.3 | 132.8 | -177 | 57 | 0 | 0 | 0 | 0 | 110.8 | S150 W155 | S150-T153 VanDerWaalsContact CB-OG1 3.25Å; S150-T153 WeakPolarHBondContact CB-OG1 3.38Å; S150-T153 PolarHBondContact OG-O 3.3Å; S150-T153 PolarHBondContact OG-OG1 2.84Å; T153-W155 VanDerWaalsContact O-CD1 3.25Å; T153-W155 PolarHBondContact O-N 3.24Å |
| 154 | P | 91.1 | Very high | 89.6 | Confident | 114 Ų | 114 | 58.5 Ų | 58.5 | 74% | 0.74 | 30% | 0.302 | S | S | * | . | trans | -64.8 | 135.4 | 176.2 | 27.8 | -33.9 | 0 | 0 | 0 | 110.4 | G187 | P154-G187 WeakPolarHBondContact CA-O 3.36Š| ||
| 155 | W | 91.3 | Very high | 89.7 | Confident | 20 Ų | 20 | 54.1 Ų | 54.1 | 8% | 0.076 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 152.6 | -177.2 | 54 | -101.7 | 0 | 0 | 0 | 111.4 | M149 S150 T153 L157 I185 S186 G187 L215 | M149-W155 HydrophobicContact CB-CD2 3.83Å; M149-W155 HydrophobicContact CB-CG 4.11Å; M149-W155 HydrophobicContact CB-CZ2 3.81Å; M149-W155 HydrophobicContact CE-CB 3.43Å; M149-W155 VanDerWaalsContact CE-CB 3.43Å; M149-W155 HydrophobicContact CE-CD2 3.43Å; M149-W155 VanDerWaalsContact CE-CD2 3.43Å; M149-W155 HydrophobicContact CE-CE3 3.6Å; M149-W155 HydrophobicContact CE-CG 3.35Å; M149-W155 HydrophobicContact CG-CD2 3.94Å; M149-W155 HydrophobicContact CG-CE3 4.15Å; M149-W155 HydrophobicContact CG-CG 4.49Å; M149-W155 HydrophobicContact CG-CH2 4.31Å; M149-W155 HydrophobicContact CG-CZ2 4.04Å; M149-W155 HydrophobicContact CG-CZ3 4.34Å; S150-W155 PolarHBondContact O-NE1 2.91Å; T153-W155 VanDerWaalsContact O-CD1 3.25Å; T153-W155 PolarHBondContact O-N 3.24Å; W155-L157 HydrophobicContact CZ3-CB 4.28Å; W155-I185 HydrophobicContact CH2-CG2 4.4Å; W155-I185 HydrophobicContact CZ3-CG2 4.22Å; W155-S186 WeakPolarHBondContact O-CA 3.42Å; W155-G187 PolarHBondContact N-O 3.22Å; W155-G187 VanDerWaalsContact N-O 3.1Å; W155-G187 PolarHBondContact O-N 3.48Å; W155-L215 HydrophobicContact CH2-CD1 3.84Å; W155-L215 HydrophobicContact CH2-CD2 4.33Å |
| 156 | V | 92.1 | Very high | 89.9 | Confident | 77 Ų | 77 | 54.2 Ų | 54.2 | 47% | 0.467 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 128.8 | 172.1 | 179.9 | 0 | 0 | 0 | 0 | 107.3 | E158 H161 | V156-E158 PolarHBondContact O-N 3.33Å; V156-H161 PolarHBondContact O-CE1 3.4Å |
| 157 | L | 90.4 | Very high | 90.1 | Very high | 13 Ų | 13 | 59.4 Ų | 59.4 | 7% | 0.068 | 30% | 0.295 | C | S | . | . | trans | -70.1 | 97.1 | -178.4 | -171.6 | 74.4 | 0 | 0 | 0 | 110.4 | V147 W155 H161 V162 L180 I185 L213 L215 | V147-L157 HydrophobicContact CG1-CD1 3.92Å; W155-L157 HydrophobicContact CZ3-CB 4.28Å; L157-H161 HydrophobicContact CD1-CB 4.07Å; L157-V162 HydrophobicContact CD1-CG2 4.43Å; L157-L180 HydrophobicContact CD2-CD2 4.35Å; L157-L180 WeakPolarHBondContact O-CD1 3.38Å; L157-I185 HydrophobicContact CB-CB 4.12Å; L157-I185 HydrophobicContact CD2-CB 4.49Å; L157-I185 HydrophobicContact CD2-CD1 3.84Å; L157-I185 PolarHBondContact N-O 3.15Å; L157-L213 HydrophobicContact CD2-CD1 4.45Å; L157-L215 HydrophobicContact CD1-CD2 4.42Å | ||
| 158 | E | 92.2 | Very high | 90.2 | Very high | 104 Ų | 104 | 68.1 Ų | 68.1 | 49% | 0.486 | 33% | 0.328 | S | S | . | . | trans | -93.9 | 166 | 171.6 | -64.2 | -176.9 | 160.1 | 0 | 0 | 112.7 | V156 W160 H161 | V156-E158 PolarHBondContact O-N 3.33Å; E158-W160 VanDerWaalsContact C-N 3.29Å; E158-W160 PolarHBondContact O-N 3.24Å; E158-W160 PolarHBondContact OE2-NE1 3.01Å; E158-H161 PolarHBondContact N-ND1 3.25Å; E158-H161 WeakPolarHBondContact O-CB 3.36Å; E158-H161 PolarHBondContact O-N 2.92Å; E158-H161 PolarHBondContact O-ND1 3.45Å | ||
| 159 | K | 92.7 | Very high | 90.4 | Very high | 75 Ų | 75 | 67.4 Ų | 67.4 | 33% | 0.326 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.2 | -36.4 | -175.8 | -63.2 | -174.7 | 179 | -163.5 | 0 | 113.1 | H161 V162 Q163 E175 I178 L180 | K159-H161 VanDerWaalsContact C-N 3.3Å; K159-H161 PolarHBondContact O-N 3.09Å; K159-V162 PolarHBondContact O-N 3.46Å; K159-Q163 PolarHBondContact O-N 2.81Å; K159-E175 HydrophobicContact CB-CB 4.46Å; K159-I178 WeakPolarHBondContact CD-O 3.2Å; K159-I178 WeakPolarHBondContact CE-O 3.38Å; K159-I178 PolarHBondContact NZ-O 3.39Å; K159-L180 HydrophobicContact CG-CD1 3.84Å; K159-L180 HydrophobicContact CG-CG 4.18Å |
| 160 | W | 92.5 | Very high | 90.5 | Very high | 102 Ų | 102 | 69.7 Ų | 69.7 | 39% | 0.386 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.4 | -31.1 | -179.2 | 70.1 | -97.7 | 0 | 0 | 0 | 112.6 | E158 V162 Q163 I164 | E158-W160 VanDerWaalsContact C-N 3.29Å; E158-W160 PolarHBondContact O-N 3.24Å; E158-W160 PolarHBondContact OE2-NE1 3.01Å; W160-V162 VanDerWaalsContact C-N 3.34Å; W160-V162 PolarHBondContact O-N 2.98Å; W160-Q163 WeakPolarHBondContact O-CB 3.28Å; W160-Q163 PolarHBondContact O-N 3.2Å; W160-I164 HydrophobicContact CE3-CD1 3.47Å; W160-I164 VanDerWaalsContact CE3-CD1 3.47Å; W160-I164 HydrophobicContact CE3-CG1 4.31Å; W160-I164 HydrophobicContact CZ3-CD1 3.62Å; W160-I164 WeakPolarHBondContact O-CG1 3.46Å; W160-I164 PolarHBondContact O-N 3.11Å |
