| 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 | 34.6 | Very low | 38.5 | Very low | 255 Ų | 255 | 140.7 Ų | 140.7 | 100% | 1.256 | 84% | 0.837 | S | S | * | * | 0 | 116.2 | 0 | -67.3 | 158.1 | 157.8 | 0 | 0 | 106.2 | |||||
| 2 | G | 34.6 | Very low | 38.5 | Very low | 72 Ų | 72 | 141.8 Ų | 141.8 | 74% | 0.742 | 83% | 0.834 | S | S | * | * | cis | 154.6 | 128.6 | 9.7 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 3 | A | 35.3 | Very low | 38.6 | Very low | 115 Ų | 115 | 142.2 Ų | 142.2 | 95% | 0.95 | 83% | 0.83 | S | S | * | * | trans | 59.4 | 135.3 | 165 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 4 | G | 33.7 | Very low | 38.8 | Very low | 68 Ų | 68 | 140.8 Ų | 140.8 | 70% | 0.701 | 82% | 0.823 | S | S | * | * | cis | 152.3 | 171.8 | 11.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 5 | R | 37.3 | Very low | 38.8 | Very low | 253 Ų | 253 | 140.5 Ų | 140.5 | 96% | 0.955 | 82% | 0.817 | S | S | * | * | trans | 97.1 | 96 | 171.2 | -58.1 | -176.7 | -177.6 | -162.3 | 0.5 | 117.2 | ||||
| 6 | A | 39 | Very low | 38.9 | Very low | 88 Ų | 88 | 141.9 Ų | 141.9 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | trans | -66.2 | -179.6 | 134.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 7 | P | 50.4 | Low | 39 | Very low | 99 Ų | 99 | 143.5 Ų | 143.5 | 64% | 0.643 | 82% | 0.82 | S | S | * | * | cis | -146.5 | 141.4 | 5.1 | 36.7 | -16.3 | 0 | 0 | 0 | 115.3 | ||||
| 8 | W | 34.2 | Very low | 39.4 | Very low | 254 Ų | 254 | 147.1 Ų | 147.1 | 96% | 0.962 | 82% | 0.818 | S | S | * | * | trans | -140.1 | 97.2 | 168.8 | -56.4 | 62.5 | 0 | 0 | 0 | 110.8 | ||||
| 9 | V | 44.7 | Very low | 39.7 | Very low | 132 Ų | 132 | 145 Ų | 145 | 80% | 0.8 | 81% | 0.812 | S | S | * | * | trans | -27.8 | 125 | 156.4 | 177.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 10 | V | 40 | Very low | 39.7 | Very low | 126 Ų | 126 | 145.2 Ų | 145.2 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | trans | -145.5 | 95.1 | 137.7 | -174.6 | 0 | 0 | 0 | 0 | 108.3 | L12 | V10-L12 HydrophobicContact CG1-CG 4.07Å; V10-L12 PolarHBondContact O-N 2.94Å | ||
| 11 | A | 40 | Very low | 40 | Very low | 86 Ų | 86 | 142.2 Ų | 142.2 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | trans | -77.7 | 104.6 | 160.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | L13 | A11-L13 PolarHBondContact O-N 3.48Š| ||
| 12 | L | 38.6 | Very low | 40.3 | Very low | 153 Ų | 153 | 138.7 Ų | 138.7 | 80% | 0.801 | 78% | 0.778 | S | S | * | * | trans | -81.9 | 92.2 | 166.5 | -92.7 | 162.5 | 0 | 0 | 0 | 108.2 | V10 V14 | V10-L12 HydrophobicContact CG1-CG 4.07Å; V10-L12 PolarHBondContact O-N 2.94Å; L12-V14 VanDerWaalsContact C-N 3.32Å; L12-V14 PolarHBondContact O-N 3.08Å; L12-V14 VanDerWaalsContact O-N 3.09Å | ||
| 13 | L | 39.5 | Very low | 40.7 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | trans | -70.5 | 92.3 | 160.4 | -74.6 | 166.5 | 0 | 0 | 0 | 107.6 | A11 N15 | A11-L13 PolarHBondContact O-N 3.48Å; L13-N15 VanDerWaalsContact C-N 3.29Å; L13-N15 PolarHBondContact O-N 2.91Å | ||
| 14 | V | 41.6 | Very low | 41.4 | Very low | 122 Ų | 122 | 142.5 Ų | 142.5 | 74% | 0.739 | 77% | 0.766 | S | S | * | * | trans | -70.2 | 98 | 159.4 | -178.9 | 0 | 0 | 0 | 0 | 105.5 | L12 L16 | L12-V14 VanDerWaalsContact C-N 3.32Å; L12-V14 PolarHBondContact O-N 3.08Å; L12-V14 VanDerWaalsContact O-N 3.09Å; V14-L16 PolarHBondContact O-N 2.84Å | ||
| 15 | N | 39.2 | Very low | 42.1 | Very low | 136 Ų | 136 | 147.6 Ų | 147.6 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -55.7 | 107.3 | 165.3 | -81.5 | -53.6 | 0 | 0 | 0 | 107.2 | L13 M17 | L13-N15 VanDerWaalsContact C-N 3.29Å; L13-N15 PolarHBondContact O-N 2.91Å; N15-M17 PolarHBondContact O-N 3.43Å | ||
| 16 | L | 39.6 | Very low | 42.9 | Very low | 163 Ų | 163 | 138.2 Ų | 138.2 | 85% | 0.853 | 75% | 0.754 | S | S | * | * | trans | -61.8 | 80.5 | 159 | -86.7 | 152.9 | 0 | 0 | 0 | 107.1 | V14 R18 | V14-L16 PolarHBondContact O-N 2.84Å; L16-R18 PolarHBondContact O-N 3.14Å | ||
| 17 | M | 41.1 | Very low | 43.7 | Very low | 170 Ų | 170 | 144.7 Ų | 144.7 | 84% | 0.837 | 76% | 0.76 | S | S | * | * | trans | -65.7 | 90.1 | 146.8 | -73.3 | -160.3 | -75.2 | 0 | 0 | 104.8 | N15 P19 | N15-M17 PolarHBondContact O-N 3.43Å; M17-P19 WeakPolarHBondContact O-CD 3.43Å; M17-P19 VanDerWaalsContact O-N 3.16Å | ||
| 18 | R | 45.7 | Very low | 44.4 | Very low | 207 Ų | 207 | 147.8 Ų | 147.8 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | trans | -52.8 | 116.1 | 150.8 | -111.1 | -177.2 | 171.4 | 115.8 | -2.6 | 103.9 | L16 D20 | L16-R18 PolarHBondContact O-N 3.14Å; R18-D20 VanDerWaalsContact C-N 3.33Å; R18-D20 PolarHBondContact O-N 3.38Å; R18-D20 VanDerWaalsContact O-N 3.07Å | ||
| 19 | P | 45.4 | Very low | 46.1 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | trans | -58 | 117.6 | 148.5 | 2.8 | 13.5 | 0 | 0 | 0 | 102.6 | M17 S21 | M17-P19 WeakPolarHBondContact O-CD 3.43Å; M17-P19 VanDerWaalsContact O-N 3.16Å; P19-S21 PolarHBondContact O-N 2.73Å | ||
| 20 | D | 39.9 | Very low | 47.9 | Very low | 148 Ų | 148 | 139.9 Ų | 139.9 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | trans | -57.8 | 91.8 | 152.6 | -82.5 | -30.2 | 0 | 0 | 0 | 103.7 | R18 F22 | R18-D20 VanDerWaalsContact C-N 3.33Å; R18-D20 PolarHBondContact O-N 3.38Å; R18-D20 VanDerWaalsContact O-N 3.07Å; D20-F22 PolarHBondContact O-N 3.26Å | ||
| 21 | S | 45.3 | Very low | 50.3 | Low | 84 Ų | 84 | 142.5 Ų | 142.5 | 59% | 0.587 | 76% | 0.762 | S | S | * | * | trans | -56.6 | 92.9 | 153.4 | 47.7 | 0 | 0 | 0 | 0 | 102.5 | P19 M23 | P19-S21 PolarHBondContact O-N 2.73Å; S21-M23 PolarHBondContact O-N 3.44Å | ||
| 22 | F | 41.6 | Very low | 52.9 | Low | 181 Ų | 181 | 144.3 Ų | 144.3 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | trans | -60 | 75.7 | 149.6 | -153.3 | -89.7 | 0 | 0 | 0 | 103.8 | D20 V24 | D20-F22 PolarHBondContact O-N 3.26Å; F22-V24 HydrophobicContact CD1-CG2 3.81Å; F22-V24 HydrophobicContact CE1-CG2 4.08Å; F22-V24 PolarHBondContact O-N 2.9Å | ||
| 23 | M | 42.2 | Very low | 55.6 | Low | 153 Ų | 153 | 143.7 Ų | 143.7 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | trans | -57.5 | 101.6 | 152.2 | -69.1 | -158.6 | 174.3 | 0 | 0 | 101 | S21 E25 | S21-M23 PolarHBondContact O-N 3.44Å; M23-E25 PolarHBondContact O-N 3.29Å | ||
| 24 | V | 51.3 | Low | 58.3 | Low | 114 Ų | 114 | 139.3 Ų | 139.3 | 69% | 0.691 | 73% | 0.73 | S | S | * | * | trans | -53.9 | 95.5 | 150.8 | 177.4 | 0 | 0 | 0 | 0 | 102 | F22 G26 | F22-V24 HydrophobicContact CD1-CG2 3.81Å; F22-V24 HydrophobicContact CE1-CG2 4.08Å; F22-V24 PolarHBondContact O-N 2.9Å; V24-G26 PolarHBondContact O-N 3.02Å | ||
| 25 | E | 48.5 | Very low | 61 | Low | 174 Ų | 174 | 139.4 Ų | 139.4 | 81% | 0.813 | 73% | 0.725 | S | S | * | * | trans | -62.1 | 86.4 | 162.7 | -168.1 | 135.9 | -157.4 | 0 | 0 | 102.7 | M23 R27 | M23-E25 PolarHBondContact O-N 3.29Å; E25-R27 PolarHBondContact O-N 3.48Å | ||
| 26 | G | 52.5 | Low | 63.8 | Low | 57 Ų | 57 | 136.2 Ų | 136.2 | 59% | 0.588 | 71% | 0.706 | S | S | * | * | trans | -57.7 | 97.3 | 166 | 0 | 0 | 0 | 0 | 0 | 102.8 | V24 D28 | V24-G26 PolarHBondContact O-N 3.02Å; G26-D28 PolarHBondContact O-N 3.48Å | ||
| 27 | R | 57 | Low | 66.6 | Low | 224 Ų | 224 | 131.9 Ų | 131.9 | 85% | 0.845 | 69% | 0.693 | S | S | * | * | trans | -45 | 123.2 | 163.6 | -77.3 | 178.9 | -177 | 163.8 | 1.7 | 104.7 | E25 S29 | E25-R27 PolarHBondContact O-N 3.48Å; R27-S29 VanDerWaalsContact C-N 3.29Å; R27-S29 PolarHBondContact O-N 3.42Å | ||
| 28 | D | 64.6 | Low | 69.3 | Low | 163 Ų | 163 | 128.5 Ų | 128.5 | 87% | 0.872 | 67% | 0.674 | S | S | * | * | trans | -42 | 104 | 169.9 | -88.1 | -30.7 | 0 | 0 | 0 | 106.6 | G26 | G26-D28 PolarHBondContact O-N 3.48Š| ||
| 29 | S | 69.6 | Low | 71.8 | Confident | 103 Ų | 103 | 122.1 Ų | 122.1 | 72% | 0.72 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 129.5 | 168.5 | -64.4 | 0 | 0 | 0 | 0 | 103.7 | R27 E31 | R27-S29 VanDerWaalsContact C-N 3.29Å; R27-S29 PolarHBondContact O-N 3.42Å; S29-E31 PolarHBondContact O-N 3.01Å |
| 30 | P | 83.6 | Confident | 74.3 | Confident | 118 Ų | 118 | 119.6 Ų | 119.6 | 77% | 0.766 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 135.3 | -179.8 | 19.7 | -30.1 | 0 | 0 | 0 | 108.8 | D32 | P30-D32 PolarHBondContact O-N 3.34Å; P30-D32 VanDerWaalsContact O-N 3.11Å |
| 31 | E | 89.5 | Confident | 77.1 | Confident | 181 Ų | 181 | 114.4 Ų | 114.4 | 85% | 0.846 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 120.3 | 178 | -66.3 | -175.8 | 161.6 | 0 | 0 | 108.9 | S29 F33 | S29-E31 PolarHBondContact O-N 3.01Å; E31-F33 HydrophobicContact CB-CE2 4.27Å |
| 32 | D | 93.9 | Very high | 79.6 | Confident | 123 Ų | 123 | 114.9 Ų | 114.9 | 66% | 0.658 | 61% | 0.609 | S | S | * | * | trans | -132.9 | 140.6 | -178.6 | -174 | 32.3 | 0 | 0 | 0 | 110 | P30 | P30-D32 PolarHBondContact O-N 3.34Å; P30-D32 VanDerWaalsContact O-N 3.11Å | ||
| 33 | F | 95.4 | Very high | 82.3 | Confident | 140 Ų | 140 | 109.8 Ų | 109.8 | 61% | 0.614 | 59% | 0.586 | S | S | * | * | trans | -137 | 124.6 | -177.5 | -59.4 | -83.3 | 0 | 0 | 0 | 109.2 | E31 F58 | E31-F33 HydrophobicContact CB-CE2 4.27Å; F33-F58 HydrophobicContact CB-CE2 4.43Å; F33-F58 AromaticContact CD1-CZ 3.83Å; F33-F58 HydrophobicContact CD1-CZ 3.83Å | ||
| 34 | V | 97.6 | Very high | 84.9 | Confident | 57 Ų | 57 | 106.6 Ų | 106.6 | 35% | 0.345 | 58% | 0.575 | S | S | . | * | trans | -121.7 | 124.5 | -174.6 | -174.7 | 0 | 0 | 0 | 0 | 109.7 | Q36 N59 | V34-Q36 HydrophobicContact CG1-CG 3.73Å; V34-N59 PolarHBondContact N-OD1 3.3Å; V34-N59 PolarHBondContact O-N 3.01Å | ||
| 35 | I | 97.5 | Very high | 87 | Confident | 124 Ų | 124 | 107.1 Ų | 107.1 | 64% | 0.636 | 58% | 0.575 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.1 | 133.2 | 166.2 | -167.5 | 169.6 | 0 | 0 | 0 | 109.4 | I57 | I35-I57 WeakPolarHBondContact CA-O 3.43Å |
| 36 | Q | 98.4 | Very high | 89.2 | Confident | 69 Ų | 69 | 100.1 Ų | 100.1 | 32% | 0.322 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 143.2 | 180 | -46 | 173.6 | 51.4 | 0 | 0 | 109.3 | V34 I57 N59 | V34-Q36 HydrophobicContact CG1-CG 3.73Å; Q36-I57 HydrophobicContact CB-CB 4.21Å; Q36-I57 PolarHBondContact N-O 3.45Å; Q36-I57 PolarHBondContact O-N 2.93Å; Q36-N59 PolarHBondContact NE2-O 3.46Å |
| 37 | A | 97.8 | Very high | 91.3 | Very high | 72 Ų | 72 | 99.3 Ų | 99.3 | 60% | 0.595 | 53% | 0.533 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 132.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109 | R55 F56 | A37-R55 CarbonylContact C-O 3.4Å; A37-R55 VanDerWaalsContact CA-O 3.29Å; A37-R55 WeakPolarHBondContact CA-O 3.35Å; A37-F56 HydrophobicContact CB-CD1 4.37Å; A37-F56 HydrophobicContact CB-CE1 4.45Å |
| 38 | K | 98.4 | Very high | 93.1 | Very high | 98 Ų | 98 | 95.3 Ų | 95.3 | 43% | 0.426 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 114.6 | 177 | -63.3 | -176.2 | -178.9 | 178.7 | 0 | 109.2 | E40 V54 R55 I57 | K38-E40 HydrophobicContact CB-CG 4.28Å; K38-V54 CarbonylContact O-C 3.5Å; K38-V54 VanDerWaalsContact O-CA 3.28Å; K38-V54 WeakPolarHBondContact O-CA 3.47Å; K38-R55 HydrophobicContact CB-CB 4.43Å; K38-R55 PolarHBondContact N-O 3.36Å; K38-R55 PolarHBondContact O-N 2.86Å; K38-I57 HydrophobicContact CD-CD1 4.02Å; K38-I57 HydrophobicContact CG-CD1 4.28Å |
| 39 | A | 97.9 | Very high | 94.6 | Very high | 74 Ų | 74 | 94 Ų | 94 | 61% | 0.612 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 103.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | F52 V54 | A39-F52 HydrophobicContact CB-CE2 4.04Å; A39-F52 HydrophobicContact CB-CZ 4.31Å; A39-V54 HydrophobicContact CB-CG2 4.38Å |
| 40 | E | 98.3 | Very high | 96 | Very high | 55 Ų | 55 | 89.7 Ų | 89.7 | 26% | 0.257 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 132.5 | -172.2 | -58.8 | 179 | 115.5 | 0 | 0 | 110.3 | K38 Y42 F52 L53 R55 | K38-E40 HydrophobicContact CB-CG 4.28Å; E40-Y42 HydrophobicContact CB-CD2 4.48Å; E40-Y42 HydrophobicContact CB-CE2 3.79Å; E40-Y42 VanDerWaalsContact CD-OH 3.26Å; E40-Y42 PolarHBondContact OE1-OH 2.97Å; E40-Y42 PolarHBondContact OE2-OH 3.47Å; E40-Y42 VanDerWaalsContact OE2-OH 3.06Å; E40-F52 WeakPolarHBondContact O-CA 3.37Å; E40-F52 WeakPolarHBondContact O-CD2 3.27Å; E40-L53 HydrophobicContact CB-CB 4.48Å; E40-L53 PolarHBondContact N-O 3.35Å; E40-L53 PolarHBondContact O-N 3.35Å; E40-R55 WeakPolarHBondContact OE2-CD 3.3Å; E40-R55 IonicContact OE2-CZ 3.93Å; E40-R55 IonicContact OE2-NE 2.81Å; E40-R55 PolarHBondContact OE2-NE 3.48Å; E40-R55 IonicContact OE2-NH2 3.64Å |