| 161 | H | 90.8 | Very high | 90.6 | Very high | 25 Ų | 25 | 70.1 Ų | 70.1 | 12% | 0.116 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.1 | -46.3 | 174.7 | -61.3 | 104.7 | 0 | 0 | 0 | 110.9 | V147 M149 V156 L157 E158 K159 Q163 I164 S165 | V147-H161 HydrophobicContact CG1-CB 4.34Å; M149-H161 HydrophobicContact SD-CB 4.4Å; V156-H161 PolarHBondContact O-CE1 3.4Å; L157-H161 HydrophobicContact CD1-CB 4.07Å; E158-H161 PolarHBondContact N-ND1 3.25Å; E158-H161 WeakPolarHBondContact O-CB 3.36Å; E158-H161 PolarHBondContact O-N 2.92Å; E158-H161 PolarHBondContact O-ND1 3.45Å; K159-H161 VanDerWaalsContact C-N 3.3Å; K159-H161 PolarHBondContact O-N 3.09Å; H161-Q163 VanDerWaalsContact C-N 3.34Å; H161-I164 PolarHBondContact O-N 3.36Å; H161-S165 PolarHBondContact O-N 3.2Å |
| 162 | V | 90.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.5 | -39.7 | 176.6 | -180 | 0 | 0 | 0 | 0 | 110.7 | V147 L157 K159 W160 S165 L166 I178 L180 F199 L213 | V147-V162 HydrophobicContact CG2-CG2 4.44Å; L157-V162 HydrophobicContact CD1-CG2 4.43Å; K159-V162 PolarHBondContact O-N 3.46Å; W160-V162 VanDerWaalsContact C-N 3.34Å; W160-V162 PolarHBondContact O-N 2.98Å; V162-S165 PolarHBondContact O-N 2.84Å; V162-L166 HydrophobicContact CG1-CD1 4.02Å; V162-L166 HydrophobicContact CG1-CG 4.36Å; V162-L166 WeakPolarHBondContact O-CB 3.25Å; V162-L166 WeakPolarHBondContact O-CG 2.82Å; V162-L166 PolarHBondContact O-N 3.31Å; V162-I178 HydrophobicContact CB-CD1 4.4Å; V162-I178 HydrophobicContact CB-CG2 4.36Å; V162-I178 HydrophobicContact CG1-CD1 4.28Å; V162-I178 HydrophobicContact CG1-CG2 4.15Å; V162-L180 HydrophobicContact CG2-CD2 3.94Å; V162-F199 HydrophobicContact CG1-CD2 4.16Å; V162-F199 HydrophobicContact CG1-CE1 4.48Å; V162-F199 HydrophobicContact CG1-CE2 3.48Å; V162-F199 VanDerWaalsContact CG1-CE2 3.48Å; V162-F199 HydrophobicContact CG1-CZ 3.64Å; V162-L213 HydrophobicContact CG1-CD2 4.26Å; V162-L213 HydrophobicContact CG2-CD1 4.2Å; V162-L213 HydrophobicContact CG2-CD2 4.32Å |
| 163 | Q | 92.5 | Very high | 90.8 | Very high | 51 Ų | 51 | 70.2 Ų | 70.2 | 24% | 0.238 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 176.3 | -168 | -167.4 | 24.4 | 0 | 0 | 112.1 | K159 W160 H161 L166 R167 M173 E175 I178 | K159-Q163 PolarHBondContact O-N 2.81Å; W160-Q163 WeakPolarHBondContact O-CB 3.28Å; W160-Q163 PolarHBondContact O-N 3.2Å; H161-Q163 VanDerWaalsContact C-N 3.34Å; Q163-L166 PolarHBondContact O-N 3.05Å; Q163-R167 WeakPolarHBondContact O-CB 3.45Å; Q163-R167 PolarHBondContact O-N 3.21Å; Q163-M173 WeakPolarHBondContact CG-O 3.45Å; Q163-M173 PolarHBondContact NE2-O 2.92Å; Q163-E175 PolarHBondContact OE1-OE1 3.06Å; Q163-I178 HydrophobicContact CB-CD1 3.91Å; Q163-I178 HydrophobicContact CG-CD1 4.48Å |
| 164 | I | 92.3 | Very high | 90.9 | Very high | 84 Ų | 84 | 71.7 Ų | 71.7 | 43% | 0.431 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.7 | -43.2 | 177 | -68.4 | 179 | 0 | 0 | 0 | 110.5 | W160 H161 R167 R168 | W160-I164 HydrophobicContact CE3-CD1 3.47Å; W160-I164 VanDerWaalsContact CE3-CD1 3.47Å; W160-I164 HydrophobicContact CE3-CG1 4.31Å; W160-I164 HydrophobicContact CZ3-CD1 3.62Å; W160-I164 WeakPolarHBondContact O-CG1 3.46Å; W160-I164 PolarHBondContact O-N 3.11Å; H161-I164 PolarHBondContact O-N 3.36Å; I164-R167 WeakPolarHBondContact O-CB 3.38Å; I164-R167 PolarHBondContact O-N 3.29Å; I164-R168 WeakPolarHBondContact O-CG 3.35Å; I164-R168 PolarHBondContact O-N 3.24Å |
| 165 | S | 90.8 | Very high | 90.8 | Very high | 10 Ų | 10 | 70.6 Ų | 70.6 | 7% | 0.07 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 175.6 | -81.8 | 0 | 0 | 0 | 0 | 112.9 | I146 V147 H161 V162 R167 R168 Q169 | I146-S165 WeakPolarHBondContact O-CB 3.42Å; I146-S165 PolarHBondContact O-OG 3.02Å; V147-S165 WeakPolarHBondContact CA-OG 3.24Å; H161-S165 PolarHBondContact O-N 3.2Å; V162-S165 PolarHBondContact O-N 2.84Å; S165-R167 VanDerWaalsContact C-N 3.31Å; S165-R167 PolarHBondContact O-N 2.88Å; S165-R168 PolarHBondContact O-N 2.91Å; S165-Q169 PolarHBondContact O-N 3.47Å; S165-Q169 VanDerWaalsContact O-N 3.16Å |
| 166 | L | 90.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 76.5 Ų | 76.5 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60 | -42.5 | 173.5 | -78.9 | 169.8 | 0 | 0 | 0 | 111.3 | L143 V145 V162 Q163 R168 Q169 G170 F171 M173 I178 L211 | L143-L166 HydrophobicContact CD2-CD2 3.92Å; V145-L166 HydrophobicContact CG1-CD2 4.36Å; V145-L166 HydrophobicContact CG1-CG 4.3Å; V145-L166 HydrophobicContact CG2-CD2 3.54Å; V145-L166 HydrophobicContact CG2-CG 4.32Å; V162-L166 HydrophobicContact CG1-CD1 4.02Å; V162-L166 HydrophobicContact CG1-CG 4.36Å; V162-L166 WeakPolarHBondContact O-CB 3.25Å; V162-L166 WeakPolarHBondContact O-CG 2.82Å; V162-L166 PolarHBondContact O-N 3.31Å; Q163-L166 PolarHBondContact O-N 3.05Å; L166-R168 VanDerWaalsContact C-N 3.35Å; L166-R168 PolarHBondContact O-N 3.25Å; L166-Q169 CarbonylContact O-C 3.56Å; L166-Q169 WeakPolarHBondContact O-CA 3.41Å; L166-Q169 PolarHBondContact O-N 2.81Å; L166-G170 PolarHBondContact O-N 3.18Å; L166-G170 VanDerWaalsContact O-N 3.11Å; L166-F171 CarbonylContact C-O 3.5Å; L166-F171 VanDerWaalsContact C-O 3.24Å; L166-F171 HydrophobicContact CB-CB 4.25Å; L166-F171 HydrophobicContact CD2-CB 4.32Å; L166-F171 PolarHBondContact O-N 2.73Å; L166-M173 HydrophobicContact CD1-SD 4.49Å; L166-I178 HydrophobicContact CD1-CD1 4.14Å; L166-L211 HydrophobicContact CD2-CD1 4.23Å |
| 167 | R | 92.7 | Very high | 90.5 | Very high | 187 Ų | 187 | 74.5 Ų | 74.5 | 71% | 0.706 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63.1 | -39.5 | 176.8 | -174.5 | 176.9 | 178.2 | 174.9 | 0 | 112.3 | Q163 I164 S165 Q169 G170 F171 | Q163-R167 WeakPolarHBondContact O-CB 3.45Å; Q163-R167 PolarHBondContact O-N 3.21Å; I164-R167 WeakPolarHBondContact O-CB 3.38Å; I164-R167 PolarHBondContact O-N 3.29Å; S165-R167 VanDerWaalsContact C-N 3.31Å; S165-R167 PolarHBondContact O-N 2.88Å; R167-Q169 PolarHBondContact O-N 3.39Å; R167-G170 PolarHBondContact O-N 3.47Å; R167-F171 VanDerWaalsContact CA-O 3.24Å; R167-F171 WeakPolarHBondContact CA-O 3.4Å; R167-F171 PolarHBondContact N-O 3.02Å |
| 168 | R | 91 | Very high | 90.5 | Very high | 185 Ų | 185 | 73.9 Ų | 73.9 | 70% | 0.698 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -62.3 | -29.8 | 173.7 | -70.5 | -179.6 | 76.9 | 167 | 5.4 | 112.2 | I164 S165 L166 G170 | I164-R168 WeakPolarHBondContact O-CG 3.35Å; I164-R168 PolarHBondContact O-N 3.24Å; S165-R168 PolarHBondContact O-N 2.91Å; L166-R168 VanDerWaalsContact C-N 3.35Å; L166-R168 PolarHBondContact O-N 3.25Å; R168-G170 VanDerWaalsContact C-N 3.34Å |
| 169 | Q | 89.2 | Confident | 90.4 | Very high | 62 Ų | 62 | 72.4 Ų | 72.4 | 29% | 0.29 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 2.1 | 174.7 | -63.6 | -174.1 | -7.4 | 0 | 0 | 113.7 | L143 I144 S165 L166 R167 | L143-Q169 VanDerWaalsContact CD1-OE1 3.29Å; I144-Q169 PolarHBondContact O-NE2 3.45Å; I144-Q169 PolarHBondContact O-OE1 3.34Å; S165-Q169 PolarHBondContact O-N 3.47Å; S165-Q169 VanDerWaalsContact O-N 3.16Å; L166-Q169 CarbonylContact O-C 3.56Å; L166-Q169 WeakPolarHBondContact O-CA 3.41Å; L166-Q169 PolarHBondContact O-N 2.81Å; R167-Q169 PolarHBondContact O-N 3.39Å |
| 170 | G | 90.3 | Very high | 90.2 | Very high | 64 Ų | 64 | 71 Ų | 71 | 66% | 0.66 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.4 | 3.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | L166 R167 R168 | L166-G170 PolarHBondContact O-N 3.18Å; L166-G170 VanDerWaalsContact O-N 3.11Å; R167-G170 PolarHBondContact O-N 3.47Å; R168-G170 VanDerWaalsContact C-N 3.34Å |
| 171 | F | 88.8 | Confident | 89.9 | Confident | 37 Ų | 37 | 68.5 Ų | 68.5 | 16% | 0.162 | 35% | 0.346 | C | S | . | . | trans | -96.7 | 122.1 | 176.6 | -68.1 | -86.4 | 0 | 0 | 0 | 111 | Q139 L140 L143 L166 R167 | Q139-F171 HydrophobicContact CB-CE1 4.47Å; Q139-F171 HydrophobicContact CB-CZ 4.09Å; L140-F171 HydrophobicContact CD2-CD1 3.79Å; L140-F171 HydrophobicContact CD2-CE1 3.75Å; L140-F171 HydrophobicContact CD2-CG 4.25Å; L140-F171 HydrophobicContact CD2-CZ 4.2Å; L140-F171 HydrophobicContact CG-CE1 4.21Å; L143-F171 HydrophobicContact CD1-CE2 3.97Å; L143-F171 HydrophobicContact CD2-CD2 3.63Å; L143-F171 HydrophobicContact CD2-CE2 3.48Å; L143-F171 VanDerWaalsContact CD2-CE2 3.48Å; L143-F171 HydrophobicContact CD2-CZ 4.28Å; L143-F171 HydrophobicContact CG-CE2 4.32Å; L166-F171 CarbonylContact C-O 3.5Å; L166-F171 VanDerWaalsContact C-O 3.24Å; L166-F171 HydrophobicContact CB-CB 4.25Å; L166-F171 HydrophobicContact CD2-CB 4.32Å; L166-F171 PolarHBondContact O-N 2.73Å; R167-F171 VanDerWaalsContact CA-O 3.24Å; R167-F171 WeakPolarHBondContact CA-O 3.4Å; R167-F171 PolarHBondContact N-O 3.02Å | ||
| 172 | I | 89.9 | Confident | 89.6 | Confident | 153 Ų | 153 | 79.6 Ų | 79.6 | 79% | 0.785 | 39% | 0.387 | S | S | * | . | trans | -103.7 | 118.2 | 176.8 | -57.2 | 173.5 | 0 | 0 | 0 | 107.8 | ||||
| 173 | M | 86.7 | Confident | 89.4 | Confident | 30 Ų | 30 | 87.4 Ų | 87.4 | 15% | 0.148 | 42% | 0.424 | C | S | . | . | trans | -145.9 | 154.7 | -177.1 | -54.8 | -166.6 | 70.8 | 0 | 0 | 110.8 | Q163 L166 C177 V201 V203 | Q163-M173 WeakPolarHBondContact CG-O 3.45Å; Q163-M173 PolarHBondContact NE2-O 2.92Å; L166-M173 HydrophobicContact CD1-SD 4.49Å; M173-C177 HydrophobicContact CE-CB 4.03Å; M173-V201 HydrophobicContact CE-CG1 3.23Å; M173-V201 HydrophobicContact SD-CG1 3.64Å; M173-V203 HydrophobicContact CE-CG2 3.99Å | ||
| 174 | D | 90.7 | Very high | 89.2 | Confident | 112 Ų | 112 | 90.7 Ų | 90.7 | 60% | 0.599 | 45% | 0.448 | S | S | * | . | trans | -81.2 | 152.1 | 173.3 | -68.3 | -22.7 | 0 | 0 | 0 | 111.5 | N176 C177 | D174-N176 PolarHBondContact O-N 3.37Å; D174-C177 WeakPolarHBondContact O-CB 3.38Å; D174-C177 PolarHBondContact O-N 2.83Å; D174-C177 VanDerWaalsContact O-N 3.09Å | ||
| 175 | E | 89.3 | Confident | 88.9 | Confident | 90 Ų | 90 | 87.4 Ų | 87.4 | 42% | 0.421 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -61 | -29.2 | 178.8 | -63.5 | -177.9 | -170.4 | 0 | 0 | 112.9 | K159 Q163 C177 I178 | K159-E175 HydrophobicContact CB-CB 4.46Å; Q163-E175 PolarHBondContact OE1-OE1 3.06Å; E175-C177 PolarHBondContact O-N 3.02Å; E175-I178 PolarHBondContact O-N 2.91Å; E175-I178 VanDerWaalsContact O-N 3.08Å |
| 176 | N | 89.3 | Confident | 88.8 | Confident | 144 Ų | 144 | 90.3 Ų | 90.3 | 77% | 0.77 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -63.2 | -23.9 | 178.3 | -66.6 | -29.1 | 0 | 0 | 0 | 112.7 | D174 I178 | D174-N176 PolarHBondContact O-N 3.37Å; N176-I178 VanDerWaalsContact C-N 3.32Å |