| 41 | C | 98.4 | Very high | 96.7 | Very high | 38 Ų | 38 | 88.3 Ų | 88.3 | 26% | 0.257 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 112.8 | 173.1 | -64.5 | 0 | 0 | 0 | 0 | 108.8 | F43 C105 | C41-F43 HydrophobicContact CB-CD2 4.37Å; C41-F43 HydrophobicContact CB-CE1 4.39Å; C41-F43 HydrophobicContact CB-CE2 3.46Å; C41-F43 VanDerWaalsContact CB-CE2 3.46Å; C41-F43 HydrophobicContact CB-CZ 3.47Å; C41-F43 VanDerWaalsContact CB-CZ 3.47Å; C41-F43 WeakPolarHBondContact O-CD2 3.32Å; C41-F43 WeakPolarHBondContact O-CE2 3.31Å; C41-C105 HydrophobicContact CB-CB 3.57Å; C41-C105 WeakPolarHBondContact CB-SG 3.47Å; C41-C105 WeakPolarHBondContact SG-CA 3.33Å; C41-C105 WeakPolarHBondContact SG-CB 3.29Å; C41-C105 CovalentContact SG-SG 2.03Å; C41-C105 PolarHBondContact SG-SG 3.13Å |
| 42 | Y | 98.2 | Very high | 97.1 | Very high | 95 Ų | 95 | 80.3 Ų | 80.3 | 37% | 0.373 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 121.9 | 175.9 | -60 | -85.1 | 0 | 0 | 0 | 109.5 | E40 V50 R51 L53 | E40-Y42 HydrophobicContact CB-CD2 4.48Å; E40-Y42 HydrophobicContact CB-CE2 3.79Å; E40-Y42 VanDerWaalsContact CD-OH 3.26Å; E40-Y42 PolarHBondContact OE1-OH 2.97Å; E40-Y42 PolarHBondContact OE2-OH 3.47Å; E40-Y42 VanDerWaalsContact OE2-OH 3.06Å; Y42-V50 WeakPolarHBondContact O-CA 3.23Å; Y42-R51 PolarHBondContact N-O 3.1Å; Y42-R51 PolarHBondContact O-N 3.3Å; Y42-L53 HydrophobicContact CE2-CB 4.04Å; Y42-L53 HydrophobicContact CE2-CD2 4.01Å |
| 43 | F | 98 | Very high | 97.4 | Very high | 73 Ų | 73 | 74.6 Ų | 74.6 | 32% | 0.32 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 129.2 | -176.9 | -61.4 | -79.3 | 0 | 0 | 0 | 109.8 | C41 G46 V50 C105 Y109 | C41-F43 HydrophobicContact CB-CD2 4.37Å; C41-F43 HydrophobicContact CB-CE1 4.39Å; C41-F43 HydrophobicContact CB-CE2 3.46Å; C41-F43 VanDerWaalsContact CB-CE2 3.46Å; C41-F43 HydrophobicContact CB-CZ 3.47Å; C41-F43 VanDerWaalsContact CB-CZ 3.47Å; C41-F43 WeakPolarHBondContact O-CD2 3.32Å; C41-F43 WeakPolarHBondContact O-CE2 3.31Å; F43-G46 WeakPolarHBondContact CB-O 3.46Å; F43-V50 HydrophobicContact CD1-CG1 4.21Å; F43-V50 HydrophobicContact CD1-CG2 3.89Å; F43-V50 HydrophobicContact CE1-CG1 4.01Å; F43-V50 HydrophobicContact CE1-CG2 4.2Å; F43-C105 HydrophobicContact CE1-CB 4.01Å; F43-C105 WeakPolarHBondContact CE1-O 3.46Å; F43-C105 HydrophobicContact CZ-CB 3.92Å; F43-C105 VanDerWaalsContact CZ-O 3.29Å; F43-C105 WeakPolarHBondContact CZ-O 3.49Å; F43-Y109 HydrophobicContact CB-CD2 4.38Å; F43-Y109 HydrophobicContact CB-CE2 4.28Å; F43-Y109 AromaticContact CD1-CD2 3.58Å; F43-Y109 HydrophobicContact CD1-CD2 3.58Å; F43-Y109 HydrophobicContact CD1-CE2 4.23Å; F43-Y109 HydrophobicContact CD1-CG 4.15Å; F43-Y109 AromaticContact CD2-CD2 3.97Å; F43-Y109 HydrophobicContact CD2-CD2 3.97Å; F43-Y109 AromaticContact CE1-CD2 3.74Å; F43-Y109 HydrophobicContact CE1-CD2 3.74Å; F43-Y109 AromaticContact CE1-CG 4Å; F43-Y109 HydrophobicContact CE1-CG 4Å; F43-Y109 HydrophobicContact CE2-CD2 4.1Å; F43-Y109 AromaticContact CG-CD2 3.7Å; F43-Y109 HydrophobicContact CG-CD2 3.7Å; F43-Y109 HydrophobicContact CG-CE2 4.09Å; F43-Y109 AromaticContact CZ-CD2 3.99Å; F43-Y109 HydrophobicContact CZ-CD2 3.99Å; F43-Y109 HydrophobicContact CZ-CG 4.38Å |
| 44 | T | 97.2 | Very high | 97.5 | Very high | 86 Ų | 86 | 69 Ų | 69 | 53% | 0.528 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 128.8 | 173.2 | -53.2 | 0 | 0 | 0 | 0 | 109.2 | K49 | T44-K49 PolarHBondContact N-O 3.37Å; T44-K49 PolarHBondContact O-N 3.21Å |
| 45 | N | 95.3 | Very high | 97.5 | Very high | 126 Ų | 126 | 69.4 Ų | 69.4 | 67% | 0.674 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 59.4 | -171.5 | -161.1 | 24.5 | 0 | 0 | 0 | 112.1 | T47 E48 | N45-T47 PolarHBondContact O-N 3.48Å; N45-E48 HydrophobicContact CB-CB 4.32Å; N45-E48 PolarHBondContact ND2-OE2 3.04Å; N45-E48 WeakPolarHBondContact O-CB 3.4Å; N45-E48 PolarHBondContact O-N 3.35Å |
| 46 | G | 93.8 | Very high | 97.6 | Very high | 27 Ų | 27 | 65.3 Ų | 65.3 | 28% | 0.278 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | -119.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F43 Y109 | F43-G46 WeakPolarHBondContact CB-O 3.46Å; G46-Y109 WeakPolarHBondContact CA-OH 3.49Å |
| 47 | T | 96.3 | Very high | 97.6 | Very high | 39 Ų | 39 | 62.7 Ų | 62.7 | 24% | 0.239 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 6.6 | 177.5 | 62.7 | 0 | 0 | 0 | 0 | 113.2 | N45 V50 R106 Y109 | N45-T47 PolarHBondContact O-N 3.48Å; T47-V50 WeakPolarHBondContact O-CG2 3.28Å; T47-R106 PolarHBondContact O-NH1 2.87Å; T47-R106 PolarHBondContact O-NH2 2.88Å; T47-R106 VanDerWaalsContact O-NH2 3.11Å; T47-Y109 HydrophobicContact CG2-CD1 3.35Å; T47-Y109 HydrophobicContact CG2-CD2 4.45Å; T47-Y109 HydrophobicContact CG2-CE1 3.86Å; T47-Y109 HydrophobicContact CG2-CG 3.7Å |
| 48 | E | 94.9 | Very high | 97.6 | Very high | 141 Ų | 141 | 62.7 Ų | 62.7 | 66% | 0.659 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -57.5 | -177 | -172.3 | 179.9 | 172 | 0 | 0 | 111.5 | N45 R106 | N45-E48 HydrophobicContact CB-CB 4.32Å; N45-E48 PolarHBondContact ND2-OE2 3.04Å; N45-E48 WeakPolarHBondContact O-CB 3.4Å; N45-E48 PolarHBondContact O-N 3.35Å; E48-R106 PolarHBondContact O-NH2 2.71Å |
| 49 | K | 97.4 | Very high | 97.5 | Very high | 134 Ų | 134 | 60.8 Ų | 60.8 | 58% | 0.583 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 122.8 | 174.2 | -175.3 | 178.4 | -177.8 | -178.9 | 0 | 109.8 | T44 | T44-K49 PolarHBondContact N-O 3.37Å; T44-K49 PolarHBondContact O-N 3.21Å |
| 50 | V | 98.3 | Very high | 97.5 | Very high | 14 Ų | 14 | 65.3 Ų | 65.3 | 9% | 0.085 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 125.4 | -178.9 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | Y42 F43 T47 V101 C105 R106 | Y42-V50 WeakPolarHBondContact O-CA 3.23Å; F43-V50 HydrophobicContact CD1-CG1 4.21Å; F43-V50 HydrophobicContact CD1-CG2 3.89Å; F43-V50 HydrophobicContact CE1-CG1 4.01Å; F43-V50 HydrophobicContact CE1-CG2 4.2Å; T47-V50 WeakPolarHBondContact O-CG2 3.28Å; V50-V101 HydrophobicContact CB-CG1 3.97Å; V50-V101 HydrophobicContact CG1-CG1 3.97Å; V50-C105 HydrophobicContact CG1-CB 3.57Å; V50-R106 HydrophobicContact CG2-CG 4.06Å |
| 51 | R | 98.3 | Very high | 97.5 | Very high | 88 Ų | 88 | 67 Ų | 67 | 33% | 0.332 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 129.1 | 171.5 | -179.7 | -177.9 | 177.8 | -159.9 | 3.7 | 109 | Y42 D67 S68 D69 | Y42-R51 PolarHBondContact N-O 3.1Å; Y42-R51 PolarHBondContact O-N 3.3Å; R51-D67 IonicContact CZ-OD1 3.97Å; R51-D67 IonicContact CZ-OD2 3.1Å; R51-D67 IonicContact NE-OD1 3.68Å; R51-D67 PolarHBondContact NE-OD1 3.5Å; R51-D67 IonicContact NE-OD2 2.71Å; R51-D67 PolarHBondContact NE-OD2 3.49Å; R51-D67 IonicContact NH2-OD1 2.7Å; R51-D67 IonicContact NH2-OD2 3.34Å; R51-D67 PolarHBondContact NH2-OD2 3.47Å; R51-S68 WeakPolarHBondContact CA-OG 3.32Å; R51-D69 WeakPolarHBondContact CD-OD2 3.47Å; R51-D69 IonicContact NE-OD2 3.89Å |
| 52 | F | 98.6 | Very high | 97.5 | Very high | 14 Ų | 14 | 67.1 Ų | 67.1 | 6% | 0.061 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 127.3 | 174 | 178.7 | -118.3 | 0 | 0 | 0 | 109.3 | A39 E40 V54 F66 S68 A100 V101 C105 | A39-F52 HydrophobicContact CB-CE2 4.04Å; A39-F52 HydrophobicContact CB-CZ 4.31Å; E40-F52 WeakPolarHBondContact O-CA 3.37Å; E40-F52 WeakPolarHBondContact O-CD2 3.27Å; F52-V54 HydrophobicContact CD1-CG2 4.14Å; F52-V54 HydrophobicContact CE1-CG2 3.26Å; F52-V54 HydrophobicContact CE2-CG2 3.93Å; F52-V54 HydrophobicContact CZ-CG2 3.15Å; F52-F66 HydrophobicContact CD1-CD1 4.1Å; F52-F66 HydrophobicContact CD1-CE1 4.13Å; F52-F66 HydrophobicContact CE1-CD1 4.4Å; F52-S68 PolarHBondContact N-OG 3.11Å; F52-S68 WeakPolarHBondContact O-CB 3.07Å; F52-S68 PolarHBondContact O-N 3.21Å; F52-S68 PolarHBondContact O-OG 2.87Å; F52-A100 HydrophobicContact CD1-CB 3.64Å; F52-A100 HydrophobicContact CE1-CB 3.35Å; F52-A100 HydrophobicContact CE2-CB 4.39Å; F52-A100 HydrophobicContact CG-CB 4.26Å; F52-A100 HydrophobicContact CZ-CB 3.76Å; F52-V101 HydrophobicContact CB-CG2 3.69Å; F52-C105 WeakPolarHBondContact CD2-SG 3.4Å |
| 53 | L | 98.5 | Very high | 97.5 | Very high | 3 Ų | 3 | 63.4 Ų | 63.4 | 2% | 0.016 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 122.6 | -178.6 | -176.8 | 67.9 | 0 | 0 | 0 | 108.8 | E40 Y42 R55 H65 F66 D67 | E40-L53 HydrophobicContact CB-CB 4.48Å; E40-L53 PolarHBondContact N-O 3.35Å; E40-L53 PolarHBondContact O-N 3.35Å; Y42-L53 HydrophobicContact CE2-CB 4.04Å; Y42-L53 HydrophobicContact CE2-CD2 4.01Å; L53-R55 HydrophobicContact CD2-CG 4.22Å; L53-R55 VanDerWaalsContact CD2-CZ 3.45Å; L53-R55 HydrophobicContact CG-CG 4.12Å; L53-H65 HydrophobicContact CD1-CB 4.12Å; L53-F66 CarbonylContact C-O 3.56Å; L53-F66 VanDerWaalsContact CA-O 3.31Å; L53-F66 WeakPolarHBondContact CA-O 3.49Å; L53-F66 WeakPolarHBondContact CD1-O 3.38Å; L53-D67 HydrophobicContact CD1-CB 3.97Å |
| 54 | V | 98.3 | Very high | 97.5 | Very high | 21 Ų | 21 | 60 Ų | 60 | 13% | 0.127 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 115.2 | 172.7 | -172.2 | 0 | 0 | 0 | 0 | 108.7 | K38 A39 F52 F56 H65 F66 | K38-V54 CarbonylContact O-C 3.5Å; K38-V54 VanDerWaalsContact O-CA 3.28Å; K38-V54 WeakPolarHBondContact O-CA 3.47Å; A39-V54 HydrophobicContact CB-CG2 4.38Å; F52-V54 HydrophobicContact CD1-CG2 4.14Å; F52-V54 HydrophobicContact CE1-CG2 3.26Å; F52-V54 HydrophobicContact CE2-CG2 3.93Å; F52-V54 HydrophobicContact CZ-CG2 3.15Å; V54-F56 HydrophobicContact CB-CE2 4.18Å; V54-F56 HydrophobicContact CG1-CD2 4.33Å; V54-F56 HydrophobicContact CG1-CE2 3.57Å; V54-F56 HydrophobicContact CG1-CZ 3.68Å; V54-H65 CarbonylContact O-C 3.55Å; V54-H65 WeakPolarHBondContact O-CA 3.43Å; V54-H65 WeakPolarHBondContact O-CB 3.17Å; V54-F66 HydrophobicContact CB-CB 4.3Å; V54-F66 PolarHBondContact N-O 3.28Å; V54-F66 PolarHBondContact O-N 3.43Å |
| 55 | R | 98.5 | Very high | 97.5 | Very high | 66 Ų | 66 | 57 Ų | 57 | 25% | 0.249 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 135.9 | 178.1 | -56.9 | 177.8 | -176.6 | -97.8 | 1.7 | 110.5 | A37 K38 E40 L53 I57 E62 H65 | A37-R55 CarbonylContact C-O 3.4Å; A37-R55 VanDerWaalsContact CA-O 3.29Å; A37-R55 WeakPolarHBondContact CA-O 3.35Å; K38-R55 HydrophobicContact CB-CB 4.43Å; K38-R55 PolarHBondContact N-O 3.36Å; K38-R55 PolarHBondContact O-N 2.86Å; E40-R55 WeakPolarHBondContact OE2-CD 3.3Å; E40-R55 IonicContact OE2-CZ 3.93Å; E40-R55 IonicContact OE2-NE 2.81Å; E40-R55 PolarHBondContact OE2-NE 3.48Å; E40-R55 IonicContact OE2-NH2 3.64Å; L53-R55 HydrophobicContact CD2-CG 4.22Å; L53-R55 VanDerWaalsContact CD2-CZ 3.45Å; L53-R55 HydrophobicContact CG-CG 4.12Å; R55-I57 HydrophobicContact CB-CD1 4.41Å; R55-I57 HydrophobicContact CB-CG1 4.48Å; R55-E62 HydrophobicContact CB-CG 4.18Å; R55-E62 WeakPolarHBondContact CD-OE2 3.3Å; R55-E62 WeakPolarHBondContact CG-OE1 3.45Å; R55-E62 IonicContact CZ-OE1 3.31Å; R55-E62 IonicContact CZ-OE2 3.83Å; R55-E62 IonicContact NE-OE2 3.47Å; R55-E62 VanDerWaalsContact NH1-CD 3.3Å; R55-E62 IonicContact NH1-OE1 3.4Å; R55-E62 PolarHBondContact NH1-OE1 3.03Å; R55-E62 VanDerWaalsContact NH1-OE1 3.1Å; R55-E62 IonicContact NH1-OE2 3.42Å; R55-E62 PolarHBondContact NH1-OE2 3.46Å; R55-H65 HydrophobicContact CG-CB 4.39Å |
| 56 | F | 98.4 | Very high | 97.7 | Very high | 39 Ų | 39 | 51 Ų | 51 | 17% | 0.171 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 123.9 | 173.2 | -61.3 | -95.1 | 0 | 0 | 0 | 108.7 | A37 V54 E62 Y63 L64 F73 W87 | A37-F56 HydrophobicContact CB-CD1 4.37Å; A37-F56 HydrophobicContact CB-CE1 4.45Å; V54-F56 HydrophobicContact CB-CE2 4.18Å; V54-F56 HydrophobicContact CG1-CD2 4.33Å; V54-F56 HydrophobicContact CG1-CE2 3.57Å; V54-F56 HydrophobicContact CG1-CZ 3.68Å; F56-E62 WeakPolarHBondContact O-CA 3.31Å; F56-Y63 HydrophobicContact CB-CD1 4.4Å; F56-Y63 HydrophobicContact CB-CE1 3.7Å; F56-Y63 HydrophobicContact CB-CE2 4.22Å; F56-Y63 VanDerWaalsContact O-CD1 3.31Å; F56-Y63 WeakPolarHBondContact O-CD1 3.43Å; F56-Y63 PolarHBondContact O-N 2.92Å; F56-L64 HydrophobicContact CB-CD2 4.43Å; F56-L64 HydrophobicContact CD2-CD2 3.3Å; F56-L64 HydrophobicContact CE2-CD2 3.75Å; F56-L64 HydrophobicContact CG-CD2 4.06Å; F56-L64 PolarHBondContact N-O 3.48Å; F56-F73 HydrophobicContact CE2-CE1 4.15Å; F56-W87 HydrophobicContact CD1-CH2 4.05Å; F56-W87 HydrophobicContact CD1-CZ3 4.29Å; F56-W87 HydrophobicContact CD2-CZ3 4.06Å; F56-W87 AromaticContact CE1-CH2 3.75Å; F56-W87 HydrophobicContact CE1-CH2 3.75Å; F56-W87 AromaticContact CE1-CZ3 3.86Å; F56-W87 HydrophobicContact CE1-CZ3 3.86Å; F56-W87 HydrophobicContact CE2-CH2 4.31Å; F56-W87 AromaticContact CE2-CZ3 3.61Å; F56-W87 HydrophobicContact CE2-CZ3 3.61Å; F56-W87 HydrophobicContact CG-CH2 4.45Å; F56-W87 HydrophobicContact CG-CZ3 4.37Å; F56-W87 AromaticContact CZ-CH2 3.89Å; F56-W87 HydrophobicContact CZ-CH2 3.89Å; F56-W87 AromaticContact CZ-CZ3 3.49Å; F56-W87 HydrophobicContact CZ-CZ3 3.49Å; F56-W87 VanDerWaalsContact CZ-CZ3 3.49Å |
| 57 | I | 98.7 | Very high | 97.9 | Very high | 14 Ų | 14 | 50.1 Ų | 50.1 | 7% | 0.072 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 126.4 | -168.9 | -57.7 | 155.3 | 0 | 0 | 0 | 108.4 | I35 Q36 K38 R55 E61 E62 | I35-I57 WeakPolarHBondContact CA-O 3.43Å; Q36-I57 HydrophobicContact CB-CB 4.21Å; Q36-I57 PolarHBondContact N-O 3.45Å; Q36-I57 PolarHBondContact O-N 2.93Å; K38-I57 HydrophobicContact CD-CD1 4.02Å; K38-I57 HydrophobicContact CG-CD1 4.28Å; R55-I57 HydrophobicContact CB-CD1 4.41Å; R55-I57 HydrophobicContact CB-CG1 4.48Å; I57-E61 CarbonylContact C-O 3.55Å; I57-E61 VanDerWaalsContact CA-O 3.3Å; I57-E61 WeakPolarHBondContact CA-O 3.42Å; I57-E62 HydrophobicContact CG1-CB 3.99Å; I57-E62 HydrophobicContact CG1-CG 4.08Å |
| 58 | F | 98.1 | Very high | 98 | Very high | 72 Ų | 72 | 49.5 Ų | 49.5 | 32% | 0.316 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 120.2 | 171.1 | -177.6 | -109.3 | 0 | 0 | 0 | 108.8 | F33 L60 E61 Y63 L79 | F33-F58 HydrophobicContact CB-CE2 4.43Å; F33-F58 AromaticContact CD1-CZ 3.83Å; F33-F58 HydrophobicContact CD1-CZ 3.83Å; F58-L60 PolarHBondContact O-N 3.1Å; F58-E61 PolarHBondContact N-O 3.34Å; F58-E61 PolarHBondContact O-N 3.41Å; F58-Y63 HydrophobicContact CB-CD1 3.99Å; F58-Y63 HydrophobicContact CB-CE1 4.19Å; F58-L79 HydrophobicContact CB-CD2 4.03Å; F58-L79 HydrophobicContact CD1-CD2 4.16Å; F58-L79 HydrophobicContact CG-CD2 4.31Å |
| 59 | N | 96.5 | Very high | 98.1 | Very high | 57 Ų | 57 | 47.4 Ų | 47.4 | 31% | 0.305 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | -99.5 | -165.6 | -60.6 | -34.1 | 0 | 0 | 0 | 111.4 | V34 Q36 | V34-N59 PolarHBondContact N-OD1 3.3Å; V34-N59 PolarHBondContact O-N 3.01Å; Q36-N59 PolarHBondContact NE2-O 3.46Å |
| 60 | L | 96.8 | Very high | 98.2 | Very high | 169 Ų | 169 | 45.9 Ų | 45.9 | 89% | 0.885 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -117.6 | -0.3 | 176.3 | -60.1 | 177.7 | 0 | 0 | 0 | 112.7 | F58 | F58-L60 PolarHBondContact O-N 3.1Š|
| 61 | E | 98.1 | Very high | 98.1 | Very high | 90 Ų | 90 | 45.7 Ų | 45.7 | 42% | 0.421 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 110.3 | -178.1 | -173.5 | -178.3 | 158.1 | 0 | 0 | 110 | I57 F58 Y63 T77 | I57-E61 CarbonylContact C-O 3.55Å; I57-E61 VanDerWaalsContact CA-O 3.3Å; I57-E61 WeakPolarHBondContact CA-O 3.42Å; F58-E61 PolarHBondContact N-O 3.34Å; F58-E61 PolarHBondContact O-N 3.41Å; E61-Y63 PolarHBondContact O-N 3Å; E61-T77 HydrophobicContact CG-CG2 3.96Å; E61-T77 WeakPolarHBondContact OE1-CB 3.44Å; E61-T77 WeakPolarHBondContact OE1-CG2 3.42Å; E61-T77 PolarHBondContact OE1-OG1 2.83Å |
| 62 | E | 98.3 | Very high | 98.1 | Very high | 42 Ų | 42 | 44.9 Ų | 44.9 | 20% | 0.196 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 108.3 | 166 | -171.1 | -174.1 | 151.5 | 0 | 0 | 108.8 | R55 F56 I57 H65 L76 | R55-E62 HydrophobicContact CB-CG 4.18Å; R55-E62 WeakPolarHBondContact CD-OE2 3.3Å; R55-E62 WeakPolarHBondContact CG-OE1 3.45Å; R55-E62 IonicContact CZ-OE1 3.31Å; R55-E62 IonicContact CZ-OE2 3.83Å; R55-E62 IonicContact NE-OE2 3.47Å; R55-E62 VanDerWaalsContact NH1-CD 3.3Å; R55-E62 IonicContact NH1-OE1 3.4Å; R55-E62 PolarHBondContact NH1-OE1 3.03Å; R55-E62 VanDerWaalsContact NH1-OE1 3.1Å; R55-E62 IonicContact NH1-OE2 3.42Å; R55-E62 PolarHBondContact NH1-OE2 3.46Å; F56-E62 WeakPolarHBondContact O-CA 3.31Å; I57-E62 HydrophobicContact CG1-CB 3.99Å; I57-E62 HydrophobicContact CG1-CG 4.08Å; E62-H65 IonicContact OE1-CG 3.96Å; E62-H65 IonicContact OE1-ND1 2.69Å; E62-H65 PolarHBondContact OE1-ND1 3.27Å; E62-L76 HydrophobicContact CB-CD1 4.19Å; E62-L76 HydrophobicContact CG-CD1 3.75Å; E62-L76 WeakPolarHBondContact O-CB 3.37Å; E62-L76 VanDerWaalsContact OE1-CD1 3.32Å; E62-L76 WeakPolarHBondContact OE1-CD1 3.45Å |
| 63 | Y | 98.4 | Very high | 98.1 | Very high | 17 Ų | 17 | 44.5 Ų | 44.5 | 7% | 0.067 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | -23.7 | -172.3 | 67.7 | -91.7 | 0 | 0 | 0 | 112.9 | F56 F58 E61 L76 T77 L79 | F56-Y63 HydrophobicContact CB-CD1 4.4Å; F56-Y63 HydrophobicContact CB-CE1 3.7Å; F56-Y63 HydrophobicContact CB-CE2 4.22Å; F56-Y63 VanDerWaalsContact O-CD1 3.31Å; F56-Y63 WeakPolarHBondContact O-CD1 3.43Å; F56-Y63 PolarHBondContact O-N 2.92Å; F58-Y63 HydrophobicContact CB-CD1 3.99Å; F58-Y63 HydrophobicContact CB-CE1 4.19Å; E61-Y63 PolarHBondContact O-N 3Å; Y63-L76 PolarHBondContact O-N 3.49Å; Y63-T77 WeakPolarHBondContact CA-OG1 3.39Å; Y63-T77 WeakPolarHBondContact CB-OG1 3.28Å; Y63-T77 PolarHBondContact O-N 3.45Å; Y63-L79 HydrophobicContact CD1-CD2 4.23Å; Y63-L79 HydrophobicContact CD2-CG 4.35Å; Y63-L79 HydrophobicContact CG-CD2 4.06Å; Y63-L79 HydrophobicContact CG-CG 4.24Å |
| 64 | L | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 146.6 | -177 | 176.8 | 150.2 | 0 | 0 | 0 | 111 | F56 F73 V74 D83 A84 W87 | F56-L64 HydrophobicContact CB-CD2 4.43Å; F56-L64 HydrophobicContact CD2-CD2 3.3Å; F56-L64 HydrophobicContact CE2-CD2 3.75Å; F56-L64 HydrophobicContact CG-CD2 4.06Å; F56-L64 PolarHBondContact N-O 3.48Å; L64-F73 HydrophobicContact CD2-CB 4.45Å; L64-F73 HydrophobicContact CD2-CD1 3.72Å; L64-F73 HydrophobicContact CD2-CE1 4.5Å; L64-V74 WeakPolarHBondContact CA-O 3.33Å; L64-D83 HydrophobicContact CD1-CB 3.55Å; L64-A84 HydrophobicContact CD1-CB 3.75Å; L64-A84 VanDerWaalsContact CD1-N 3.28Å; L64-W87 HydrophobicContact CD1-CE3 4.45Å; L64-W87 HydrophobicContact CD2-CE3 3.95Å; L64-W87 HydrophobicContact CD2-CZ3 3.59Å |
| 65 | H | 98.6 | Very high | 98.1 | Very high | 23 Ų | 23 | 47 Ų | 47 | 11% | 0.106 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 157.3 | 166.8 | 63.6 | -115.5 | 0 | 0 | 0 | 113.5 | L53 V54 R55 E62 F73 V74 | L53-H65 HydrophobicContact CD1-CB 4.12Å; V54-H65 CarbonylContact O-C 3.55Å; V54-H65 WeakPolarHBondContact O-CA 3.43Å; V54-H65 WeakPolarHBondContact O-CB 3.17Å; R55-H65 HydrophobicContact CG-CB 4.39Å; E62-H65 IonicContact OE1-CG 3.96Å; E62-H65 IonicContact OE1-ND1 2.69Å; E62-H65 PolarHBondContact OE1-ND1 3.27Å; H65-F73 CarbonylContact O-C 3.49Å; H65-F73 VanDerWaalsContact O-CA 3.26Å; H65-F73 WeakPolarHBondContact O-CA 3.4Å; H65-V74 PolarHBondContact N-O 2.84Å; H65-V74 PolarHBondContact O-N 3.04Å |
| 66 | F | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 126.1 | 160.8 | 176.6 | -92.7 | 0 | 0 | 0 | 109.6 | F52 L53 V54 F73 L94 S97 R98 | F52-F66 HydrophobicContact CD1-CD1 4.1Å; F52-F66 HydrophobicContact CD1-CE1 4.13Å; F52-F66 HydrophobicContact CE1-CD1 4.4Å; L53-F66 CarbonylContact C-O 3.56Å; L53-F66 VanDerWaalsContact CA-O 3.31Å; L53-F66 WeakPolarHBondContact CA-O 3.49Å; L53-F66 WeakPolarHBondContact CD1-O 3.38Å; V54-F66 HydrophobicContact CB-CB 4.3Å; V54-F66 PolarHBondContact N-O 3.28Å; V54-F66 PolarHBondContact O-N 3.43Å; F66-F73 HydrophobicContact CB-CD1 3.59Å; F66-F73 HydrophobicContact CB-CE1 3.57Å; F66-F73 HydrophobicContact CB-CG 4.28Å; F66-F73 HydrophobicContact CB-CZ 4.19Å; F66-F73 HydrophobicContact CD2-CD1 4.27Å; F66-F73 HydrophobicContact CD2-CD2 4.06Å; F66-F73 HydrophobicContact CD2-CE1 4.24Å; F66-F73 AromaticContact CD2-CE2 3.97Å; F66-F73 HydrophobicContact CD2-CE2 3.97Å; F66-F73 HydrophobicContact CD2-CG 4.22Å; F66-F73 HydrophobicContact CD2-CZ 4.09Å; F66-F73 HydrophobicContact CG-CD1 4.42Å; F66-F73 HydrophobicContact CG-CE1 4.28Å; F66-F73 HydrophobicContact CG-CZ 4.44Å; F66-L94 HydrophobicContact CE2-CD2 4.19Å; F66-S97 WeakPolarHBondContact CE1-O 2.98Å; F66-S97 VanDerWaalsContact CZ-CB 3.49Å; F66-R98 HydrophobicContact CE2-CG 4.41Å; F66-R98 HydrophobicContact CZ-CG 3.86Å |
| 67 | D | 98.4 | Very high | 98.1 | Very high | 10 Ų | 10 | 48 Ų | 48 | 5% | 0.053 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 122.7 | 174.5 | -172.4 | -8.1 | 0 | 0 | 0 | 110.4 | R51 L53 D69 L70 G71 L72 | R51-D67 IonicContact CZ-OD1 3.97Å; R51-D67 IonicContact CZ-OD2 3.1Å; R51-D67 IonicContact NE-OD1 3.68Å; R51-D67 PolarHBondContact NE-OD1 3.5Å; R51-D67 IonicContact NE-OD2 2.71Å; R51-D67 PolarHBondContact NE-OD2 3.49Å; R51-D67 IonicContact NH2-OD1 2.7Å; R51-D67 IonicContact NH2-OD2 3.34Å; R51-D67 PolarHBondContact NH2-OD2 3.47Å; L53-D67 HydrophobicContact CD1-CB 3.97Å; D67-D69 PolarHBondContact O-N 3.29Å; D67-D69 PolarHBondContact OD1-N 3.18Å; D67-L70 HydrophobicContact CB-CB 4.33Å; D67-L70 HydrophobicContact CB-CD1 4.19Å; D67-L70 HydrophobicContact CB-CG 4.2Å; D67-L70 CarbonylContact O-C 3.48Å; D67-L70 PolarHBondContact O-N 3.01Å; D67-L70 VanDerWaalsContact O-N 3.11Å; D67-G71 PolarHBondContact O-N 2.81Å; D67-L72 PolarHBondContact N-O 2.93Å |
| 68 | S | 98.2 | Very high | 98 | Very high | 26 Ų | 26 | 55.4 Ų | 55.4 | 18% | 0.182 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -27.8 | 178.9 | 65.5 | 0 | 0 | 0 | 0 | 113.6 | R51 F52 L70 G71 | R51-S68 WeakPolarHBondContact CA-OG 3.32Å; F52-S68 PolarHBondContact N-OG 3.11Å; F52-S68 WeakPolarHBondContact O-CB 3.07Å; F52-S68 PolarHBondContact O-N 3.21Å; F52-S68 PolarHBondContact O-OG 2.87Å; S68-L70 VanDerWaalsContact C-N 3.25Å; S68-L70 PolarHBondContact O-N 3.42Å; S68-G71 PolarHBondContact O-N 2.91Å |
| 69 | D | 97.8 | Very high | 97.9 | Very high | 97 Ų | 97 | 56.2 Ų | 56.2 | 52% | 0.519 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -27.4 | 178.5 | -72 | -3 | 0 | 0 | 0 | 111.2 | R51 D67 | R51-D69 WeakPolarHBondContact CD-OD2 3.47Å; R51-D69 IonicContact NE-OD2 3.89Å; D67-D69 PolarHBondContact O-N 3.29Å; D67-D69 PolarHBondContact OD1-N 3.18Å |
| 70 | L | 97.7 | Very high | 98 | Very high | 102 Ų | 102 | 53.5 Ų | 53.5 | 53% | 0.534 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -27.8 | 173.3 | -58.2 | 178.9 | 0 | 0 | 0 | 112.2 | D67 S68 L72 V74 | D67-L70 HydrophobicContact CB-CB 4.33Å; D67-L70 HydrophobicContact CB-CD1 4.19Å; D67-L70 HydrophobicContact CB-CG 4.2Å; D67-L70 CarbonylContact O-C 3.48Å; D67-L70 PolarHBondContact O-N 3.01Å; D67-L70 VanDerWaalsContact O-N 3.11Å; S68-L70 VanDerWaalsContact C-N 3.25Å; S68-L70 PolarHBondContact O-N 3.42Å; L70-L72 VanDerWaalsContact C-N 3.31Å; L70-L72 HydrophobicContact CB-CG 4.28Å; L70-L72 PolarHBondContact O-N 2.73Å; L70-V74 HydrophobicContact CD1-CG2 3.67Å |
| 71 | G | 97.4 | Very high | 98.1 | Very high | 10 Ų | 10 | 51.3 Ų | 51.3 | 10% | 0.103 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 21.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | D67 S68 R98 | D67-G71 PolarHBondContact O-N 2.81Å; S68-G71 PolarHBondContact O-N 2.91Å; G71-R98 VanDerWaalsContact O-CZ 3.26Å; G71-R98 PolarHBondContact O-NE 2.83Å; G71-R98 PolarHBondContact O-NH2 2.83Å |
| 72 | L | 98.1 | Very high | 98 | Very high | 70 Ų | 70 | 52 Ų | 52 | 37% | 0.366 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 166.1 | -177.7 | 60.4 | 83.9 | 0 | 0 | 0 | 112.2 | D67 L70 V74 N88 L94 | D67-L72 PolarHBondContact N-O 2.93Å; L70-L72 VanDerWaalsContact C-N 3.31Å; L70-L72 HydrophobicContact CB-CG 4.28Å; L70-L72 PolarHBondContact O-N 2.73Å; L72-V74 HydrophobicContact CD1-CG2 3.56Å; L72-N88 WeakPolarHBondContact CB-OD1 3.42Å; L72-L94 HydrophobicContact CB-CD2 4.31Å |
| 73 | F | 98.4 | Very high | 98 | Very high | 7 Ų | 7 | 52.1 Ų | 52.1 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 132.7 | 174.3 | -63.7 | -89.5 | 0 | 0 | 0 | 110.6 | F56 L64 H65 F66 W87 N88 L93 L94 | F56-F73 HydrophobicContact CE2-CE1 4.15Å; L64-F73 HydrophobicContact CD2-CB 4.45Å; L64-F73 HydrophobicContact CD2-CD1 3.72Å; L64-F73 HydrophobicContact CD2-CE1 4.5Å; H65-F73 CarbonylContact O-C 3.49Å; H65-F73 VanDerWaalsContact O-CA 3.26Å; H65-F73 WeakPolarHBondContact O-CA 3.4Å; F66-F73 HydrophobicContact CB-CD1 3.59Å; F66-F73 HydrophobicContact CB-CE1 3.57Å; F66-F73 HydrophobicContact CB-CG 4.28Å; F66-F73 HydrophobicContact CB-CZ 4.19Å; F66-F73 HydrophobicContact CD2-CD1 4.27Å; F66-F73 HydrophobicContact CD2-CD2 4.06Å; F66-F73 HydrophobicContact CD2-CE1 4.24Å; F66-F73 AromaticContact CD2-CE2 3.97Å; F66-F73 HydrophobicContact CD2-CE2 3.97Å; F66-F73 HydrophobicContact CD2-CG 4.22Å; F66-F73 HydrophobicContact CD2-CZ 4.09Å; F66-F73 HydrophobicContact CG-CD1 4.42Å; F66-F73 HydrophobicContact CG-CE1 4.28Å; F66-F73 HydrophobicContact CG-CZ 4.44Å; F73-W87 AromaticContact CD1-CE3 3.57Å; F73-W87 HydrophobicContact CD1-CE3 3.57Å; F73-W87 HydrophobicContact CD1-CZ3 4.13Å; F73-W87 HydrophobicContact CD2-CB 3.8Å; F73-W87 AromaticContact CE1-CE3 3.44Å; F73-W87 HydrophobicContact CE1-CE3 3.44Å; F73-W87 VanDerWaalsContact CE1-CE3 3.44Å; F73-W87 AromaticContact CE1-CZ3 3.88Å; F73-W87 HydrophobicContact CE1-CZ3 3.88Å; F73-W87 HydrophobicContact CE2-CB 4.03Å; F73-W87 HydrophobicContact CE2-CE3 4.46Å; F73-W87 HydrophobicContact CG-CB 4.17Å; F73-W87 HydrophobicContact CG-CE3 4.11Å; F73-W87 AromaticContact CZ-CE3 3.93Å; F73-W87 HydrophobicContact CZ-CE3 3.93Å; F73-N88 PolarHBondContact N-OD1 3.5Å; F73-N88 PolarHBondContact O-ND2 2.69Å; F73-L93 HydrophobicContact CE2-CD2 3.88Å; F73-L93 HydrophobicContact CE2-CG 3.86Å; F73-L93 HydrophobicContact CZ-CD1 4.36Å; F73-L93 HydrophobicContact CZ-CD2 3.88Å; F73-L93 HydrophobicContact CZ-CG 3.86Å; F73-L94 HydrophobicContact CD2-CD2 3.82Å; F73-L94 HydrophobicContact CE2-CD2 3.96Å |