| 177 | C | 87.8 | Confident | 88.5 | Confident | 35 Ų | 35 | 90.8 Ų | 90.8 | 24% | 0.236 | 46% | 0.456 | C | S | . | . | G | 310 helix | trans | -78.7 | -15.5 | 177.7 | -65.2 | 0 | 0 | 0 | 0 | 113 | M173 D174 E175 V201 V202 | M173-C177 HydrophobicContact CE-CB 4.03Å; D174-C177 WeakPolarHBondContact O-CB 3.38Å; D174-C177 PolarHBondContact O-N 2.83Å; D174-C177 VanDerWaalsContact O-N 3.09Å; E175-C177 PolarHBondContact O-N 3.02Å; C177-V201 CarbonylContact O-C 3.53Å; C177-V201 WeakPolarHBondContact O-CA 3.4Å; C177-V202 WeakPolarHBondContact CB-O 3.24Å; C177-V202 PolarHBondContact O-N 3.29Å; C177-V202 PolarHBondContact SG-O 3.16Å |
| 178 | I | 89.9 | Confident | 88 | Confident | 0 Ų | 0 | 84.8 Ų | 84.8 | 0% | 0 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 122.7 | -172.8 | -54.7 | 173.6 | 0 | 0 | 0 | 109.6 | K159 V162 Q163 L166 E175 N176 L180 F199 | K159-I178 WeakPolarHBondContact CD-O 3.2Å; K159-I178 WeakPolarHBondContact CE-O 3.38Å; K159-I178 PolarHBondContact NZ-O 3.39Å; V162-I178 HydrophobicContact CB-CD1 4.4Å; V162-I178 HydrophobicContact CB-CG2 4.36Å; V162-I178 HydrophobicContact CG1-CD1 4.28Å; V162-I178 HydrophobicContact CG1-CG2 4.15Å; Q163-I178 HydrophobicContact CB-CD1 3.91Å; Q163-I178 HydrophobicContact CG-CD1 4.48Å; L166-I178 HydrophobicContact CD1-CD1 4.14Å; E175-I178 PolarHBondContact O-N 2.91Å; E175-I178 VanDerWaalsContact O-N 3.08Å; N176-I178 VanDerWaalsContact C-N 3.32Å; I178-L180 HydrophobicContact CG2-CD2 4.44Å; I178-F199 HydrophobicContact CG2-CD2 4.08Å; I178-F199 HydrophobicContact CG2-CE2 4.35Å |
| 179 | L | 89.8 | Confident | 87.5 | Confident | 74 Ų | 74 | 79.2 Ų | 79.2 | 39% | 0.387 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 106.8 | 175.9 | -61 | 176.7 | 0 | 0 | 0 | 109.3 | Y200 V202 | L179-Y200 PolarHBondContact N-O 3.32Å; L179-Y200 PolarHBondContact O-N 2.88Å; L179-V202 HydrophobicContact CD1-CG2 3.71Å; L179-V202 HydrophobicContact CG-CG2 4.24Å |
| 180 | L | 88.2 | Confident | 87.1 | Confident | 46 Ų | 46 | 81.6 Ų | 81.6 | 24% | 0.241 | 44% | 0.439 | C | S | . | . | trans | -78 | 155.9 | 174.6 | -67.4 | 176.4 | 0 | 0 | 0 | 111.1 | L157 K159 V162 I178 | L157-L180 HydrophobicContact CD2-CD2 4.35Å; L157-L180 WeakPolarHBondContact O-CD1 3.38Å; K159-L180 HydrophobicContact CG-CD1 3.84Å; K159-L180 HydrophobicContact CG-CG 4.18Å; V162-L180 HydrophobicContact CG2-CD2 3.94Å; I178-L180 HydrophobicContact CG2-CD2 4.44Å | ||
| 181 | P | 86.6 | Confident | 86.7 | Confident | 48 Ų | 48 | 84.7 Ų | 84.7 | 31% | 0.312 | 44% | 0.441 | S | S | . | . | trans | -58.3 | 157.5 | 171.1 | 24.3 | -32.9 | 0 | 0 | 0 | 111.6 | E183 I185 | P181-E183 PolarHBondContact O-N 3.5Å; P181-I185 HydrophobicContact CG-CD1 4.07Å | ||
| 182 | R | 84.6 | Confident | 86.2 | Confident | 258 Ų | 258 | 84.2 Ų | 84.2 | 97% | 0.974 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -65.9 | -28.6 | -179.2 | -67.2 | -176.7 | 179.7 | -179.1 | -0.2 | 113 | ||
| 183 | E | 86.9 | Confident | 85.6 | Confident | 164 Ų | 164 | 81.1 Ų | 81.1 | 77% | 0.766 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -78.7 | 123.3 | 178.4 | -66.4 | 176.4 | -170.9 | 0 | 0 | 109.5 | P181 I185 | P181-E183 PolarHBondContact O-N 3.5Å; E183-I185 PolarHBondContact O-N 2.95Å |
| 184 | T | 87.1 | Confident | 84.9 | Confident | 121 Ų | 121 | 83.5 Ų | 83.5 | 74% | 0.742 | 45% | 0.446 | S | S | * | . | trans | -68.5 | 121.3 | 174.9 | 50.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 185 | I | 87.4 | Confident | 84.6 | Confident | 15 Ų | 15 | 83.6 Ų | 83.6 | 8% | 0.077 | 44% | 0.441 | C | S | . | . | trans | -94.3 | 111.1 | 177.2 | -55 | 162.1 | 0 | 0 | 0 | 107.4 | W155 L157 P181 E183 L192 F197 L215 | W155-I185 HydrophobicContact CH2-CG2 4.4Å; W155-I185 HydrophobicContact CZ3-CG2 4.22Å; L157-I185 HydrophobicContact CB-CB 4.12Å; L157-I185 HydrophobicContact CD2-CB 4.49Å; L157-I185 HydrophobicContact CD2-CD1 3.84Å; L157-I185 PolarHBondContact N-O 3.15Å; P181-I185 HydrophobicContact CG-CD1 4.07Å; E183-I185 PolarHBondContact O-N 2.95Å; I185-L192 HydrophobicContact CG2-CD1 3.9Å; I185-F197 HydrophobicContact CD1-CB 4.17Å; I185-F197 HydrophobicContact CD1-CD1 3.3Å; I185-F197 HydrophobicContact CD1-CD2 4.25Å; I185-F197 HydrophobicContact CD1-CE1 3.68Å; I185-F197 HydrophobicContact CD1-CG 3.61Å; I185-F197 HydrophobicContact CD1-CZ 4.32Å; I185-F197 HydrophobicContact CG1-CD1 4.06Å; I185-F197 HydrophobicContact CG1-CE1 3.95Å; I185-F197 HydrophobicContact CG2-CE1 4.45Å; I185-F197 HydrophobicContact CG2-CZ 4.25Å; I185-L215 HydrophobicContact CG2-CD1 3.86Å | ||
| 186 | S | 88.5 | Confident | 84.3 | Confident | 70 Ų | 70 | 84.6 Ų | 84.6 | 49% | 0.49 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 139.1 | 177.7 | 57.9 | 0 | 0 | 0 | 0 | 110.7 | W155 L192 | W155-S186 WeakPolarHBondContact O-CA 3.42Å; S186-L192 WeakPolarHBondContact O-CD1 3.41Å |
| 187 | G | 84.6 | Confident | 84.1 | Confident | 12 Ų | 12 | 79.2 Ų | 79.2 | 12% | 0.124 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | -179.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | P154 W155 | P154-G187 WeakPolarHBondContact CA-O 3.36Å; W155-G187 PolarHBondContact N-O 3.22Å; W155-G187 VanDerWaalsContact N-O 3.1Å; W155-G187 PolarHBondContact O-N 3.48Å |
| 188 | P | 80.6 | Confident | 84 | Confident | 60 Ų | 60 | 86 Ų | 86 | 39% | 0.39 | 44% | 0.439 | S | S | . | . | S | Bend | cis | -77.2 | 127.9 | 6.4 | 30.1 | -37 | 0 | 0 | 0 | 112.9 | F151 | F151-P188 WeakPolarHBondContact O-CB 3.48Å; F151-P188 WeakPolarHBondContact O-CG 3.45Å |
| 189 | N | 81.2 | Confident | 83.8 | Confident | 68 Ų | 68 | 86 Ų | 86 | 36% | 0.364 | 44% | 0.439 | S | S | . | . | trans | -140.3 | 120.8 | 170.8 | -176.6 | -2.9 | 0 | 0 | 0 | 109.1 | D191 L192 | N189-D191 PolarHBondContact O-N 3.02Å; N189-D191 WeakPolarHBondContact OD1-CB 3.33Å; N189-D191 PolarHBondContact OD1-N 2.89Å; N189-D191 PolarHBondContact OD1-OD2 3.11Å; N189-L192 HydrophobicContact CB-CD1 3.89Å; N189-L192 HydrophobicContact CB-CG 3.95Å; N189-L192 PolarHBondContact O-N 2.91Å; N189-L192 VanDerWaalsContact O-N 3.13Å | ||
| 190 | I | 80.1 | Confident | 83.7 | Confident | 113 Ų | 113 | 87.5 Ų | 87.5 | 58% | 0.579 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -62 | -31.1 | -178.1 | -59.7 | 168.6 | 0 | 0 | 0 | 110.6 | F151 L192 E193 | F151-I190 HydrophobicContact CE2-CG1 4.06Å; F151-I190 HydrophobicContact CZ-CG1 4.4Å; I190-L192 PolarHBondContact O-N 2.96Å; I190-L192 VanDerWaalsContact O-N 3.15Å; I190-E193 VanDerWaalsContact O-CB 3.29Å; I190-E193 WeakPolarHBondContact O-CB 3.29Å; I190-E193 PolarHBondContact O-N 3.14Å |
| 191 | D | 81.8 | Confident | 83.6 | Confident | 129 Ų | 129 | 85.3 Ų | 85.3 | 69% | 0.69 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -66.7 | -16.9 | 179.4 | -61.1 | -33 | 0 | 0 | 0 | 113.4 | N189 | N189-D191 PolarHBondContact O-N 3.02Å; N189-D191 WeakPolarHBondContact OD1-CB 3.33Å; N189-D191 PolarHBondContact OD1-N 2.89Å; N189-D191 PolarHBondContact OD1-OD2 3.11Å |
| 192 | L | 80.3 | Confident | 83.5 | Confident | 27 Ų | 27 | 84.4 Ų | 84.4 | 14% | 0.141 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -90.8 | -13.4 | 177.4 | -53.9 | 177.6 | 0 | 0 | 0 | 112.1 | I185 S186 N189 I190 A194 K195 F197 L215 | I185-L192 HydrophobicContact CG2-CD1 3.9Å; S186-L192 WeakPolarHBondContact O-CD1 3.41Å; N189-L192 HydrophobicContact CB-CD1 3.89Å; N189-L192 HydrophobicContact CB-CG 3.95Å; N189-L192 PolarHBondContact O-N 2.91Å; N189-L192 VanDerWaalsContact O-N 3.13Å; I190-L192 PolarHBondContact O-N 2.96Å; I190-L192 VanDerWaalsContact O-N 3.15Å; L192-A194 PolarHBondContact O-N 3.1Å; L192-K195 HydrophobicContact CD2-CD 4.48Å; L192-K195 WeakPolarHBondContact O-CB 3.45Å; L192-K195 PolarHBondContact O-N 3.29Å; L192-K195 VanDerWaalsContact O-N 3.14Å; L192-F197 HydrophobicContact CD2-CZ 3.89Å; L192-L215 HydrophobicContact CB-CD1 4.2Å |
| 193 | E | 75.7 | Confident | 83 | Confident | 88 Ų | 88 | 73.2 Ų | 73.2 | 41% | 0.411 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 132.3 | 178 | -165.9 | 174.9 | -173.3 | 0 | 0 | 110 | I190 K195 | I190-E193 VanDerWaalsContact O-CB 3.29Å; I190-E193 WeakPolarHBondContact O-CB 3.29Å; I190-E193 PolarHBondContact O-N 3.14Å; E193-K195 PolarHBondContact O-N 3.46Å |
| 194 | A | 73.1 | Confident | 82.2 | Confident | 79 Ų | 79 | 69 Ų | 69 | 65% | 0.653 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 5.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | L192 L215 | L192-A194 PolarHBondContact O-N 3.1Å; A194-L215 PolarHBondContact N-O 2.61Å |
| 195 | K | 83.2 | Confident | 81.1 | Confident | 115 Ų | 115 | 66.4 Ų | 66.4 | 50% | 0.5 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 137.3 | 171.6 | -167 | 169.7 | -177.5 | 178.2 | 0 | 110.1 | L192 E193 F197 | L192-K195 HydrophobicContact CD2-CD 4.48Å; L192-K195 WeakPolarHBondContact O-CB 3.45Å; L192-K195 PolarHBondContact O-N 3.29Å; L192-K195 VanDerWaalsContact O-N 3.14Å; E193-K195 PolarHBondContact O-N 3.46Å; K195-F197 HydrophobicContact CB-CE2 3.92Å; K195-F197 HydrophobicContact CB-CZ 4.16Å; K195-F197 HydrophobicContact CD-CE1 4.45Å; K195-F197 HydrophobicContact CD-CZ 3.92Å; K195-F197 HydrophobicContact CG-CE2 4.16Å; K195-F197 HydrophobicContact CG-CZ 4.03Å |
| 196 | L | 83.8 | Confident | 80 | Confident | 111 Ų | 111 | 72.9 Ų | 72.9 | 58% | 0.581 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 117.5 | -178.1 | -62.4 | 178.9 | 0 | 0 | 0 | 110.5 | V212 L213 P214 | L196-V212 HydrophobicContact CB-CG1 3.64Å; L196-V212 HydrophobicContact CD1-CG1 4.15Å; L196-V212 HydrophobicContact CD2-CG1 3.79Å; L196-V212 HydrophobicContact CG-CG1 4.05Å; L196-L213 WeakPolarHBondContact CA-O 3.34Å; L196-P214 HydrophobicContact CD2-CB 4.1Å |
| 197 | F | 84.5 | Confident | 78.9 | Confident | 30 Ų | 30 | 72.4 Ų | 72.4 | 13% | 0.132 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 134.9 | 173.3 | -61.7 | -85.6 | 0 | 0 | 0 | 110.4 | I185 L192 K195 V212 L213 L215 | I185-F197 HydrophobicContact CD1-CB 4.17Å; I185-F197 HydrophobicContact CD1-CD1 3.3Å; I185-F197 HydrophobicContact CD1-CD2 4.25Å; I185-F197 HydrophobicContact CD1-CE1 3.68Å; I185-F197 HydrophobicContact CD1-CG 3.61Å; I185-F197 HydrophobicContact CD1-CZ 4.32Å; I185-F197 HydrophobicContact CG1-CD1 4.06Å; I185-F197 HydrophobicContact CG1-CE1 3.95Å; I185-F197 HydrophobicContact CG2-CE1 4.45Å; I185-F197 HydrophobicContact CG2-CZ 4.25Å; L192-F197 HydrophobicContact CD2-CZ 3.89Å; K195-F197 HydrophobicContact CB-CE2 3.92Å; K195-F197 HydrophobicContact CB-CZ 4.16Å; K195-F197 HydrophobicContact CD-CE1 4.45Å; K195-F197 HydrophobicContact CD-CZ 3.92Å; K195-F197 HydrophobicContact CG-CE2 4.16Å; K195-F197 HydrophobicContact CG-CZ 4.03Å; F197-V212 CarbonylContact O-C 3.57Å; F197-V212 WeakPolarHBondContact O-CA 3.36Å; F197-L213 HydrophobicContact CB-CB 4.34Å; F197-L213 HydrophobicContact CB-CD1 4.5Å; F197-L213 PolarHBondContact N-O 3.2Å; F197-L213 PolarHBondContact O-N 3.02Å; F197-L215 HydrophobicContact CD2-CD1 3.9Å; F197-L215 HydrophobicContact CD2-CG 4.05Å; F197-L215 HydrophobicContact CE2-CD1 3.44Å; F197-L215 VanDerWaalsContact CE2-CD1 3.44Å; F197-L215 HydrophobicContact CE2-CG 3.99Å; F197-L215 HydrophobicContact CZ-CD1 4.22Å |