| 74 | V | 98.4 | Very high | 98 | Very high | 42 Ų | 42 | 51.6 Ų | 51.6 | 26% | 0.255 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 124.4 | -179.5 | -175.7 | 0 | 0 | 0 | 0 | 108.3 | L64 H65 L70 L72 | L64-V74 WeakPolarHBondContact CA-O 3.33Å; H65-V74 PolarHBondContact N-O 2.84Å; H65-V74 PolarHBondContact O-N 3.04Å; L70-V74 HydrophobicContact CD1-CG2 3.67Å; L72-V74 HydrophobicContact CD1-CG2 3.56Å |
| 75 | A | 98.3 | Very high | 97.9 | Very high | 33 Ų | 33 | 55.8 Ų | 55.8 | 27% | 0.273 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 132.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | G80 E81 A84 | A75-G80 VanDerWaalsContact CB-C 3.48Å; A75-E81 HydrophobicContact CB-CG 4.18Å; A75-A84 HydrophobicContact CB-CB 3.9Å |
| 76 | L | 98 | Very high | 97.9 | Very high | 88 Ų | 88 | 59.9 Ų | 59.9 | 46% | 0.461 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -98.3 | -26.3 | 173.7 | -69.3 | -174.7 | 0 | 0 | 0 | 112.2 | E62 Y63 | E62-L76 HydrophobicContact CB-CD1 4.19Å; E62-L76 HydrophobicContact CG-CD1 3.75Å; E62-L76 WeakPolarHBondContact O-CB 3.37Å; E62-L76 VanDerWaalsContact OE1-CD1 3.32Å; E62-L76 WeakPolarHBondContact OE1-CD1 3.45Å; Y63-L76 PolarHBondContact O-N 3.49Å |
| 77 | T | 98 | Very high | 97.9 | Very high | 40 Ų | 40 | 62.2 Ų | 62.2 | 25% | 0.245 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -137.5 | 166.9 | 179.6 | 74.2 | 0 | 0 | 0 | 0 | 110.4 | E61 Y63 L79 G80 | E61-T77 HydrophobicContact CG-CG2 3.96Å; E61-T77 WeakPolarHBondContact OE1-CB 3.44Å; E61-T77 WeakPolarHBondContact OE1-CG2 3.42Å; E61-T77 PolarHBondContact OE1-OG1 2.83Å; Y63-T77 WeakPolarHBondContact CA-OG1 3.39Å; Y63-T77 WeakPolarHBondContact CB-OG1 3.28Å; Y63-T77 PolarHBondContact O-N 3.45Å; T77-L79 PolarHBondContact O-N 2.82Å; T77-L79 VanDerWaalsContact O-N 3.15Å; T77-G80 PolarHBondContact O-N 2.88Å |
| 78 | E | 97.4 | Very high | 97.9 | Very high | 168 Ų | 168 | 64 Ų | 64 | 79% | 0.785 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -55.4 | -33 | -179.2 | -65.1 | -177.4 | 178 | 0 | 0 | 112.2 | G80 E81 | E78-G80 PolarHBondContact O-N 2.71Å; E78-E81 PolarHBondContact O-N 2.84Å |
| 79 | L | 97.2 | Very high | 97.9 | Very high | 90 Ų | 90 | 69.4 Ų | 69.4 | 47% | 0.471 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59 | -32.8 | 177.4 | -177.5 | 63.6 | 0 | 0 | 0 | 112.3 | F58 Y63 T77 | F58-L79 HydrophobicContact CB-CD2 4.03Å; F58-L79 HydrophobicContact CD1-CD2 4.16Å; F58-L79 HydrophobicContact CG-CD2 4.31Å; Y63-L79 HydrophobicContact CD1-CD2 4.23Å; Y63-L79 HydrophobicContact CD2-CG 4.35Å; Y63-L79 HydrophobicContact CG-CD2 4.06Å; Y63-L79 HydrophobicContact CG-CG 4.24Å; T77-L79 PolarHBondContact O-N 2.82Å; T77-L79 VanDerWaalsContact O-N 3.15Å |
| 80 | G | 98 | Very high | 97.9 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -89.6 | -8.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116 | A75 T77 E78 V82 D83 A84 | A75-G80 VanDerWaalsContact CB-C 3.48Å; T77-G80 PolarHBondContact O-N 2.88Å; E78-G80 PolarHBondContact O-N 2.71Å; G80-V82 VanDerWaalsContact C-N 3.34Å; G80-V82 PolarHBondContact O-N 2.81Å; G80-D83 PolarHBondContact O-N 3.37Å; G80-A84 WeakPolarHBondContact O-CB 3.41Å; G80-A84 PolarHBondContact O-N 3.47Å |
| 81 | E | 98.1 | Very high | 97.8 | Very high | 123 Ų | 123 | 70.7 Ų | 70.7 | 58% | 0.575 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -60.8 | -43.9 | -174.3 | -70.5 | -173.1 | 173.4 | 0 | 0 | 112.4 | A75 E78 A84 D85 | A75-E81 HydrophobicContact CB-CG 4.18Å; E78-E81 PolarHBondContact O-N 2.84Å; E81-A84 PolarHBondContact O-N 3.31Å; E81-D85 WeakPolarHBondContact O-CB 3.42Å; E81-D85 PolarHBondContact O-N 3.02Å |
| 82 | V | 97.4 | Very high | 97.7 | Very high | 105 Ų | 105 | 74.3 Ų | 74.3 | 64% | 0.636 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64 | -46.8 | -179.7 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | G80 Q86 | G80-V82 VanDerWaalsContact C-N 3.34Å; G80-V82 PolarHBondContact O-N 2.81Å; V82-Q86 VanDerWaalsContact O-CB 3.31Å; V82-Q86 WeakPolarHBondContact O-CB 3.33Å; V82-Q86 PolarHBondContact O-N 3.15Å |
| 83 | D | 97.6 | Very high | 97.7 | Very high | 43 Ų | 43 | 72.9 Ų | 72.9 | 23% | 0.23 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66 | -43.4 | 179.5 | -77.3 | -22.6 | 0 | 0 | 0 | 111.3 | L64 G80 D85 Q86 W87 | L64-D83 HydrophobicContact CD1-CB 3.55Å; G80-D83 PolarHBondContact O-N 3.37Å; D83-D85 PolarHBondContact O-N 2.84Å; D83-Q86 PolarHBondContact O-N 2.83Å; D83-W87 HydrophobicContact CB-CD2 4.48Å; D83-W87 HydrophobicContact CB-CZ2 4.37Å; D83-W87 WeakPolarHBondContact O-CB 3.26Å; D83-W87 VanDerWaalsContact O-CD1 3.3Å; D83-W87 PolarHBondContact O-N 3.47Å |
| 84 | A | 97.9 | Very high | 97.6 | Very high | 7 Ų | 7 | 73 Ų | 73 | 6% | 0.058 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.3 | -46.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L64 A75 G80 E81 N88 | L64-A84 HydrophobicContact CD1-CB 3.75Å; L64-A84 VanDerWaalsContact CD1-N 3.28Å; A75-A84 HydrophobicContact CB-CB 3.9Å; G80-A84 WeakPolarHBondContact O-CB 3.41Å; G80-A84 PolarHBondContact O-N 3.47Å; E81-A84 PolarHBondContact O-N 3.31Å; A84-N88 WeakPolarHBondContact O-CB 3.35Å; A84-N88 PolarHBondContact O-N 2.94Å; A84-N88 PolarHBondContact O-ND2 3.04Å |
| 85 | D | 97.4 | Very high | 97.5 | Very high | 88 Ų | 88 | 76.9 Ų | 76.9 | 47% | 0.471 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 176.4 | 177.5 | 65.6 | 0 | 0 | 0 | 111.5 | E81 D83 K89 | E81-D85 WeakPolarHBondContact O-CB 3.42Å; E81-D85 PolarHBondContact O-N 3.02Å; D83-D85 PolarHBondContact O-N 2.84Å; D85-K89 WeakPolarHBondContact O-CD 3.31Å; D85-K89 WeakPolarHBondContact O-CG 3Å; D85-K89 PolarHBondContact O-N 3.44Å; D85-K89 WeakPolarHBondContact OD1-CE 3.37Å; D85-K89 IonicContact OD1-NZ 2.62Å; D85-K89 PolarHBondContact OD1-NZ 3.17Å; D85-K89 IonicContact OD2-NZ 3.73Å; D85-K89 PolarHBondContact OD2-NZ 2.95Å |
| 86 | Q | 97.7 | Very high | 97.5 | Very high | 109 Ų | 109 | 79.4 Ų | 79.4 | 51% | 0.509 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.2 | -45.4 | -179.7 | -174 | 178.1 | 3.5 | 0 | 0 | 112.2 | V82 D83 K89 R90 | V82-Q86 VanDerWaalsContact O-CB 3.31Å; V82-Q86 WeakPolarHBondContact O-CB 3.33Å; V82-Q86 PolarHBondContact O-N 3.15Å; D83-Q86 PolarHBondContact O-N 2.83Å; Q86-K89 PolarHBondContact O-N 3.32Å; Q86-R90 PolarHBondContact O-N 3.37Å |
| 87 | W | 98.1 | Very high | 97.4 | Very high | 48 Ų | 48 | 76 Ų | 76 | 18% | 0.182 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -74.7 | -31.9 | -174.4 | -67.2 | 10.8 | 0 | 0 | 0 | 111.8 | F56 L64 F73 D83 K89 R90 L93 | F56-W87 HydrophobicContact CD1-CH2 4.05Å; F56-W87 HydrophobicContact CD1-CZ3 4.29Å; F56-W87 HydrophobicContact CD2-CZ3 4.06Å; F56-W87 AromaticContact CE1-CH2 3.75Å; F56-W87 HydrophobicContact CE1-CH2 3.75Å; F56-W87 AromaticContact CE1-CZ3 3.86Å; F56-W87 HydrophobicContact CE1-CZ3 3.86Å; F56-W87 HydrophobicContact CE2-CH2 4.31Å; F56-W87 AromaticContact CE2-CZ3 3.61Å; F56-W87 HydrophobicContact CE2-CZ3 3.61Å; F56-W87 HydrophobicContact CG-CH2 4.45Å; F56-W87 HydrophobicContact CG-CZ3 4.37Å; F56-W87 AromaticContact CZ-CH2 3.89Å; F56-W87 HydrophobicContact CZ-CH2 3.89Å; F56-W87 AromaticContact CZ-CZ3 3.49Å; F56-W87 HydrophobicContact CZ-CZ3 3.49Å; F56-W87 VanDerWaalsContact CZ-CZ3 3.49Å; L64-W87 HydrophobicContact CD1-CE3 4.45Å; L64-W87 HydrophobicContact CD2-CE3 3.95Å; L64-W87 HydrophobicContact CD2-CZ3 3.59Å; F73-W87 AromaticContact CD1-CE3 3.57Å; F73-W87 HydrophobicContact CD1-CE3 3.57Å; F73-W87 HydrophobicContact CD1-CZ3 4.13Å; F73-W87 HydrophobicContact CD2-CB 3.8Å; F73-W87 AromaticContact CE1-CE3 3.44Å; F73-W87 HydrophobicContact CE1-CE3 3.44Å; F73-W87 VanDerWaalsContact CE1-CE3 3.44Å; F73-W87 AromaticContact CE1-CZ3 3.88Å; F73-W87 HydrophobicContact CE1-CZ3 3.88Å; F73-W87 HydrophobicContact CE2-CB 4.03Å; F73-W87 HydrophobicContact CE2-CE3 4.46Å; F73-W87 HydrophobicContact CG-CB 4.17Å; F73-W87 HydrophobicContact CG-CE3 4.11Å; F73-W87 AromaticContact CZ-CE3 3.93Å; F73-W87 HydrophobicContact CZ-CE3 3.93Å; D83-W87 HydrophobicContact CB-CD2 4.48Å; D83-W87 HydrophobicContact CB-CZ2 4.37Å; D83-W87 WeakPolarHBondContact O-CB 3.26Å; D83-W87 VanDerWaalsContact O-CD1 3.3Å; D83-W87 PolarHBondContact O-N 3.47Å; W87-K89 PolarHBondContact O-N 3.4Å; W87-R90 WeakPolarHBondContact O-CB 3.21Å; W87-R90 PolarHBondContact O-N 2.91Å; W87-R90 VanDerWaalsContact O-N 3.13Å; W87-L93 HydrophobicContact CB-CD2 3.75Å; W87-L93 HydrophobicContact CD2-CD2 4.1Å; W87-L93 HydrophobicContact CE3-CD2 4.45Å; W87-L93 HydrophobicContact CG-CD2 3.79Å |
| 88 | N | 98.3 | Very high | 97.4 | Very high | 47 Ų | 47 | 79.6 Ų | 79.6 | 25% | 0.251 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -69.5 | -20.8 | 172.7 | -74 | -33.1 | 0 | 0 | 0 | 113.6 | L72 F73 A84 R90 L94 | L72-N88 WeakPolarHBondContact CB-OD1 3.42Å; F73-N88 PolarHBondContact N-OD1 3.5Å; F73-N88 PolarHBondContact O-ND2 2.69Å; A84-N88 WeakPolarHBondContact O-CB 3.35Å; A84-N88 PolarHBondContact O-N 2.94Å; A84-N88 PolarHBondContact O-ND2 3.04Å; N88-R90 VanDerWaalsContact C-N 3.32Å; N88-L94 WeakPolarHBondContact O-CD1 3.44Å |
| 89 | K | 97.9 | Very high | 97.4 | Very high | 141 Ų | 141 | 73.2 Ų | 73.2 | 61% | 0.613 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -14.7 | 172.2 | -70.6 | 167.3 | -174.5 | 166.3 | 0 | 112.8 | D85 Q86 W87 L91 | D85-K89 WeakPolarHBondContact O-CD 3.31Å; D85-K89 WeakPolarHBondContact O-CG 3Å; D85-K89 PolarHBondContact O-N 3.44Å; D85-K89 WeakPolarHBondContact OD1-CE 3.37Å; D85-K89 IonicContact OD1-NZ 2.62Å; D85-K89 PolarHBondContact OD1-NZ 3.17Å; D85-K89 IonicContact OD2-NZ 3.73Å; D85-K89 PolarHBondContact OD2-NZ 2.95Å; Q86-K89 PolarHBondContact O-N 3.32Å; W87-K89 PolarHBondContact O-N 3.4Å; K89-L91 PolarHBondContact O-N 2.86Å |
| 90 | R | 97.8 | Very high | 97.5 | Very high | 109 Ų | 109 | 69.3 Ų | 69.3 | 41% | 0.411 | 35% | 0.346 | S | S | . | . | trans | -88.8 | 95.3 | 176.8 | -77.5 | -168.2 | 57.6 | -160.6 | -5.2 | 111.2 | Q86 W87 N88 D92 L93 L94 | Q86-R90 PolarHBondContact O-N 3.37Å; W87-R90 WeakPolarHBondContact O-CB 3.21Å; W87-R90 PolarHBondContact O-N 2.91Å; W87-R90 VanDerWaalsContact O-N 3.13Å; N88-R90 VanDerWaalsContact C-N 3.32Å; R90-D92 VanDerWaalsContact C-N 3.31Å; R90-D92 WeakPolarHBondContact CB-OD1 3.37Å; R90-D92 IonicContact CZ-OD1 3.67Å; R90-D92 IonicContact CZ-OD2 2.72Å; R90-D92 IonicContact NE-OD1 2.82Å; R90-D92 PolarHBondContact NE-OD1 2.84Å; R90-D92 IonicContact NE-OD2 3.93Å; R90-D92 IonicContact NH2-OD1 3.32Å; R90-D92 IonicContact NH2-OD2 3.72Å; R90-D92 PolarHBondContact NH2-OD2 3.36Å; R90-D92 PolarHBondContact O-N 3.15Å; R90-L93 HydrophobicContact CB-CB 3.92Å; R90-L93 PolarHBondContact O-N 3.38Å; R90-L94 PolarHBondContact O-N 2.93Å | ||
| 91 | L | 96 | Very high | 97.5 | Very high | 117 Ų | 117 | 70.2 Ų | 70.2 | 61% | 0.613 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -60 | -39.5 | -178.9 | -65.6 | 177.1 | 0 | 0 | 0 | 112.8 | K89 L93 L94 E95 | K89-L91 PolarHBondContact O-N 2.86Å; L91-L93 VanDerWaalsContact C-N 3.31Å; L91-L93 PolarHBondContact O-N 3.21Å; L91-L94 PolarHBondContact O-N 3.02Å; L91-E95 WeakPolarHBondContact O-CB 3.38Å; L91-E95 WeakPolarHBondContact O-CG 3.39Å; L91-E95 PolarHBondContact O-N 3.02Å |
| 92 | D | 96.8 | Very high | 97.4 | Very high | 86 Ų | 86 | 69.1 Ų | 69.1 | 46% | 0.46 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.5 | -42.7 | 177.5 | 63.8 | -44.8 | 0 | 0 | 0 | 112.2 | R90 T96 | R90-D92 VanDerWaalsContact C-N 3.31Å; R90-D92 WeakPolarHBondContact CB-OD1 3.37Å; R90-D92 IonicContact CZ-OD1 3.67Å; R90-D92 IonicContact CZ-OD2 2.72Å; R90-D92 IonicContact NE-OD1 2.82Å; R90-D92 PolarHBondContact NE-OD1 2.84Å; R90-D92 IonicContact NE-OD2 3.93Å; R90-D92 IonicContact NH2-OD1 3.32Å; R90-D92 IonicContact NH2-OD2 3.72Å; R90-D92 PolarHBondContact NH2-OD2 3.36Å; R90-D92 PolarHBondContact O-N 3.15Å; D92-T96 WeakPolarHBondContact O-CB 3.5Å; D92-T96 PolarHBondContact O-N 2.95Å; D92-T96 VanDerWaalsContact O-N 3.13Å; D92-T96 PolarHBondContact O-OG1 2.8Å |
| 93 | L | 96.4 | Very high | 97.3 | Very high | 40 Ų | 40 | 69 Ų | 69 | 21% | 0.209 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -70.4 | -45.8 | 178.3 | -178.6 | 61.8 | 0 | 0 | 0 | 111.3 | F73 W87 R90 L91 T96 S97 | F73-L93 HydrophobicContact CE2-CD2 3.88Å; F73-L93 HydrophobicContact CE2-CG 3.86Å; F73-L93 HydrophobicContact CZ-CD1 4.36Å; F73-L93 HydrophobicContact CZ-CD2 3.88Å; F73-L93 HydrophobicContact CZ-CG 3.86Å; W87-L93 HydrophobicContact CB-CD2 3.75Å; W87-L93 HydrophobicContact CD2-CD2 4.1Å; W87-L93 HydrophobicContact CE3-CD2 4.45Å; W87-L93 HydrophobicContact CG-CD2 3.79Å; R90-L93 HydrophobicContact CB-CB 3.92Å; R90-L93 PolarHBondContact O-N 3.38Å; L91-L93 VanDerWaalsContact C-N 3.31Å; L91-L93 PolarHBondContact O-N 3.21Å; L93-T96 PolarHBondContact O-N 3.32Å; L93-S97 WeakPolarHBondContact O-CB 3.49Å; L93-S97 PolarHBondContact O-N 2.98Å; L93-S97 PolarHBondContact O-OG 3.46Å; L93-S97 VanDerWaalsContact O-OG 3.13Å |
| 94 | L | 96.6 | Very high | 97.3 | Very high | 8 Ų | 8 | 70.1 Ų | 70.1 | 4% | 0.042 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61 | -45.7 | 177.9 | -80.5 | 178.9 | 0 | 0 | 0 | 112.5 | F66 L72 F73 N88 R90 L91 T96 S97 R98 | F66-L94 HydrophobicContact CE2-CD2 4.19Å; L72-L94 HydrophobicContact CB-CD2 4.31Å; F73-L94 HydrophobicContact CD2-CD2 3.82Å; F73-L94 HydrophobicContact CE2-CD2 3.96Å; N88-L94 WeakPolarHBondContact O-CD1 3.44Å; R90-L94 PolarHBondContact O-N 2.93Å; L91-L94 PolarHBondContact O-N 3.02Å; L94-T96 VanDerWaalsContact C-N 3.35Å; L94-S97 PolarHBondContact O-N 2.92Å; L94-R98 WeakPolarHBondContact O-CB 3.27Å; L94-R98 WeakPolarHBondContact O-CD 3.29Å; L94-R98 WeakPolarHBondContact O-CG 3.3Å; L94-R98 PolarHBondContact O-N 2.87Å |
| 95 | E | 97.1 | Very high | 97.3 | Very high | 124 Ų | 124 | 69.8 Ų | 69.8 | 58% | 0.579 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.3 | -44.2 | 178.1 | -74.2 | 179.4 | 179.8 | 0 | 0 | 111.2 | L91 R98 A99 | L91-E95 WeakPolarHBondContact O-CB 3.38Å; L91-E95 WeakPolarHBondContact O-CG 3.39Å; L91-E95 PolarHBondContact O-N 3.02Å; E95-R98 PolarHBondContact O-N 3.23Å; E95-A99 VanDerWaalsContact O-CB 3.27Å; E95-A99 WeakPolarHBondContact O-CB 3.44Å; E95-A99 PolarHBondContact O-N 2.95Å |
| 96 | T | 96.9 | Very high | 97.3 | Very high | 87 Ų | 87 | 68.5 Ų | 68.5 | 53% | 0.534 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 176.6 | -57 | 0 | 0 | 0 | 0 | 111.6 | D92 L93 L94 R98 A99 A100 | D92-T96 WeakPolarHBondContact O-CB 3.5Å; D92-T96 PolarHBondContact O-N 2.95Å; D92-T96 VanDerWaalsContact O-N 3.13Å; D92-T96 PolarHBondContact O-OG1 2.8Å; L93-T96 PolarHBondContact O-N 3.32Å; L94-T96 VanDerWaalsContact C-N 3.35Å; T96-R98 PolarHBondContact O-N 2.85Å; T96-A99 PolarHBondContact O-N 2.8Å; T96-A100 PolarHBondContact O-N 3.05Å |
| 97 | S | 97.1 | Very high | 97.3 | Very high | 16 Ų | 16 | 68.2 Ų | 68.2 | 11% | 0.112 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.1 | -39.4 | 178.2 | -66.1 | 0 | 0 | 0 | 0 | 112.7 | F66 L93 L94 A100 | F66-S97 WeakPolarHBondContact CE1-O 2.98Å; F66-S97 VanDerWaalsContact CZ-CB 3.49Å; L93-S97 WeakPolarHBondContact O-CB 3.49Å; L93-S97 PolarHBondContact O-N 2.98Å; L93-S97 PolarHBondContact O-OG 3.46Å; L93-S97 VanDerWaalsContact O-OG 3.13Å; L94-S97 PolarHBondContact O-N 2.92Å; S97-A100 VanDerWaalsContact O-CB 3.31Å; S97-A100 WeakPolarHBondContact O-CB 3.38Å; S97-A100 PolarHBondContact O-N 2.95Å |
| 98 | R | 97.8 | Very high | 97.2 | Very high | 116 Ų | 116 | 71.1 Ų | 71.1 | 44% | 0.438 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.5 | -41.7 | 174.1 | -71.3 | 166.9 | -173.4 | 162.7 | 2.1 | 111.5 | F66 G71 L94 E95 T96 A100 | F66-R98 HydrophobicContact CE2-CG 4.41Å; F66-R98 HydrophobicContact CZ-CG 3.86Å; G71-R98 VanDerWaalsContact O-CZ 3.26Å; G71-R98 PolarHBondContact O-NE 2.83Å; G71-R98 PolarHBondContact O-NH2 2.83Å; L94-R98 WeakPolarHBondContact O-CB 3.27Å; L94-R98 WeakPolarHBondContact O-CD 3.29Å; L94-R98 WeakPolarHBondContact O-CG 3.3Å; L94-R98 PolarHBondContact O-N 2.87Å; E95-R98 PolarHBondContact O-N 3.23Å; T96-R98 PolarHBondContact O-N 2.85Å; R98-A100 PolarHBondContact O-N 2.9Å |
| 99 | A | 97.8 | Very high | 97.2 | Very high | 33 Ų | 33 | 71.5 Ų | 71.5 | 27% | 0.273 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -71.1 | -18.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | E95 T96 V101 N102 M103 | E95-A99 VanDerWaalsContact O-CB 3.27Å; E95-A99 WeakPolarHBondContact O-CB 3.44Å; E95-A99 PolarHBondContact O-N 2.95Å; T96-A99 PolarHBondContact O-N 2.8Å; A99-V101 PolarHBondContact O-N 3.27Å; A99-N102 PolarHBondContact O-N 3.06Å; A99-M103 HydrophobicContact CB-CE 3.31Å; A99-M103 HydrophobicContact CB-SD 4.27Å; A99-M103 PolarHBondContact O-N 3.09Å |
| 100 | A | 97.9 | Very high | 97.1 | Very high | 9 Ų | 9 | 71.8 Ų | 71.8 | 7% | 0.074 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.6 | -25.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | F52 T96 S97 R98 N102 V104 C105 | F52-A100 HydrophobicContact CD1-CB 3.64Å; F52-A100 HydrophobicContact CE1-CB 3.35Å; F52-A100 HydrophobicContact CE2-CB 4.39Å; F52-A100 HydrophobicContact CG-CB 4.26Å; F52-A100 HydrophobicContact CZ-CB 3.76Å; T96-A100 PolarHBondContact O-N 3.05Å; S97-A100 VanDerWaalsContact O-CB 3.31Å; S97-A100 WeakPolarHBondContact O-CB 3.38Å; S97-A100 PolarHBondContact O-N 2.95Å; R98-A100 PolarHBondContact O-N 2.9Å; A100-N102 PolarHBondContact O-N 3.24Å; A100-V104 HydrophobicContact CB-CB 4.5Å; A100-V104 HydrophobicContact CB-CG2 4.16Å; A100-V104 WeakPolarHBondContact O-CA 3.48Å; A100-V104 VanDerWaalsContact O-CB 3.31Å; A100-V104 WeakPolarHBondContact O-CB 3.47Å; A100-V104 PolarHBondContact O-N 3.46Å; A100-C105 PolarHBondContact O-N 2.92Å |
| 101 | V | 98.2 | Very high | 97.1 | Very high | 19 Ų | 19 | 71.5 Ų | 71.5 | 12% | 0.115 | 36% | 0.357 | C | S | . | . | I | π-helix | trans | -53.3 | -42.7 | 171 | 176 | 0 | 0 | 0 | 0 | 111 | V50 F52 A99 C105 R106 | V50-V101 HydrophobicContact CB-CG1 3.97Å; V50-V101 HydrophobicContact CG1-CG1 3.97Å; F52-V101 HydrophobicContact CB-CG2 3.69Å; A99-V101 PolarHBondContact O-N 3.27Å; V101-C105 WeakPolarHBondContact O-CB 3.15Å; V101-R106 WeakPolarHBondContact O-CG 3.48Å; V101-R106 PolarHBondContact O-N 3.44Å; V101-R106 VanDerWaalsContact O-N 3.1Å |
| 102 | N | 97.6 | Very high | 97.1 | Very high | 99 Ų | 99 | 66.3 Ų | 66.3 | 53% | 0.529 | 33% | 0.332 | S | S | . | . | I | π-helix | trans | -91 | -47.5 | -178.2 | -66.4 | -34.5 | 0 | 0 | 0 | 112.1 | A99 A100 R106 Q107 | A99-N102 PolarHBondContact O-N 3.06Å; A100-N102 PolarHBondContact O-N 3.24Å; N102-R106 WeakPolarHBondContact OD1-CD 3.37Å; N102-R106 PolarHBondContact OD1-NE 3.17Å; N102-Q107 PolarHBondContact O-N 3.27Å |
| 103 | M | 95.5 | Very high | 97.1 | Very high | 104 Ų | 104 | 62.8 Ų | 62.8 | 51% | 0.512 | 32% | 0.315 | S | S | . | . | I | π-helix | trans | -74.7 | -27.3 | -172.6 | -62.5 | -170.5 | -59.2 | 0 | 0 | 113.1 | A99 Q107 | A99-M103 HydrophobicContact CB-CE 3.31Å; A99-M103 HydrophobicContact CB-SD 4.27Å; A99-M103 PolarHBondContact O-N 3.09Å; M103-Q107 WeakPolarHBondContact O-CB 3.3Å; M103-Q107 PolarHBondContact O-OE1 2.87Å; M103-Q107 VanDerWaalsContact O-OE1 3.13Å |
| 104 | V | 96.3 | Very high | 97.1 | Very high | 66 Ų | 66 | 64.7 Ų | 64.7 | 40% | 0.4 | 33% | 0.33 | S | S | . | . | I | π-helix | trans | -108.5 | -70.5 | 178.2 | -175.9 | 0 | 0 | 0 | 0 | 109 | A100 R106 Q107 E108 | A100-V104 HydrophobicContact CB-CB 4.5Å; A100-V104 HydrophobicContact CB-CG2 4.16Å; A100-V104 WeakPolarHBondContact O-CA 3.48Å; A100-V104 VanDerWaalsContact O-CB 3.31Å; A100-V104 WeakPolarHBondContact O-CB 3.47Å; A100-V104 PolarHBondContact O-N 3.46Å; V104-R106 PolarHBondContact O-N 2.93Å; V104-Q107 PolarHBondContact O-N 2.9Å; V104-E108 HydrophobicContact CG1-CG 4.31Å; V104-E108 WeakPolarHBondContact O-CB 3.34Å; V104-E108 VanDerWaalsContact O-CG 3.31Å; V104-E108 WeakPolarHBondContact O-CG 3.48Å; V104-E108 PolarHBondContact O-N 2.02Å |
| 105 | C | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 36% | 0.356 | C | S | . | . | I | π-helix | trans | -59.1 | -54.2 | -167.5 | -59.9 | 0 | 0 | 0 | 0 | 113.4 | C41 F43 V50 F52 A100 V101 Q107 Y109 | C41-C105 HydrophobicContact CB-CB 3.57Å; C41-C105 WeakPolarHBondContact CB-SG 3.47Å; C41-C105 WeakPolarHBondContact SG-CA 3.33Å; C41-C105 WeakPolarHBondContact SG-CB 3.29Å; C41-C105 CovalentContact SG-SG 2.03Å; C41-C105 PolarHBondContact SG-SG 3.13Å; F43-C105 HydrophobicContact CE1-CB 4.01Å; F43-C105 WeakPolarHBondContact CE1-O 3.46Å; F43-C105 HydrophobicContact CZ-CB 3.92Å; F43-C105 VanDerWaalsContact CZ-O 3.29Å; F43-C105 WeakPolarHBondContact CZ-O 3.49Å; V50-C105 HydrophobicContact CG1-CB 3.57Å; F52-C105 WeakPolarHBondContact CD2-SG 3.4Å; A100-C105 PolarHBondContact O-N 2.92Å; V101-C105 WeakPolarHBondContact O-CB 3.15Å; C105-Q107 VanDerWaalsContact C-N 3.34Å; C105-Q107 PolarHBondContact O-N 2.92Å; C105-Y109 VanDerWaalsContact O-CB 3.3Å; C105-Y109 WeakPolarHBondContact O-CB 3.38Å; C105-Y109 PolarHBondContact O-N 2.88Å |
| 106 | R | 98.2 | Very high | 97.1 | Very high | 61 Ų | 61 | 66.5 Ų | 66.5 | 23% | 0.23 | 34% | 0.339 | C | S | . | . | I | π-helix | trans | -67.5 | -35.4 | -179.1 | -69.4 | 175.7 | -172.6 | -88.2 | -12.9 | 112.7 | T47 E48 V50 V101 N102 V104 K110 | T47-R106 PolarHBondContact O-NH1 2.87Å; T47-R106 PolarHBondContact O-NH2 2.88Å; T47-R106 VanDerWaalsContact O-NH2 3.11Å; E48-R106 PolarHBondContact O-NH2 2.71Å; V50-R106 HydrophobicContact CG2-CG 4.06Å; V101-R106 WeakPolarHBondContact O-CG 3.48Å; V101-R106 PolarHBondContact O-N 3.44Å; V101-R106 VanDerWaalsContact O-N 3.1Å; N102-R106 WeakPolarHBondContact OD1-CD 3.37Å; N102-R106 PolarHBondContact OD1-NE 3.17Å; V104-R106 PolarHBondContact O-N 2.93Å; R106-K110 VanDerWaalsContact O-CG 3.28Å; R106-K110 WeakPolarHBondContact O-CG 3.33Å; R106-K110 PolarHBondContact O-N 2.85Å |
| 107 | Q | 96.6 | Very high | 97 | Very high | 102 Ų | 102 | 66 Ų | 66 | 48% | 0.477 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.3 | -50.8 | 179.1 | -178.2 | 169.3 | -26.1 | 0 | 0 | 110.7 | N102 M103 V104 C105 Y109 K110 L111 | N102-Q107 PolarHBondContact O-N 3.27Å; M103-Q107 WeakPolarHBondContact O-CB 3.3Å; M103-Q107 PolarHBondContact O-OE1 2.87Å; M103-Q107 VanDerWaalsContact O-OE1 3.13Å; V104-Q107 PolarHBondContact O-N 2.9Å; C105-Q107 VanDerWaalsContact C-N 3.34Å; C105-Q107 PolarHBondContact O-N 2.92Å; Q107-Y109 PolarHBondContact O-N 3.02Å; Q107-K110 PolarHBondContact O-N 2.86Å; Q107-L111 HydrophobicContact CG-CD1 4.2Å; Q107-L111 WeakPolarHBondContact O-CG 3.47Å; Q107-L111 PolarHBondContact O-N 2.9Å |
| 108 | E | 96.4 | Very high | 96.9 | Very high | 109 Ų | 109 | 71.3 Ų | 71.3 | 51% | 0.509 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.8 | -39.1 | 178.2 | -67.4 | -54.1 | 138.2 | 0 | 0 | 112 | V104 K110 L111 G112 | V104-E108 HydrophobicContact CG1-CG 4.31Å; V104-E108 WeakPolarHBondContact O-CB 3.34Å; V104-E108 VanDerWaalsContact O-CG 3.31Å; V104-E108 WeakPolarHBondContact O-CG 3.48Å; V104-E108 PolarHBondContact O-N 2.02Å; E108-K110 VanDerWaalsContact C-N 3.32Å; E108-K110 PolarHBondContact O-N 3.17Å; E108-L111 PolarHBondContact O-N 2.83Å; E108-G112 WeakPolarHBondContact O-CA 3.3Å; E108-G112 PolarHBondContact O-N 2.9Å |
| 109 | Y | 97.7 | Very high | 96.9 | Very high | 55 Ų | 55 | 69.9 Ų | 69.9 | 22% | 0.216 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -56.9 | -46.7 | 173.4 | -175.5 | -81.1 | 0 | 0 | 0 | 111.5 | F43 G46 T47 C105 Q107 G112 A113 V117 | F43-Y109 HydrophobicContact CB-CD2 4.38Å; F43-Y109 HydrophobicContact CB-CE2 4.28Å; F43-Y109 AromaticContact CD1-CD2 3.58Å; F43-Y109 HydrophobicContact CD1-CD2 3.58Å; F43-Y109 HydrophobicContact CD1-CE2 4.23Å; F43-Y109 HydrophobicContact CD1-CG 4.15Å; F43-Y109 AromaticContact CD2-CD2 3.97Å; F43-Y109 HydrophobicContact CD2-CD2 3.97Å; F43-Y109 AromaticContact CE1-CD2 3.74Å; F43-Y109 HydrophobicContact CE1-CD2 3.74Å; F43-Y109 AromaticContact CE1-CG 4Å; F43-Y109 HydrophobicContact CE1-CG 4Å; F43-Y109 HydrophobicContact CE2-CD2 4.1Å; F43-Y109 AromaticContact CG-CD2 3.7Å; F43-Y109 HydrophobicContact CG-CD2 3.7Å; F43-Y109 HydrophobicContact CG-CE2 4.09Å; F43-Y109 AromaticContact CZ-CD2 3.99Å; F43-Y109 HydrophobicContact CZ-CD2 3.99Å; F43-Y109 HydrophobicContact CZ-CG 4.38Å; G46-Y109 WeakPolarHBondContact CA-OH 3.49Å; T47-Y109 HydrophobicContact CG2-CD1 3.35Å; T47-Y109 HydrophobicContact CG2-CD2 4.45Å; T47-Y109 HydrophobicContact CG2-CE1 3.86Å; T47-Y109 HydrophobicContact CG2-CG 3.7Å; C105-Y109 VanDerWaalsContact O-CB 3.3Å; C105-Y109 WeakPolarHBondContact O-CB 3.38Å; C105-Y109 PolarHBondContact O-N 2.88Å; Q107-Y109 PolarHBondContact O-N 3.02Å; Y109-G112 PolarHBondContact O-N 2.83Å; Y109-A113 HydrophobicContact CD1-CB 4.49Å; Y109-A113 HydrophobicContact CE1-CB 4.29Å; Y109-A113 VanDerWaalsContact O-CB 3.24Å; Y109-A113 WeakPolarHBondContact O-CB 3.26Å; Y109-A113 PolarHBondContact O-N 3.44Å; Y109-V117 HydrophobicContact CE2-CG2 3.8Å |