| 198 | R | 85.7 | Confident | 78.5 | Confident | 178 Ų | 178 | 76.8 Ų | 76.8 | 67% | 0.672 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92 | 131.1 | 172.5 | -68.7 | -178.6 | -178.6 | -177.9 | 0.2 | 109.1 | T210 L211 | R198-T210 HydrophobicContact CB-CG2 4.23Å; R198-T210 HydrophobicContact CG-CG2 4.23Å; R198-L211 WeakPolarHBondContact CA-O 3.4Å |
| 199 | F | 86.5 | Confident | 78.1 | Confident | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 163.9 | 170.1 | 73.9 | -74.7 | 0 | 0 | 0 | 109.3 | V145 V162 I178 V201 L211 L213 | V145-F199 HydrophobicContact CB-CE1 4.39Å; V145-F199 HydrophobicContact CB-CZ 4.33Å; V145-F199 HydrophobicContact CG2-CE1 4.44Å; V145-F199 HydrophobicContact CG2-CZ 4.1Å; V162-F199 HydrophobicContact CG1-CD2 4.16Å; V162-F199 HydrophobicContact CG1-CE1 4.48Å; V162-F199 HydrophobicContact CG1-CE2 3.48Å; V162-F199 VanDerWaalsContact CG1-CE2 3.48Å; V162-F199 HydrophobicContact CG1-CZ 3.64Å; I178-F199 HydrophobicContact CG2-CD2 4.08Å; I178-F199 HydrophobicContact CG2-CE2 4.35Å; F199-V201 HydrophobicContact CD2-CG2 3.92Å; F199-V201 HydrophobicContact CE2-CG2 3.45Å; F199-V201 VanDerWaalsContact CE2-CG2 3.45Å; F199-V201 HydrophobicContact CZ-CG2 4.4Å; F199-L211 HydrophobicContact CD1-CB 3.69Å; F199-L211 WeakPolarHBondContact CD1-O 3.34Å; F199-L211 HydrophobicContact CD2-CB 4.39Å; F199-L211 HydrophobicContact CE1-CB 3.11Å; F199-L211 HydrophobicContact CE1-CD1 4.13Å; F199-L211 HydrophobicContact CE1-CG 4.23Å; F199-L211 HydrophobicContact CE2-CB 3.92Å; F199-L211 HydrophobicContact CE2-CD1 3.7Å; F199-L211 HydrophobicContact CE2-CG 4.31Å; F199-L211 HydrophobicContact CG-CB 4.32Å; F199-L211 HydrophobicContact CZ-CB 3.3Å; F199-L211 HydrophobicContact CZ-CD1 3.37Å; F199-L211 HydrophobicContact CZ-CG 3.93Å; F199-L211 PolarHBondContact N-O 3.1Å; F199-L211 PolarHBondContact O-N 3.47Å; F199-L213 HydrophobicContact CB-CD1 4.21Å; F199-L213 HydrophobicContact CD1-CD1 3.24Å; F199-L213 HydrophobicContact CD1-CD2 3.88Å; F199-L213 HydrophobicContact CD1-CG 3.28Å; F199-L213 HydrophobicContact CE1-CD1 3.63Å; F199-L213 HydrophobicContact CE1-CD2 3.3Å; F199-L213 HydrophobicContact CE1-CG 3.2Å; F199-L213 HydrophobicContact CG-CD1 3.84Å; F199-L213 HydrophobicContact CG-CG 4.33Å; F199-L213 HydrophobicContact CZ-CD1 4.48Å; F199-L213 HydrophobicContact CZ-CD2 3.84Å; F199-L213 HydrophobicContact CZ-CG 4.19Å |
| 200 | Y | 87.4 | Confident | 77.8 | Confident | 105 Ų | 105 | 73.7 Ų | 73.7 | 41% | 0.412 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 140.2 | -177 | -56.8 | -83.4 | 0 | 0 | 0 | 110.8 | L179 I208 Y209 T210 | L179-Y200 PolarHBondContact N-O 3.32Å; L179-Y200 PolarHBondContact O-N 2.88Å; Y200-I208 HydrophobicContact CD1-CG2 3.73Å; Y200-I208 HydrophobicContact CG-CG2 4Å; Y200-Y209 CarbonylContact C-O 3.57Å; Y200-Y209 VanDerWaalsContact CA-O 3.25Å; Y200-Y209 WeakPolarHBondContact CA-O 3.39Å; Y200-T210 HydrophobicContact CE1-CG2 4.18Å; Y200-T210 VanDerWaalsContact CE1-OG1 3.28Å; Y200-T210 WeakPolarHBondContact CE1-OG1 3.46Å |
| 201 | V | 86.1 | Confident | 77.5 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 128 | 174.4 | 175.3 | 0 | 0 | 0 | 0 | 108.9 | M173 C177 F199 V203 Y209 L211 | M173-V201 HydrophobicContact CE-CG1 3.23Å; M173-V201 HydrophobicContact SD-CG1 3.64Å; C177-V201 CarbonylContact O-C 3.53Å; C177-V201 WeakPolarHBondContact O-CA 3.4Å; F199-V201 HydrophobicContact CD2-CG2 3.92Å; F199-V201 HydrophobicContact CE2-CG2 3.45Å; F199-V201 VanDerWaalsContact CE2-CG2 3.45Å; F199-V201 HydrophobicContact CZ-CG2 4.4Å; V201-V203 HydrophobicContact CG1-CG2 4.28Å; V201-Y209 PolarHBondContact N-O 3.3Å; V201-Y209 PolarHBondContact O-N 3.15Å; V201-L211 HydrophobicContact CB-CD1 4.31Å; V201-L211 HydrophobicContact CG2-CD1 3.52Å; V201-L211 HydrophobicContact CG2-CG 4.22Å |
| 202 | V | 84.5 | Confident | 77.3 | Confident | 30 Ų | 30 | 64.2 Ų | 64.2 | 18% | 0.182 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 119.3 | 179 | -173.3 | 0 | 0 | 0 | 0 | 109.6 | C177 L179 N207 I208 | C177-V202 WeakPolarHBondContact CB-O 3.24Å; C177-V202 PolarHBondContact O-N 3.29Å; C177-V202 PolarHBondContact SG-O 3.16Å; L179-V202 HydrophobicContact CD1-CG2 3.71Å; L179-V202 HydrophobicContact CG-CG2 4.24Å; V202-N207 WeakPolarHBondContact CA-O 3.38Å; V202-I208 HydrophobicContact CG2-CG1 4.33Å |