| 110 | K | 96.6 | Very high | 96.9 | Very high | 147 Ų | 147 | 72 Ų | 72 | 64% | 0.639 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -65.2 | -40.5 | -179.6 | -73.6 | 173.2 | -177.3 | -178 | 0 | 112.3 | R106 Q107 E108 | R106-K110 VanDerWaalsContact O-CG 3.28Å; R106-K110 WeakPolarHBondContact O-CG 3.33Å; R106-K110 PolarHBondContact O-N 2.85Å; Q107-K110 PolarHBondContact O-N 2.86Å; E108-K110 VanDerWaalsContact C-N 3.32Å; E108-K110 PolarHBondContact O-N 3.17Å |
| 111 | L | 96.8 | Very high | 96.9 | Very high | 103 Ų | 103 | 73.3 Ų | 73.3 | 54% | 0.539 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68.9 | -38.7 | 177.3 | -67.3 | 173.3 | 0 | 0 | 0 | 111.2 | Q107 E108 F115 | Q107-L111 HydrophobicContact CG-CD1 4.2Å; Q107-L111 WeakPolarHBondContact O-CG 3.47Å; Q107-L111 PolarHBondContact O-N 2.9Å; E108-L111 PolarHBondContact O-N 2.83Å; L111-F115 WeakPolarHBondContact O-CE1 3.43Å |
| 112 | G | 96.8 | Very high | 96.9 | Very high | 9 Ų | 9 | 75.7 Ų | 75.7 | 9% | 0.093 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -81.7 | -28.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | E108 Y109 P114 F115 T116 | E108-G112 WeakPolarHBondContact O-CA 3.3Å; E108-G112 PolarHBondContact O-N 2.9Å; Y109-G112 PolarHBondContact O-N 2.83Å; G112-P114 VanDerWaalsContact C-CD 3.44Å; G112-F115 VanDerWaalsContact CA-CZ 3.44Å; G112-F115 PolarHBondContact O-N 2.9Å; G112-F115 VanDerWaalsContact O-N 3.13Å; G112-T116 PolarHBondContact O-N 2.93Å; G112-T116 PolarHBondContact O-OG1 3.45Å |
| 113 | A | 96.9 | Very high | 96.9 | Very high | 11 Ų | 11 | 71.8 Ų | 71.8 | 9% | 0.091 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -50.9 | -45.1 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y109 F115 T116 V117 E118 | Y109-A113 HydrophobicContact CD1-CB 4.49Å; Y109-A113 HydrophobicContact CE1-CB 4.29Å; Y109-A113 VanDerWaalsContact O-CB 3.24Å; Y109-A113 WeakPolarHBondContact O-CB 3.26Å; Y109-A113 PolarHBondContact O-N 3.44Å; A113-F115 PolarHBondContact O-N 3.46Å; A113-F115 VanDerWaalsContact O-N 3.11Å; A113-T116 PolarHBondContact O-N 2.89Å; A113-V117 HydrophobicContact CB-CB 4.28Å; A113-V117 HydrophobicContact CB-CG2 4.31Å; A113-V117 PolarHBondContact O-N 3.49Å; A113-E118 PolarHBondContact O-N 3.21Å |
| 114 | P | 96.9 | Very high | 97 | Very high | 81 Ų | 81 | 72.5 Ų | 72.5 | 53% | 0.526 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -60.4 | -26.2 | -177.2 | -26.1 | 36.4 | 0 | 0 | 0 | 114.8 | G112 | G112-P114 VanDerWaalsContact C-CD 3.44Š|
| 115 | F | 95.5 | Very high | 97.1 | Very high | 135 Ų | 135 | 70.3 Ų | 70.3 | 59% | 0.592 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -116.3 | 0.9 | -177.4 | 53.9 | -96.9 | 0 | 0 | 0 | 114.1 | L111 G112 A113 | L111-F115 WeakPolarHBondContact O-CE1 3.43Å; G112-F115 VanDerWaalsContact CA-CZ 3.44Å; G112-F115 PolarHBondContact O-N 2.9Å; G112-F115 VanDerWaalsContact O-N 3.13Å; A113-F115 PolarHBondContact O-N 3.46Å; A113-F115 VanDerWaalsContact O-N 3.11Å |
| 116 | T | 96.6 | Very high | 97.1 | Very high | 35 Ų | 35 | 73 Ų | 73 | 22% | 0.215 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | -65.9 | 176.7 | 55.5 | 0 | 0 | 0 | 0 | 111.6 | G112 A113 R119 W179 | G112-T116 PolarHBondContact O-N 2.93Å; G112-T116 PolarHBondContact O-OG1 3.45Å; A113-T116 PolarHBondContact O-N 2.89Å; T116-R119 WeakPolarHBondContact O-CB 3.32Å; T116-R119 PolarHBondContact O-N 2.78Å; T116-W179 HydrophobicContact CG2-CH2 3.89Å; T116-W179 HydrophobicContact CG2-CZ3 3.97Å |
| 117 | V | 95.9 | Very high | 97.1 | Very high | 76 Ų | 76 | 71.1 Ų | 71.1 | 46% | 0.461 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -44.1 | -176.5 | 179.3 | 0 | 0 | 0 | 0 | 111.5 | Y109 A113 R119 | Y109-V117 HydrophobicContact CE2-CG2 3.8Å; A113-V117 HydrophobicContact CB-CB 4.28Å; A113-V117 HydrophobicContact CB-CG2 4.31Å; A113-V117 PolarHBondContact O-N 3.49Å; V117-R119 VanDerWaalsContact C-N 3.27Å |
| 118 | E | 95.7 | Very high | 97.1 | Very high | 128 Ų | 128 | 71 Ų | 71 | 60% | 0.598 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -84.7 | -6 | -178.5 | -63.6 | 176 | -166.2 | 0 | 0 | 112.5 | A113 N120 | A113-E118 PolarHBondContact O-N 3.21Å; E118-N120 PolarHBondContact O-N 2.96Å; E118-N120 PolarHBondContact O-ND2 3.19Å; E118-N120 VanDerWaalsContact O-ND2 3.09Å |
| 119 | R | 96.8 | Very high | 97.1 | Very high | 86 Ų | 86 | 67.3 Ų | 67.3 | 33% | 0.325 | 34% | 0.344 | S | S | . | . | trans | -65.1 | 120.7 | 178 | 179.3 | -178.7 | 172.2 | 77.6 | -1.1 | 109 | T116 V117 V121 Y149 | T116-R119 WeakPolarHBondContact O-CB 3.32Å; T116-R119 PolarHBondContact O-N 2.78Å; V117-R119 VanDerWaalsContact C-N 3.27Å; R119-V121 HydrophobicContact CG-CG2 4.43Å; R119-Y149 HydrophobicContact CB-CD1 4.09Å; R119-Y149 HydrophobicContact CB-CE1 4.01Å; R119-Y149 HydrophobicContact CG-CD1 3.77Å; R119-Y149 HydrophobicContact CG-CE1 4.11Å; R119-Y149 HydrophobicContact CG-CG 4.49Å; R119-Y149 VanDerWaalsContact O-CD1 3.29Å; R119-Y149 WeakPolarHBondContact O-CD1 3.42Å | ||
| 120 | N | 97.2 | Very high | 96.8 | Very high | 77 Ų | 77 | 69.4 Ų | 69.4 | 41% | 0.412 | 36% | 0.356 | S | S | . | . | trans | -130.9 | 128.9 | 171 | -69.5 | -70.9 | 0 | 0 | 0 | 109.1 | E118 Y149 P150 | E118-N120 PolarHBondContact O-N 2.96Å; E118-N120 PolarHBondContact O-ND2 3.19Å; E118-N120 VanDerWaalsContact O-ND2 3.09Å; N120-Y149 CarbonylContact C-O 3.53Å; N120-Y149 WeakPolarHBondContact CA-O 3.37Å; N120-P150 VanDerWaalsContact OD1-CD 3.3Å; N120-P150 WeakPolarHBondContact OD1-CD 3.43Å | ||
| 121 | V | 98.1 | Very high | 96.5 | Very high | 36 Ų | 36 | 70.6 Ų | 70.6 | 22% | 0.218 | 36% | 0.357 | C | S | . | . | B | Isolated β-bridge | trans | -124.3 | 117.1 | 174.8 | -173.4 | 0 | 0 | 0 | 0 | 106.8 | R119 D147 F148 Y149 H203 | R119-V121 HydrophobicContact CG-CG2 4.43Å; V121-D147 WeakPolarHBondContact CG1-O 3.39Å; V121-F148 WeakPolarHBondContact O-CA 3.34Å; V121-Y149 PolarHBondContact N-O 2.57Å; V121-Y149 PolarHBondContact O-N 3.44Å; V121-H203 PolarHBondContact O-CE1 3.05Å |
| 122 | P | 98.2 | Very high | 96 | Very high | 69 Ų | 69 | 70.6 Ų | 70.6 | 45% | 0.448 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 148 | -178.8 | 29.1 | -34.6 | 0 | 0 | 0 | 110.9 | L206 | P122-L206 HydrophobicContact CB-CD2 3.8Š|
| 123 | P | 98.5 | Very high | 95.3 | Very high | 18 Ų | 18 | 72 Ų | 72 | 12% | 0.117 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 150.6 | 176.8 | 27.7 | -33.5 | 0 | 0 | 0 | 113.6 | V125 V145 T146 F148 V201 H203 L206 | P123-V125 HydrophobicContact CB-CG2 4.34Å; P123-V125 HydrophobicContact CG-CG2 4.41Å; P123-V145 HydrophobicContact CB-CG1 3.46Å; P123-V145 VanDerWaalsContact CB-CG1 3.46Å; P123-V145 HydrophobicContact CG-CG1 4.27Å; P123-T146 WeakPolarHBondContact CA-O 3.42Å; P123-F148 HydrophobicContact CB-CB 3.74Å; P123-F148 HydrophobicContact CB-CD1 4.1Å; P123-F148 HydrophobicContact CB-CG 4.18Å; P123-F148 HydrophobicContact CG-CB 4.44Å; P123-V201 HydrophobicContact CG-CG1 4.02Å; P123-H203 HydrophobicContact CG-CB 4.2Å; P123-L206 HydrophobicContact CG-CD1 3.87Å; P123-L206 HydrophobicContact CG-CD2 4.45Å; P123-L206 HydrophobicContact CG-CG 4.23Å |
| 124 | E | 98.2 | Very high | 94.8 | Very high | 118 Ų | 118 | 75.1 Ų | 75.1 | 55% | 0.551 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 131.1 | 156.6 | -174 | 168.7 | 176.8 | 0 | 0 | 109.2 | V145 T146 | E124-V145 CarbonylContact O-C 3.58Å; E124-V145 VanDerWaalsContact O-CA 3.32Å; E124-V145 WeakPolarHBondContact O-CA 3.1Å; E124-T146 PolarHBondContact N-O 2.95Å; E124-T146 PolarHBondContact O-N 3.46Å |
| 125 | V | 98.6 | Very high | 94.1 | Very high | 21 Ų | 21 | 74.4 Ų | 74.4 | 13% | 0.127 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 121.9 | -175.1 | -174.7 | 0 | 0 | 0 | 0 | 109.2 | P123 V145 V201 V210 V212 | P123-V125 HydrophobicContact CB-CG2 4.34Å; P123-V125 HydrophobicContact CG-CG2 4.41Å; V125-V145 HydrophobicContact CG1-CG2 4.46Å; V125-V145 HydrophobicContact CG2-CG1 4.31Å; V125-V201 HydrophobicContact CG1-CG2 3.9Å; V125-V201 HydrophobicContact CG2-CB 4.1Å; V125-V201 HydrophobicContact CG2-CG1 4.31Å; V125-V201 HydrophobicContact CG2-CG2 3.77Å; V125-V210 HydrophobicContact CB-CG1 4.45Å; V125-V210 HydrophobicContact CG2-CG1 4.24Å; V125-V212 HydrophobicContact CB-CG2 3.87Å; V125-V212 HydrophobicContact CG1-CB 4.17Å; V125-V212 HydrophobicContact CG1-CG2 3.62Å |
| 126 | T | 98.1 | Very high | 93.6 | Very high | 55 Ų | 55 | 75.9 Ų | 75.9 | 34% | 0.337 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 140.5 | 176.2 | 60.6 | 0 | 0 | 0 | 0 | 110.5 | C143 S144 | T126-C143 CarbonylContact O-C 3.58Å; T126-C143 WeakPolarHBondContact O-CA 3.36Å; T126-S144 PolarHBondContact N-O 3.11Å; T126-S144 PolarHBondContact O-N 3.26Å |
| 127 | V | 98.1 | Very high | 93.2 | Very high | 23 Ų | 23 | 79.5 Ų | 79.5 | 14% | 0.139 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 124.9 | 177.8 | 177.3 | 0 | 0 | 0 | 0 | 109.7 | L141 L142 C143 W157 C199 V212 W214 | V127-L141 HydrophobicContact CG1-CD1 3.93Å; V127-L141 HydrophobicContact CG1-CD2 3.96Å; V127-L141 HydrophobicContact CG1-CG 3.84Å; V127-L142 VanDerWaalsContact CA-O 3.27Å; V127-L142 WeakPolarHBondContact CA-O 3.4Å; V127-C143 HydrophobicContact CG2-CB 4.25Å; V127-W157 HydrophobicContact CG1-CH2 3.73Å; V127-W157 HydrophobicContact CG1-CZ3 4.26Å; V127-W157 HydrophobicContact CG2-CH2 4.23Å; V127-C199 HydrophobicContact CG2-CB 3.64Å; V127-V212 HydrophobicContact CB-CG1 3.99Å; V127-V212 HydrophobicContact CG2-CB 3.85Å; V127-V212 HydrophobicContact CG2-CG1 3.73Å; V127-W214 HydrophobicContact CG1-CB 3.63Å; V127-W214 HydrophobicContact CG1-CG 4.31Å |
| 128 | Y | 95.5 | Very high | 93.1 | Very high | 99 Ų | 99 | 83.5 Ų | 83.5 | 39% | 0.388 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 150.7 | -179.3 | 59.2 | -87.5 | 0 | 0 | 0 | 111.5 | L142 | Y128-L142 HydrophobicContact CD2-CB 4.35Å; Y128-L142 HydrophobicContact CE1-CB 4.32Å; Y128-L142 HydrophobicContact CE2-CB 3.99Å; Y128-L142 HydrophobicContact CE2-CD2 3.8Å; Y128-L142 HydrophobicContact CE2-CG 4.35Å; Y128-L142 PolarHBondContact N-O 2.94Å; Y128-L142 PolarHBondContact O-N 3.14Å |
| 129 | P | 95.7 | Very high | 93 | Very high | 31 Ų | 31 | 78.1 Ų | 78.1 | 20% | 0.201 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 149.5 | 175.5 | 33.8 | -35.2 | 0 | 0 | 0 | 110.7 | R131 P133 L140 L141 M189 | P129-R131 VanDerWaalsContact C-N 3.26Å; P129-R131 WeakPolarHBondContact CB-O 3.28Å; P129-R131 PolarHBondContact O-N 2.89Å; P129-P133 HydrophobicContact CG-CG 4.39Å; P129-L140 CarbonylContact C-O 3.51Å; P129-L140 WeakPolarHBondContact CA-O 3.24Å; P129-L141 HydrophobicContact CB-CD1 4.27Å; P129-M189 HydrophobicContact CB-CE 4.33Å |
| 130 | E | 93 | Very high | 93 | Very high | 99 Ų | 99 | 76.1 Ų | 76.1 | 46% | 0.463 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -60.8 | -40.3 | 176.8 | -169 | -163.1 | -151.1 | 0 | 0 | 111.2 | L140 L142 | E130-L140 HydrophobicContact CB-CB 3.97Å; E130-L140 PolarHBondContact N-O 3.39Å; E130-L142 HydrophobicContact CB-CD1 3.73Å; E130-L142 HydrophobicContact CG-CD1 4.43Å |
| 131 | R | 90.4 | Very high | 93 | Very high | 173 Ų | 173 | 72.5 Ų | 72.5 | 65% | 0.653 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -131.7 | 163.6 | -179.3 | -57.5 | 178.8 | -162.7 | 174.7 | 2.9 | 110.3 | P129 P133 N139 | P129-R131 VanDerWaalsContact C-N 3.26Å; P129-R131 WeakPolarHBondContact CB-O 3.28Å; P129-R131 PolarHBondContact O-N 2.89Å; R131-P133 WeakPolarHBondContact O-CD 3.3Å; R131-P133 VanDerWaalsContact O-N 3.1Å; R131-N139 PolarHBondContact N-OD1 3.25Å; R131-N139 PolarHBondContact O-ND2 2.97Å |
| 132 | T | 86 | Confident | 93 | Very high | 102 Ų | 102 | 72 Ų | 72 | 63% | 0.626 | 36% | 0.359 | S | S | * | . | trans | -50.3 | 119.5 | 173.2 | -51.8 | 0 | 0 | 0 | 0 | 109.8 | L134 | T132-L134 PolarHBondContact O-N 3.21Š| ||
| 133 | P | 82.6 | Confident | 93 | Very high | 38 Ų | 38 | 68.7 Ų | 68.7 | 25% | 0.247 | 34% | 0.337 | C | S | . | . | trans | -73 | 127.8 | -172 | 30 | -36 | 0 | 0 | 0 | 110.6 | P129 R131 W214 | P129-P133 HydrophobicContact CG-CG 4.39Å; R131-P133 WeakPolarHBondContact O-CD 3.3Å; R131-P133 VanDerWaalsContact O-N 3.1Å; P133-W214 HydrophobicContact CB-CH2 4.14Å; P133-W214 HydrophobicContact CB-CZ2 3.98Å; P133-W214 HydrophobicContact CG-CZ2 3.96Å | ||
| 134 | L | 84.5 | Confident | 93 | Very high | 78 Ų | 78 | 68.5 Ų | 68.5 | 41% | 0.408 | 34% | 0.336 | S | S | . | . | trans | -113.5 | 130.9 | 169.6 | -65 | 176.6 | 0 | 0 | 0 | 108.4 | T132 Q137 | T132-L134 PolarHBondContact O-N 3.21Å; L134-Q137 HydrophobicContact CB-CB 4.16Å; L134-Q137 HydrophobicContact CB-CG 4.05Å; L134-Q137 VanDerWaalsContact CD1-OE1 3.29Å; L134-Q137 PolarHBondContact O-N 3.01Å | ||
| 135 | L | 83.4 | Confident | 93 | Very high | 66 Ų | 66 | 62.9 Ų | 62.9 | 35% | 0.346 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 141.4 | 179 | -65.1 | 176.7 | 0 | 0 | 0 | 110.1 | Q137 P191 L193 | L135-Q137 PolarHBondContact O-N 3.19Å; L135-Q137 VanDerWaalsContact O-N 3.17Å; L135-P191 WeakPolarHBondContact CA-O 3.42Å; L135-L193 HydrophobicContact CD1-CB 4.12Å; L135-L193 HydrophobicContact CD1-CD1 4.32Å; L135-L193 HydrophobicContact CD2-CB 4.4Å |
| 136 | Q | 84.9 | Confident | 93 | Very high | 165 Ų | 165 | 63 Ų | 63 | 77% | 0.771 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 15.6 | 179.6 | -56.8 | 170.7 | -12.9 | 0 | 0 | 115 | P191 | Q136-P191 PolarHBondContact N-O 3.31Š|
| 137 | Q | 88.9 | Confident | 93 | Very high | 111 Ų | 111 | 64 Ų | 64 | 52% | 0.519 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -113.8 | 146.8 | 172.1 | -62 | -169.9 | 10.5 | 0 | 0 | 111.3 | L134 L135 N139 P191 | L134-Q137 HydrophobicContact CB-CB 4.16Å; L134-Q137 HydrophobicContact CB-CG 4.05Å; L134-Q137 VanDerWaalsContact CD1-OE1 3.29Å; L134-Q137 PolarHBondContact O-N 3.01Å; L135-Q137 PolarHBondContact O-N 3.19Å; L135-Q137 VanDerWaalsContact O-N 3.17Å; Q137-N139 PolarHBondContact O-N 3.34Å; Q137-P191 WeakPolarHBondContact O-CD 3.4Å |
| 138 | H | 93.2 | Very high | 93 | Very high | 160 Ų | 160 | 62.9 Ų | 62.9 | 74% | 0.741 | 31% | 0.308 | S | S | * | . | trans | -61.8 | 134.1 | 176.2 | -71.1 | -81.9 | 0 | 0 | 0 | 111.4 | M189 I190 | H138-M189 WeakPolarHBondContact CA-O 3.47Å; H138-I190 WeakPolarHBondContact CE1-CD1 3.44Å; H138-I190 WeakPolarHBondContact ND1-CG1 3.4Å | ||
| 139 | N | 93.7 | Very high | 93.2 | Very high | 16 Ų | 16 | 60 Ų | 60 | 9% | 0.086 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 169.3 | 173.1 | -156.8 | -11.6 | 0 | 0 | 0 | 109.6 | R131 Q137 M189 | R131-N139 PolarHBondContact N-OD1 3.25Å; R131-N139 PolarHBondContact O-ND2 2.97Å; Q137-N139 PolarHBondContact O-N 3.34Å; N139-M189 HydrophobicContact CB-CE 4.12Å; N139-M189 HydrophobicContact CB-CG 4.49Å; N139-M189 PolarHBondContact N-O 3.03Å; N139-M189 PolarHBondContact O-N 2.03Å; N139-M189 VanDerWaalsContact O-O 3.1Å |
| 140 | L | 95.8 | Very high | 93.3 | Very high | 44 Ų | 44 | 59.9 Ų | 59.9 | 23% | 0.23 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 132.5 | 172.6 | -74.3 | 167.9 | 0 | 0 | 0 | 108.9 | P129 E130 L142 L187 E188 | P129-L140 CarbonylContact C-O 3.51Å; P129-L140 WeakPolarHBondContact CA-O 3.24Å; E130-L140 HydrophobicContact CB-CB 3.97Å; E130-L140 PolarHBondContact N-O 3.39Å; L140-L142 HydrophobicContact CB-CD1 4.19Å; L140-L187 WeakPolarHBondContact CA-O 3.23Å; L140-E188 HydrophobicContact CD2-CB 4.36Å; L140-E188 HydrophobicContact CD2-CG 3.63Å |
| 141 | L | 97.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 124.9 | 170.4 | -164.1 | 66.5 | 0 | 0 | 0 | 109 | V127 P129 W157 M186 L187 M189 Y197 W214 | V127-L141 HydrophobicContact CG1-CD1 3.93Å; V127-L141 HydrophobicContact CG1-CD2 3.96Å; V127-L141 HydrophobicContact CG1-CG 3.84Å; P129-L141 HydrophobicContact CB-CD1 4.27Å; L141-W157 HydrophobicContact CB-CH2 4.22Å; L141-W157 HydrophobicContact CB-CZ2 4.42Å; L141-W157 HydrophobicContact CD2-CE3 4.47Å; L141-W157 HydrophobicContact CD2-CH2 3.46Å; L141-W157 VanDerWaalsContact CD2-CH2 3.46Å; L141-W157 HydrophobicContact CD2-CZ2 4.39Å; L141-W157 HydrophobicContact CD2-CZ3 3.51Å; L141-W157 HydrophobicContact CG-CH2 3.62Å; L141-W157 HydrophobicContact CG-CZ2 4.26Å; L141-W157 HydrophobicContact CG-CZ3 4.21Å; L141-M186 CarbonylContact O-C 3.59Å; L141-M186 VanDerWaalsContact O-CA 3.29Å; L141-M186 WeakPolarHBondContact O-CA 3.37Å; L141-L187 PolarHBondContact N-O 3.23Å; L141-L187 PolarHBondContact O-N 3.1Å; L141-M189 HydrophobicContact CB-CE 3.84Å; L141-M189 HydrophobicContact CB-CG 4.45Å; L141-M189 HydrophobicContact CB-SD 3.85Å; L141-M189 HydrophobicContact CD1-CE 3.88Å; L141-M189 HydrophobicContact CD1-SD 4.49Å; L141-M189 HydrophobicContact CD2-SD 4.27Å; L141-M189 HydrophobicContact CG-CE 4.34Å; L141-M189 HydrophobicContact CG-SD 4.44Å; L141-Y197 VanDerWaalsContact CD2-CB 3.44Å; L141-Y197 HydrophobicContact CD2-CD1 4.32Å; L141-Y197 HydrophobicContact CD2-CD2 4.45Å; L141-Y197 HydrophobicContact CD2-CG 3.84Å; L141-W214 HydrophobicContact CD1-CB 4.33Å; L141-W214 HydrophobicContact CD1-CD2 3.71Å; L141-W214 HydrophobicContact CD1-CE3 4Å; L141-W214 HydrophobicContact CD1-CG 3.83Å; L141-W214 HydrophobicContact CD2-CB 4.23Å; L141-W214 HydrophobicContact CD2-CD2 4.34Å; L141-W214 HydrophobicContact CD2-CE3 4.03Å; L141-W214 HydrophobicContact CD2-CG 4.43Å |
| 142 | L | 98.4 | Very high | 93.8 | Very high | 25 Ų | 25 | 53.7 Ų | 53.7 | 13% | 0.131 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 128 | -176.9 | -72.4 | 74.4 | 0 | 0 | 0 | 108.9 | V127 Y128 E130 L140 T184 M186 | V127-L142 VanDerWaalsContact CA-O 3.27Å; V127-L142 WeakPolarHBondContact CA-O 3.4Å; Y128-L142 HydrophobicContact CD2-CB 4.35Å; Y128-L142 HydrophobicContact CE1-CB 4.32Å; Y128-L142 HydrophobicContact CE2-CB 3.99Å; Y128-L142 HydrophobicContact CE2-CD2 3.8Å; Y128-L142 HydrophobicContact CE2-CG 4.35Å; Y128-L142 PolarHBondContact N-O 2.94Å; Y128-L142 PolarHBondContact O-N 3.14Å; E130-L142 HydrophobicContact CB-CD1 3.73Å; E130-L142 HydrophobicContact CG-CD1 4.43Å; L140-L142 HydrophobicContact CB-CD1 4.19Å; L142-T184 HydrophobicContact CB-CG2 4.16Å; L142-T184 HydrophobicContact CD2-CG2 4.13Å; L142-T184 HydrophobicContact CG-CG2 4.24Å; L142-M186 HydrophobicContact CG-CG 3.98Å |
| 143 | C | 98.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 100.5 | 162.8 | -177.2 | 0 | 0 | 0 | 0 | 107.9 | T126 V127 W157 T184 V185 C199 | T126-C143 CarbonylContact O-C 3.58Å; T126-C143 WeakPolarHBondContact O-CA 3.36Å; V127-C143 HydrophobicContact CG2-CB 4.25Å; C143-W157 HydrophobicContact CB-CH2 3.91Å; C143-W157 HydrophobicContact CB-CZ2 3.44Å; C143-W157 VanDerWaalsContact CB-CZ2 3.44Å; C143-T184 WeakPolarHBondContact O-CA 2.99Å; C143-V185 PolarHBondContact N-O 2.91Å; C143-V185 PolarHBondContact O-N 2.92Å; C143-C199 HydrophobicContact CB-CB 3.57Å; C143-C199 WeakPolarHBondContact CB-SG 3.42Å; C143-C199 WeakPolarHBondContact SG-CB 3.19Å; C143-C199 CovalentContact SG-SG 2.02Å; C143-C199 PolarHBondContact SG-SG 2.65Å |
| 144 | S | 98.4 | Very high | 95.2 | Very high | 14 Ų | 14 | 51.6 Ų | 51.6 | 10% | 0.098 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 122.5 | 176.3 | -174.7 | 0 | 0 | 0 | 0 | 108.9 | T126 | T126-S144 PolarHBondContact N-O 3.11Å; T126-S144 PolarHBondContact O-N 3.26Å |
| 145 | V | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 111.2 | -178.3 | -171.3 | 0 | 0 | 0 | 0 | 107.7 | P123 E124 V125 F148 I153 V155 Q182 T183 V201 | P123-V145 HydrophobicContact CB-CG1 3.46Å; P123-V145 VanDerWaalsContact CB-CG1 3.46Å; P123-V145 HydrophobicContact CG-CG1 4.27Å; E124-V145 CarbonylContact O-C 3.58Å; E124-V145 VanDerWaalsContact O-CA 3.32Å; E124-V145 WeakPolarHBondContact O-CA 3.1Å; V125-V145 HydrophobicContact CG1-CG2 4.46Å; V125-V145 HydrophobicContact CG2-CG1 4.31Å; V145-F148 HydrophobicContact CB-CE1 4.38Å; V145-F148 HydrophobicContact CG1-CD1 3.93Å; V145-F148 HydrophobicContact CG1-CE1 3.92Å; V145-F148 WeakPolarHBondContact O-CE1 3.46Å; V145-I153 HydrophobicContact CG1-CD1 3.59Å; V145-V155 HydrophobicContact CG2-CG1 4.41Å; V145-V155 HydrophobicContact CG2-CG2 4.1Å; V145-Q182 CarbonylContact O-C 3.59Å; V145-Q182 VanDerWaalsContact O-CA 3.26Å; V145-Q182 WeakPolarHBondContact O-CA 3.41Å; V145-T183 HydrophobicContact CB-CG2 4.14Å; V145-T183 PolarHBondContact N-O 3.07Å; V145-T183 PolarHBondContact O-N 2.81Å; V145-V201 HydrophobicContact CG1-CG1 4.18Å; V145-V201 HydrophobicContact CG2-CG2 3.94Å |
| 146 | T | 98.5 | Very high | 96.5 | Very high | 25 Ų | 25 | 49.2 Ų | 49.2 | 15% | 0.153 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 165.9 | -169.4 | 61.2 | 0 | 0 | 0 | 0 | 112.7 | P123 E124 F148 Q182 | P123-T146 WeakPolarHBondContact CA-O 3.42Å; E124-T146 PolarHBondContact N-O 2.95Å; E124-T146 PolarHBondContact O-N 3.46Å; T146-F148 VanDerWaalsContact C-N 3.29Å; T146-F148 PolarHBondContact O-N 3.05Å; T146-Q182 HydrophobicContact CG2-CB 4.12Å |
| 147 | D | 98 | Very high | 97.2 | Very high | 75 Ų | 75 | 41.4 Ų | 41.4 | 40% | 0.401 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 59 | 31.2 | 167.4 | -53.8 | -48.9 | 0 | 0 | 0 | 115.6 | V121 F181 | V121-D147 WeakPolarHBondContact CG1-O 3.39Å; D147-F181 PolarHBondContact N-O 3.4Å; D147-F181 VanDerWaalsContact N-O 3.16Å |
| 148 | F | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 158.1 | -177.7 | 66.6 | -89.7 | 0 | 0 | 0 | 114.2 | V121 P123 V145 T146 P150 I153 L173 T180 F181 T183 H203 | V121-F148 WeakPolarHBondContact O-CA 3.34Å; P123-F148 HydrophobicContact CB-CB 3.74Å; P123-F148 HydrophobicContact CB-CD1 4.1Å; P123-F148 HydrophobicContact CB-CG 4.18Å; P123-F148 HydrophobicContact CG-CB 4.44Å; V145-F148 HydrophobicContact CB-CE1 4.38Å; V145-F148 HydrophobicContact CG1-CD1 3.93Å; V145-F148 HydrophobicContact CG1-CE1 3.92Å; V145-F148 WeakPolarHBondContact O-CE1 3.46Å; T146-F148 VanDerWaalsContact C-N 3.29Å; T146-F148 PolarHBondContact O-N 3.05Å; F148-P150 WeakPolarHBondContact CD2-O 3.25Å; F148-I153 HydrophobicContact CD1-CD1 4.11Å; F148-I153 HydrophobicContact CD2-CD1 3.94Å; F148-I153 HydrophobicContact CE1-CD1 3.89Å; F148-I153 HydrophobicContact CE2-CB 3.93Å; F148-I153 HydrophobicContact CE2-CD1 3.73Å; F148-I153 HydrophobicContact CE2-CG1 4.44Å; F148-I153 HydrophobicContact CE2-CG2 3.89Å; F148-I153 HydrophobicContact CG-CD1 4.14Å; F148-I153 HydrophobicContact CZ-CB 4.31Å; F148-I153 HydrophobicContact CZ-CD1 3.71Å; F148-I153 HydrophobicContact CZ-CG2 3.87Å; F148-L173 HydrophobicContact CE2-CD1 3.9Å; F148-L173 HydrophobicContact CZ-CD1 3.65Å; F148-T180 CarbonylContact O-C 3.57Å; F148-T180 WeakPolarHBondContact O-CA 3.49Å; F148-F181 VanDerWaalsContact CD1-O 3.3Å; F148-F181 WeakPolarHBondContact CD1-O 3.11Å; F148-F181 HydrophobicContact CD2-CB 4.14Å; F148-F181 HydrophobicContact CE1-CB 4.24Å; F148-F181 WeakPolarHBondContact CE1-O 3.43Å; F148-F181 HydrophobicContact CE2-CB 3.74Å; F148-F181 HydrophobicContact CZ-CB 3.79Å; F148-F181 PolarHBondContact N-O 3Å; F148-F181 PolarHBondContact O-N 2.73Å; F148-T183 HydrophobicContact CE1-CG2 4.34Å; F148-T183 HydrophobicContact CZ-CG2 4.25Å; F148-H203 AromaticContact CD2-CD2 3.79Å; F148-H203 AromaticContact CD2-NE2 3.64Å |
| 149 | Y | 98.4 | Very high | 97.8 | Very high | 38 Ų | 38 | 33.5 Ų | 33.5 | 15% | 0.149 | 18% | 0.175 | C | C | . | . | B | Isolated β-bridge | trans | -156.5 | 139.1 | 173.3 | -173.2 | -80.9 | 0 | 0 | 0 | 110 | R119 N120 V121 W179 F181 H203 | R119-Y149 HydrophobicContact CB-CD1 4.09Å; R119-Y149 HydrophobicContact CB-CE1 4.01Å; R119-Y149 HydrophobicContact CG-CD1 3.77Å; R119-Y149 HydrophobicContact CG-CE1 4.11Å; R119-Y149 HydrophobicContact CG-CG 4.49Å; R119-Y149 VanDerWaalsContact O-CD1 3.29Å; R119-Y149 WeakPolarHBondContact O-CD1 3.42Å; N120-Y149 CarbonylContact C-O 3.53Å; N120-Y149 WeakPolarHBondContact CA-O 3.37Å; V121-Y149 PolarHBondContact N-O 2.57Å; V121-Y149 PolarHBondContact O-N 3.44Å; Y149-W179 WeakPolarHBondContact CD2-O 3.35Å; Y149-W179 AromaticContact CE2-CE3 3.96Å; Y149-W179 HydrophobicContact CE2-CE3 3.96Å; Y149-F181 HydrophobicContact CD2-CD2 4.02Å; Y149-F181 AromaticContact CD2-CE2 3.59Å; Y149-F181 HydrophobicContact CD2-CE2 3.59Å; Y149-F181 AromaticContact CE2-CE2 3.85Å; Y149-F181 HydrophobicContact CE2-CE2 3.85Å; Y149-H203 PolarHBondContact O-CE1 3.05Å |
| 150 | P | 98.2 | Very high | 97.9 | Very high | 29 Ų | 29 | 37.2 Ų | 37.2 | 19% | 0.188 | 20% | 0.195 | C | C | . | . | S | Bend | cis | -73.5 | 178.5 | 1.5 | 33 | -37.9 | 0 | 0 | 0 | 112 | N120 F148 D152 H203 P204 | N120-P150 VanDerWaalsContact OD1-CD 3.3Å; N120-P150 WeakPolarHBondContact OD1-CD 3.43Å; F148-P150 WeakPolarHBondContact CD2-O 3.25Å; P150-D152 VanDerWaalsContact C-N 3.26Å; P150-D152 PolarHBondContact O-N 3.11Å; P150-H203 PolarHBondContact O-NE2 3.35Å; P150-P204 HydrophobicContact CG-CG 4.37Å |
| 151 | G | 97.8 | Very high | 97.8 | Very high | 14 Ų | 14 | 38.2 Ų | 38.2 | 14% | 0.144 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -72.2 | -15.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115 | I153 | G151-I153 PolarHBondContact O-N 3.31Š|