| 203 | V | 75 | Confident | 77.1 | Confident | 23 Ų | 23 | 63 Ų | 63 | 14% | 0.139 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 132.3 | 176.1 | -177.5 | 0 | 0 | 0 | 0 | 109.3 | L140 M173 V201 G205 L206 N207 Y209 | L140-V203 HydrophobicContact CD1-CG2 3.93Å; M173-V203 HydrophobicContact CE-CG2 3.99Å; V201-V203 HydrophobicContact CG1-CG2 4.28Å; V203-G205 PolarHBondContact O-N 3.04Å; V203-G205 VanDerWaalsContact O-N 3.08Å; V203-L206 PolarHBondContact O-N 3.05Å; V203-N207 PolarHBondContact N-O 3.08Å; V203-N207 PolarHBondContact O-N 3.14Å; V203-Y209 HydrophobicContact CB-CD2 4.29Å; V203-Y209 HydrophobicContact CB-CE2 3.7Å; V203-Y209 HydrophobicContact CG2-CD2 3.68Å; V203-Y209 HydrophobicContact CG2-CE2 3.51Å |
| 204 | S | 69.2 | Low | 77 | Confident | 75 Ų | 75 | 60 Ų | 60 | 52% | 0.524 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | 18.7 | -178.9 | -52.4 | 0 | 0 | 0 | 0 | 115.2 | E133 L206 | E133-S204 VanDerWaalsContact OE1-CB 3.3Å; E133-S204 WeakPolarHBondContact OE1-CB 3.36Å; E133-S204 PolarHBondContact OE1-OG 3.46Å; S204-L206 PolarHBondContact O-N 3.13Å |
| 205 | G | 64.6 | Low | 76.8 | Confident | 67 Ų | 67 | 56.5 Ų | 56.5 | 69% | 0.691 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | -0.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | V203 | V203-G205 PolarHBondContact O-N 3.04Å; V203-G205 VanDerWaalsContact O-N 3.08Å |
| 206 | L | 64.3 | Low | 75.9 | Confident | 150 Ų | 150 | 56.2 Ų | 56.2 | 79% | 0.785 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.9 | -34.4 | -175.1 | -68.2 | 171.6 | 0 | 0 | 0 | 113.2 | V203 S204 | V203-L206 PolarHBondContact O-N 3.05Å; S204-L206 PolarHBondContact O-N 3.13Å |
| 207 | N | 65.7 | Low | 74.9 | Confident | 60 Ų | 60 | 52 Ų | 52 | 32% | 0.321 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 124.8 | -172.6 | -62.6 | -57.2 | 0 | 0 | 0 | 111 | V202 V203 Y209 | V202-N207 WeakPolarHBondContact CA-O 3.38Å; V203-N207 PolarHBondContact N-O 3.08Å; V203-N207 PolarHBondContact O-N 3.14Å; N207-Y209 HydrophobicContact CB-CE1 4.06Å; N207-Y209 HydrophobicContact CB-CE2 4.01Å; N207-Y209 VanDerWaalsContact CB-OH 3.25Å; N207-Y209 WeakPolarHBondContact CB-OH 3.4Å |
| 208 | I | 74.2 | Confident | 73.8 | Confident | 105 Ų | 105 | 57.2 Ų | 57.2 | 54% | 0.538 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 116.7 | 178.5 | -52.7 | -179.7 | 0 | 0 | 0 | 108.6 | Y200 V202 | Y200-I208 HydrophobicContact CD1-CG2 3.73Å; Y200-I208 HydrophobicContact CG-CG2 4Å; V202-I208 HydrophobicContact CG2-CG1 4.33Å |
| 209 | Y | 74 | Confident | 72.3 | Confident | 14 Ų | 14 | 52.5 Ų | 52.5 | 6% | 0.055 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 137.7 | 177.7 | -56.2 | -56.8 | 0 | 0 | 0 | 110.8 | S137 L140 H141 Y200 V201 V203 N207 | S137-Y209 VanDerWaalsContact CB-CE1 3.5Å; S137-Y209 VanDerWaalsContact CB-CZ 3.41Å; S137-Y209 VanDerWaalsContact CB-OH 3.31Å; S137-Y209 WeakPolarHBondContact CB-OH 3.29Å; S137-Y209 WeakPolarHBondContact OG-CE1 3.47Å; L140-Y209 HydrophobicContact CD1-CD2 3.75Å; L140-Y209 HydrophobicContact CD1-CE2 4.25Å; H141-Y209 AromaticContact CD2-CD1 3.82Å; H141-Y209 AromaticContact NE2-CD1 3.45Å; H141-Y209 WeakPolarHBondContact NE2-CD1 3.36Å; Y200-Y209 CarbonylContact C-O 3.57Å; Y200-Y209 VanDerWaalsContact CA-O 3.25Å; Y200-Y209 WeakPolarHBondContact CA-O 3.39Å; V201-Y209 PolarHBondContact N-O 3.3Å; V201-Y209 PolarHBondContact O-N 3.15Å; V203-Y209 HydrophobicContact CB-CD2 4.29Å; V203-Y209 HydrophobicContact CB-CE2 3.7Å; V203-Y209 HydrophobicContact CG2-CD2 3.68Å; V203-Y209 HydrophobicContact CG2-CE2 3.51Å; N207-Y209 HydrophobicContact CB-CE1 4.06Å; N207-Y209 HydrophobicContact CB-CE2 4.01Å; N207-Y209 VanDerWaalsContact CB-OH 3.25Å; N207-Y209 WeakPolarHBondContact CB-OH 3.4Å |
| 210 | T | 73.7 | Confident | 70.8 | Confident | 49 Ų | 49 | 58.4 Ų | 58.4 | 30% | 0.301 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 120.1 | 175.6 | -53.2 | 0 | 0 | 0 | 0 | 108.9 | R198 Y200 | R198-T210 HydrophobicContact CB-CG2 4.23Å; R198-T210 HydrophobicContact CG-CG2 4.23Å; Y200-T210 HydrophobicContact CE1-CG2 4.18Å; Y200-T210 VanDerWaalsContact CE1-OG1 3.28Å; Y200-T210 WeakPolarHBondContact CE1-OG1 3.46Å |
| 211 | L | 75 | Confident | 68.5 | Low | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 153.4 | 174.3 | -66 | -174.5 | 0 | 0 | 0 | 109.9 | L140 L143 V145 L166 R198 F199 V201 | L140-L211 HydrophobicContact CB-CD2 4.13Å; L140-L211 HydrophobicContact CD2-CD1 4.36Å; L140-L211 WeakPolarHBondContact O-CD2 3.25Å; L143-L211 HydrophobicContact CB-CD2 4.33Å; V145-L211 HydrophobicContact CG2-CD1 4.29Å; L166-L211 HydrophobicContact CD2-CD1 4.23Å; R198-L211 WeakPolarHBondContact CA-O 3.4Å; F199-L211 HydrophobicContact CD1-CB 3.69Å; F199-L211 WeakPolarHBondContact CD1-O 3.34Å; F199-L211 HydrophobicContact CD2-CB 4.39Å; F199-L211 HydrophobicContact CE1-CB 3.11Å; F199-L211 HydrophobicContact CE1-CD1 4.13Å; F199-L211 HydrophobicContact CE1-CG 4.23Å; F199-L211 HydrophobicContact CE2-CB 3.92Å; F199-L211 HydrophobicContact CE2-CD1 3.7Å; F199-L211 HydrophobicContact CE2-CG 4.31Å; F199-L211 HydrophobicContact CG-CB 4.32Å; F199-L211 HydrophobicContact CZ-CB 3.3Å; F199-L211 HydrophobicContact CZ-CD1 3.37Å; F199-L211 HydrophobicContact CZ-CG 3.93Å; F199-L211 PolarHBondContact N-O 3.1Å; F199-L211 PolarHBondContact O-N 3.47Å; V201-L211 HydrophobicContact CB-CD1 4.31Å; V201-L211 HydrophobicContact CG2-CD1 3.52Å; V201-L211 HydrophobicContact CG2-CG 4.22Å |
| 212 | V | 76.1 | Confident | 67.7 | Low | 41 Ų | 41 | 68.9 Ų | 68.9 | 25% | 0.248 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 128.1 | -179 | -171.7 | 0 | 0 | 0 | 0 | 109.8 | V145 L196 F197 | V145-V212 PolarHBondContact N-O 3.21Å; L196-V212 HydrophobicContact CB-CG1 3.64Å; L196-V212 HydrophobicContact CD1-CG1 4.15Å; L196-V212 HydrophobicContact CD2-CG1 3.79Å; L196-V212 HydrophobicContact CG-CG1 4.05Å; F197-V212 CarbonylContact O-C 3.57Å; F197-V212 WeakPolarHBondContact O-CA 3.36Å |
| 213 | L | 76.1 | Confident | 66.8 | Low | 1 Ų | 1 | 70.9 Ų | 70.9 | 1% | 0.005 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 114.4 | 179.1 | -59.2 | 156 | 0 | 0 | 0 | 109.7 | V145 V147 L157 V162 L196 F197 F199 | V145-L213 HydrophobicContact CB-CD2 3.58Å; V145-L213 HydrophobicContact CG1-CD2 3.63Å; V145-L213 WeakPolarHBondContact O-CA 3.45Å; V145-L213 WeakPolarHBondContact O-CD2 3.19Å; V147-L213 HydrophobicContact CG2-CD2 3.5Å; L157-L213 HydrophobicContact CD2-CD1 4.45Å; V162-L213 HydrophobicContact CG1-CD2 4.26Å; V162-L213 HydrophobicContact CG2-CD1 4.2Å; V162-L213 HydrophobicContact CG2-CD2 4.32Å; L196-L213 WeakPolarHBondContact CA-O 3.34Å; F197-L213 HydrophobicContact CB-CB 4.34Å; F197-L213 HydrophobicContact CB-CD1 4.5Å; F197-L213 PolarHBondContact N-O 3.2Å; F197-L213 PolarHBondContact O-N 3.02Å; F199-L213 HydrophobicContact CB-CD1 4.21Å; F199-L213 HydrophobicContact CD1-CD1 3.24Å; F199-L213 HydrophobicContact CD1-CD2 3.88Å; F199-L213 HydrophobicContact CD1-CG 3.28Å; F199-L213 HydrophobicContact CE1-CD1 3.63Å; F199-L213 HydrophobicContact CE1-CD2 3.3Å; F199-L213 HydrophobicContact CE1-CG 3.2Å; F199-L213 HydrophobicContact CG-CD1 3.84Å; F199-L213 HydrophobicContact CG-CG 4.33Å; F199-L213 HydrophobicContact CZ-CD1 4.48Å; F199-L213 HydrophobicContact CZ-CD2 3.84Å; F199-L213 HydrophobicContact CZ-CG 4.19Å |
| 214 | P | 74.2 | Confident | 66.3 | Low | 25 Ų | 25 | 73.6 Ų | 73.6 | 16% | 0.162 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 127.4 | 152.5 | 28.9 | -34.7 | 0 | 0 | 0 | 109.1 | I144 V145 I146 V147 L196 | I144-P214 HydrophobicContact CG2-CG 3.6Å; V145-P214 VanDerWaalsContact O-CD 3.29Å; V145-P214 WeakPolarHBondContact O-CD 3.3Å; I146-P214 HydrophobicContact CG1-CG 3.99Å; V147-P214 PolarHBondContact N-O 2.81Å; L196-P214 HydrophobicContact CD2-CB 4.1Å |
| 215 | L | 69.5 | Low | 66.2 | Low | 6 Ų | 6 | 73.5 Ų | 73.5 | 3% | 0.031 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 125.5 | 165.1 | -72 | 175.4 | 0 | 0 | 0 | 109 | V147 M149 W155 L157 I185 L192 A194 F197 | V147-L215 HydrophobicContact CB-CD2 4.1Å; V147-L215 HydrophobicContact CG1-CD2 4.35Å; M149-L215 HydrophobicContact CG-CD2 4.36Å; W155-L215 HydrophobicContact CH2-CD1 3.84Å; W155-L215 HydrophobicContact CH2-CD2 4.33Å; L157-L215 HydrophobicContact CD1-CD2 4.42Å; I185-L215 HydrophobicContact CG2-CD1 3.86Å; L192-L215 HydrophobicContact CB-CD1 4.2Å; A194-L215 PolarHBondContact N-O 2.61Å; F197-L215 HydrophobicContact CD2-CD1 3.9Å; F197-L215 HydrophobicContact CD2-CG 4.05Å; F197-L215 HydrophobicContact CE2-CD1 3.44Å; F197-L215 VanDerWaalsContact CE2-CD1 3.44Å; F197-L215 HydrophobicContact CE2-CG 3.99Å; F197-L215 HydrophobicContact CZ-CD1 4.22Å |
| 216 | M | 65 | Low | 66.3 | Low | 110 Ų | 110 | 73.9 Ų | 73.9 | 54% | 0.542 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 117.3 | 174 | -163.1 | 159.5 | -175 | 0 | 0 | 108.4 | I146 V147 N148 M149 | I146-M216 HydrophobicContact CG2-CB 4.1Å; V147-M216 PolarHBondContact O-N 3.16Å; V147-M216 VanDerWaalsContact O-N 3.1Å; N148-M216 WeakPolarHBondContact CA-O 3.41Å; M149-M216 PolarHBondContact N-O 2.96Å; M149-M216 VanDerWaalsContact N-O 3.14Å |
| 217 | T | 61.7 | Low | 66.4 | Low | 23 Ų | 23 | 68.9 Ų | 68.9 | 14% | 0.141 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 133.1 | 173.4 | 41.1 | 0 | 0 | 0 | 0 | 109.2 | M149 F151 | M149-T217 WeakPolarHBondContact O-CA 3.45Å; F151-T217 HydrophobicContact CD2-CG2 4.36Å |
| 218 | Y | 61.8 | Low | 66.4 | Low | 138 Ų | 138 | 69.5 Ų | 69.5 | 54% | 0.541 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 144.9 | 171 | -167.4 | -101.5 | 0 | 0 | 0 | 109.6 | M149 F151 | M149-Y218 PolarHBondContact O-N 2.89Å; M149-Y218 VanDerWaalsContact O-N 3.08Å; F151-Y218 PolarHBondContact N-O 2.89Å; F151-Y218 VanDerWaalsContact N-O 3.16Å |
| 219 | V | 54.5 | Low | 65.8 | Low | 79 Ų | 79 | 66.8 Ų | 66.8 | 48% | 0.479 | 33% | 0.33 | S | S | . | . | trans | -94.5 | 107.2 | 170.7 | -179.9 | 0 | 0 | 0 | 0 | 106.1 | F151 K221 | F151-V219 HydrophobicContact CB-CG2 4.14Å; F151-V219 HydrophobicContact CG-CG2 4.48Å; V219-K221 PolarHBondContact O-N 3.14Å; V219-K221 VanDerWaalsContact O-N 3.14Å | ||
| 220 | D | 55.2 | Low | 65.2 | Low | 124 Ų | 124 | 71.2 Ų | 71.2 | 66% | 0.663 | 35% | 0.353 | S | S | * | . | trans | -63.7 | 114.5 | 172.6 | -75.3 | -27.6 | 0 | 0 | 0 | 107.8 | ||||
| 221 | K | 39.3 | Very low | 64.4 | Low | 257 Ų | 257 | 73.2 Ų | 73.2 | 100% | 1.117 | 36% | 0.358 | S | S | * | . | trans | -85.8 | 0 | 175.3 | -73.7 | -172.3 | 179.1 | -178.9 | 0 | 111.7 | V219 | V219-K221 PolarHBondContact O-N 3.14Å; V219-K221 VanDerWaalsContact O-N 3.14Å |
Retrieved 221 of 221 residues in 101.4 ms
(Link to these results)