| 152 | D | 97.2 | Very high | 97.8 | Very high | 128 Ų | 128 | 45.7 Ų | 45.7 | 68% | 0.684 | 25% | 0.251 | S | S | * | . | trans | -68.1 | 113.5 | 177.2 | -64.5 | -43.2 | 0 | 0 | 0 | 110.2 | P150 H203 P204 | P150-D152 VanDerWaalsContact C-N 3.26Å; P150-D152 PolarHBondContact O-N 3.11Å; D152-H203 PolarHBondContact O-CD2 3.13Å; D152-H203 VanDerWaalsContact O-CD2 3.27Å; D152-P204 WeakPolarHBondContact O-CD 3.31Å | ||
| 153 | I | 98.3 | Very high | 97.8 | Very high | 48 Ų | 48 | 47.7 Ų | 47.7 | 25% | 0.246 | 26% | 0.26 | C | S | . | . | trans | -148.7 | 147.9 | -174.7 | -164.8 | 163.8 | 0 | 0 | 0 | 110.9 | V145 F148 G151 V155 T183 V201 E202 H203 | V145-I153 HydrophobicContact CG1-CD1 3.59Å; F148-I153 HydrophobicContact CD1-CD1 4.11Å; F148-I153 HydrophobicContact CD2-CD1 3.94Å; F148-I153 HydrophobicContact CE1-CD1 3.89Å; F148-I153 HydrophobicContact CE2-CB 3.93Å; F148-I153 HydrophobicContact CE2-CD1 3.73Å; F148-I153 HydrophobicContact CE2-CG1 4.44Å; F148-I153 HydrophobicContact CE2-CG2 3.89Å; F148-I153 HydrophobicContact CG-CD1 4.14Å; F148-I153 HydrophobicContact CZ-CB 4.31Å; F148-I153 HydrophobicContact CZ-CD1 3.71Å; F148-I153 HydrophobicContact CZ-CG2 3.87Å; G151-I153 PolarHBondContact O-N 3.31Å; I153-V155 HydrophobicContact CD1-CG2 4.31Å; I153-V155 HydrophobicContact CG1-CG2 4.13Å; I153-T183 HydrophobicContact CG2-CG2 4.41Å; I153-V201 HydrophobicContact CD1-CG1 3.82Å; I153-V201 HydrophobicContact CG1-CG1 4.08Å; I153-E202 WeakPolarHBondContact CG1-O 3.42Å; I153-H203 HydrophobicContact CD1-CB 4.36Å; I153-H203 HydrophobicContact CG1-CB 4.18Å | ||
| 154 | S | 98.1 | Very high | 97.7 | Very high | 47 Ų | 47 | 50.5 Ų | 50.5 | 33% | 0.329 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 127.1 | 169.4 | -167.5 | 0 | 0 | 0 | 0 | 109.8 | V201 E202 | S154-V201 CarbonylContact O-C 3.59Å; S154-V201 WeakPolarHBondContact O-CA 3.49Å; S154-E202 PolarHBondContact N-O 2.93Å; S154-E202 PolarHBondContact O-N 3.39Å |
| 155 | V | 98.5 | Very high | 97.6 | Very high | 27 Ų | 27 | 59 Ų | 59 | 16% | 0.164 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 122.6 | 178.7 | -176.5 | 0 | 0 | 0 | 0 | 108.2 | V145 I153 T183 V185 C199 L200 V201 | V145-V155 HydrophobicContact CG2-CG1 4.41Å; V145-V155 HydrophobicContact CG2-CG2 4.1Å; I153-V155 HydrophobicContact CD1-CG2 4.31Å; I153-V155 HydrophobicContact CG1-CG2 4.13Å; V155-T183 HydrophobicContact CG2-CG2 4.3Å; V155-V185 HydrophobicContact CB-CG2 3.74Å; V155-V185 HydrophobicContact CG1-CB 3.83Å; V155-V185 HydrophobicContact CG1-CG1 4.45Å; V155-V185 HydrophobicContact CG1-CG2 3.55Å; V155-V185 HydrophobicContact CG2-CG2 4.38Å; V155-C199 VanDerWaalsContact CG1-SG 3.54Å; V155-L200 WeakPolarHBondContact CA-O 3.39Å; V155-V201 HydrophobicContact CG1-CG2 4.26Å; V155-V201 HydrophobicContact CG2-CG1 4.44Å; V155-V201 HydrophobicContact CG2-CG2 4.28Å |
| 156 | R | 98.4 | Very high | 97.5 | Very high | 67 Ų | 67 | 63.5 Ų | 63.5 | 25% | 0.253 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 143.9 | -175.3 | -66.5 | -174.3 | -72.7 | 142.4 | -6.2 | 111.2 | F158 E163 L200 E202 | R156-F158 HydrophobicContact CB-CE2 3.95Å; R156-E163 IonicContact CZ-OE2 3.82Å; R156-E163 IonicContact NH1-OE2 2.73Å; R156-E163 PolarHBondContact NH1-OE2 3.18Å; R156-L200 PolarHBondContact N-O 2.91Å; R156-L200 VanDerWaalsContact NH2-CD2 3.26Å; R156-L200 PolarHBondContact O-N 3.2Å; R156-E202 IonicContact CZ-OE1 2.91Å; R156-E202 IonicContact NH2-OE1 3.72Å; R156-E202 PolarHBondContact NH2-OE1 3.36Å |
| 157 | W | 98.5 | Very high | 97.3 | Very high | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.008 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 144.6 | 174 | -82.9 | 110.8 | 0 | 0 | 0 | 111.4 | V127 L141 C143 E163 E164 V168 V185 L187 S198 C199 | V127-W157 HydrophobicContact CG1-CH2 3.73Å; V127-W157 HydrophobicContact CG1-CZ3 4.26Å; V127-W157 HydrophobicContact CG2-CH2 4.23Å; L141-W157 HydrophobicContact CB-CH2 4.22Å; L141-W157 HydrophobicContact CB-CZ2 4.42Å; L141-W157 HydrophobicContact CD2-CE3 4.47Å; L141-W157 HydrophobicContact CD2-CH2 3.46Å; L141-W157 VanDerWaalsContact CD2-CH2 3.46Å; L141-W157 HydrophobicContact CD2-CZ2 4.39Å; L141-W157 HydrophobicContact CD2-CZ3 3.51Å; L141-W157 HydrophobicContact CG-CH2 3.62Å; L141-W157 HydrophobicContact CG-CZ2 4.26Å; L141-W157 HydrophobicContact CG-CZ3 4.21Å; C143-W157 HydrophobicContact CB-CH2 3.91Å; C143-W157 HydrophobicContact CB-CZ2 3.44Å; C143-W157 VanDerWaalsContact CB-CZ2 3.44Å; W157-E163 WeakPolarHBondContact O-CA 3.41Å; W157-E164 HydrophobicContact CB-CB 4.28Å; W157-E164 PolarHBondContact O-N 2.84Å; W157-V168 HydrophobicContact CB-CG2 4.3Å; W157-V168 HydrophobicContact CG-CG2 4.47Å; W157-V185 PolarHBondContact NE1-O 2.98Å; W157-V185 VanDerWaalsContact NE1-O 3.17Å; W157-L187 HydrophobicContact CB-CD2 4.25Å; W157-L187 HydrophobicContact CD2-CB 3.97Å; W157-L187 HydrophobicContact CD2-CD2 4.06Å; W157-L187 HydrophobicContact CE3-CD2 4.19Å; W157-L187 HydrophobicContact CG-CB 3.99Å; W157-L187 HydrophobicContact CG-CD2 4.11Å; W157-L187 HydrophobicContact CZ2-CB 4.35Å; W157-S198 CarbonylContact C-O 3.6Å; W157-C199 HydrophobicContact CE3-CB 4.2Å; W157-C199 HydrophobicContact CH2-CB 4.01Å; W157-C199 HydrophobicContact CZ2-CB 4.43Å; W157-C199 HydrophobicContact CZ3-CB 3.88Å |
| 158 | F | 98.3 | Very high | 97.3 | Very high | 37 Ų | 37 | 62.4 Ų | 62.4 | 16% | 0.162 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 140.8 | 171.4 | -71 | -102.6 | 0 | 0 | 0 | 109.5 | R156 Q162 E163 Y197 S198 L200 | R156-F158 HydrophobicContact CB-CE2 3.95Å; F158-Q162 CarbonylContact C-O 3.48Å; F158-Q162 WeakPolarHBondContact CA-O 3.08Å; F158-E163 HydrophobicContact CD1-CB 4.13Å; F158-E163 HydrophobicContact CE1-CB 3.77Å; F158-E163 HydrophobicContact CE1-CG 4.37Å; F158-E163 HydrophobicContact CE2-CG 4.43Å; F158-E163 HydrophobicContact CZ-CB 4.07Å; F158-E163 HydrophobicContact CZ-CG 4.16Å; F158-Y197 CarbonylContact O-C 3.53Å; F158-Y197 VanDerWaalsContact O-CA 3.28Å; F158-Y197 WeakPolarHBondContact O-CA 3.48Å; F158-S198 PolarHBondContact N-O 3.32Å; F158-S198 PolarHBondContact O-N 3.06Å; F158-L200 HydrophobicContact CD2-CB 4.05Å; F158-L200 HydrophobicContact CE2-CB 3.8Å; F158-L200 HydrophobicContact CE2-CD2 3.66Å; F158-L200 HydrophobicContact CE2-CG 4.4Å; F158-L200 HydrophobicContact CZ-CD2 4.07Å |
| 159 | R | 97 | Very high | 97.2 | Very high | 68 Ų | 68 | 67.5 Ų | 67.5 | 26% | 0.257 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 122.9 | 167.9 | -175.8 | -177.3 | -179.2 | -175 | 0.7 | 108.3 | G161 Q162 E192 D195 V196 Y197 | R159-G161 PolarHBondContact O-N 2.69Å; R159-G161 VanDerWaalsContact O-N 3.08Å; R159-Q162 PolarHBondContact N-O 3.27Å; R159-Q162 PolarHBondContact O-N 3.3Å; R159-E192 IonicContact NH2-OE1 3.15Å; R159-D195 IonicContact CZ-OD1 2.77Å; R159-D195 IonicContact CZ-OD2 3.92Å; R159-D195 IonicContact NE-OD1 3.94Å; R159-D195 PolarHBondContact NE-OD1 3.47Å; R159-D195 IonicContact NE-OD2 2.84Å; R159-D195 PolarHBondContact NE-OD2 3.39Å; R159-D195 IonicContact NH2-OD1 2.65Å; R159-D195 PolarHBondContact NH2-OD1 3.11Å; R159-D195 IonicContact NH2-OD2 3.78Å; R159-D195 PolarHBondContact NH2-OD2 3.26Å; R159-V196 WeakPolarHBondContact CA-O 3.31Å; R159-Y197 HydrophobicContact CB-CD1 4.2Å; R159-Y197 HydrophobicContact CB-CE1 4.2Å; R159-Y197 HydrophobicContact CG-CD1 4.15Å; R159-Y197 HydrophobicContact CG-CE1 3.81Å; R159-Y197 PolarHBondContact NE-OH 2.83Å |
| 160 | N | 95.7 | Very high | 97.1 | Very high | 93 Ų | 93 | 69 Ų | 69 | 50% | 0.497 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 36.1 | 180 | -57.1 | -32.2 | 0 | 0 | 0 | 113.1 | Q162 D195 V196 | N160-Q162 VanDerWaalsContact C-N 3.33Å; N160-Q162 PolarHBondContact O-N 3.05Å; N160-D195 PolarHBondContact ND2-OD1 3.35Å; N160-V196 PolarHBondContact N-O 2.91Å; N160-V196 PolarHBondContact OD1-N 3.04Å |
| 161 | G | 94 | Very high | 97 | Very high | 66 Ų | 66 | 71.3 Ų | 71.3 | 68% | 0.68 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.9 | -2.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | R159 | R159-G161 PolarHBondContact O-N 2.69Å; R159-G161 VanDerWaalsContact O-N 3.08Å |
| 162 | Q | 96.9 | Very high | 97 | Very high | 156 Ų | 156 | 72.2 Ų | 72.2 | 73% | 0.729 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 136.4 | 174 | -64.9 | -171.1 | -24 | 0 | 0 | 110.7 | F158 R159 N160 E164 | F158-Q162 CarbonylContact C-O 3.48Å; F158-Q162 WeakPolarHBondContact CA-O 3.08Å; R159-Q162 PolarHBondContact N-O 3.27Å; R159-Q162 PolarHBondContact O-N 3.3Å; N160-Q162 VanDerWaalsContact C-N 3.33Å; N160-Q162 PolarHBondContact O-N 3.05Å; Q162-E164 PolarHBondContact O-N 2.62Å |
| 163 | E | 97.8 | Very high | 97 | Very high | 67 Ų | 67 | 70.3 Ų | 70.3 | 31% | 0.313 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 125.6 | 179.4 | -169.7 | 176.4 | 132.7 | 0 | 0 | 110.2 | R156 W157 F158 R165 | R156-E163 IonicContact CZ-OE2 3.82Å; R156-E163 IonicContact NH1-OE2 2.73Å; R156-E163 PolarHBondContact NH1-OE2 3.18Å; W157-E163 WeakPolarHBondContact O-CA 3.41Å; F158-E163 HydrophobicContact CD1-CB 4.13Å; F158-E163 HydrophobicContact CE1-CB 3.77Å; F158-E163 HydrophobicContact CE1-CG 4.37Å; F158-E163 HydrophobicContact CE2-CG 4.43Å; F158-E163 HydrophobicContact CZ-CB 4.07Å; F158-E163 HydrophobicContact CZ-CG 4.16Å; E163-R165 IonicContact OE1-CZ 3.69Å; E163-R165 IonicContact OE1-NE 3.38Å; E163-R165 PolarHBondContact OE1-NE 3.02Å; E163-R165 IonicContact OE1-NH2 3.37Å; E163-R165 PolarHBondContact OE1-NH2 2.81Å |
| 164 | E | 96.8 | Very high | 97 | Very high | 59 Ų | 59 | 70.9 Ų | 70.9 | 28% | 0.276 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 128.7 | 180 | -171.4 | 59 | -99.1 | 0 | 0 | 109.6 | W157 Q162 S166 L187 | W157-E164 HydrophobicContact CB-CB 4.28Å; W157-E164 PolarHBondContact O-N 2.84Å; Q162-E164 PolarHBondContact O-N 2.62Å; E164-S166 PolarHBondContact OE1-N 3.16Å; E164-S166 VanDerWaalsContact OE1-N 3.15Å; E164-L187 HydrophobicContact CB-CD1 4.44Å; E164-L187 HydrophobicContact CG-CD1 3.58Å; E164-L187 HydrophobicContact CG-CD2 4.37Å |
| 165 | R | 96.5 | Very high | 97 | Very high | 192 Ų | 192 | 77.3 Ų | 77.3 | 73% | 0.725 | 41% | 0.411 | S | S | * | . | trans | -124.8 | -22.1 | -180 | -64.6 | -174.6 | 173.4 | -139.6 | -0.7 | 112.3 | E163 | E163-R165 IonicContact OE1-CZ 3.69Å; E163-R165 IonicContact OE1-NE 3.38Å; E163-R165 PolarHBondContact OE1-NE 3.02Å; E163-R165 IonicContact OE1-NH2 3.37Å; E163-R165 PolarHBondContact OE1-NH2 2.81Å | ||
| 166 | S | 95.9 | Very high | 96.9 | Very high | 95 Ų | 95 | 78.7 Ų | 78.7 | 66% | 0.664 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | 135.9 | 178.1 | -172 | 0 | 0 | 0 | 0 | 109.5 | E164 V168 | E164-S166 PolarHBondContact OE1-N 3.16Å; E164-S166 VanDerWaalsContact OE1-N 3.15Å; S166-V168 PolarHBondContact O-N 2.94Å |
| 167 | G | 94.1 | Very high | 96.9 | Very high | 23 Ų | 23 | 78.7 Ų | 78.7 | 24% | 0.237 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 14.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | E188 | G167-E188 PolarHBondContact O-N 3.02Š|
| 168 | V | 97.8 | Very high | 96.8 | Very high | 54 Ų | 54 | 83 Ų | 83 | 33% | 0.327 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 129 | 174.1 | 177.9 | 0 | 0 | 0 | 0 | 110.1 | W157 S166 V185 M186 L187 | W157-V168 HydrophobicContact CB-CG2 4.3Å; W157-V168 HydrophobicContact CG-CG2 4.47Å; S166-V168 PolarHBondContact O-N 2.94Å; V168-V185 HydrophobicContact CG1-CG1 3.57Å; V168-M186 CarbonylContact C-O 3.59Å; V168-M186 VanDerWaalsContact CA-O 3.3Å; V168-M186 WeakPolarHBondContact CA-O 3.33Å; V168-L187 HydrophobicContact CG2-CD1 3.73Å |
| 169 | M | 97.5 | Very high | 96.7 | Very high | 108 Ų | 108 | 88.2 Ų | 88.2 | 53% | 0.532 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 150.7 | 176.7 | -56.4 | -170.5 | 78.4 | 0 | 0 | 110.4 | V185 M186 | M169-V185 CarbonylContact O-C 3.57Å; M169-V185 WeakPolarHBondContact O-CA 3.29Å; M169-M186 HydrophobicContact CB-CB 4.38Å; M169-M186 HydrophobicContact CB-CE 4.11Å; M169-M186 PolarHBondContact N-O 3.18Å; M169-M186 PolarHBondContact O-N 3.25Å |
| 170 | S | 96.9 | Very high | 96.8 | Very high | 68 Ų | 68 | 85.7 Ų | 85.7 | 48% | 0.476 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 145 | 175.6 | 175.9 | 0 | 0 | 0 | 0 | 110.1 | G172 T183 T184 | S170-G172 PolarHBondContact O-N 3.27Å; S170-G172 PolarHBondContact OG-N 2.99Å; S170-T183 PolarHBondContact OG-OG1 2.85Å; S170-T184 WeakPolarHBondContact CA-O 3.35Å |
| 171 | T | 95.4 | Very high | 96.9 | Very high | 78 Ų | 78 | 81.9 Ų | 81.9 | 48% | 0.479 | 45% | 0.452 | S | S | . | . | trans | -67.8 | -9.7 | 168 | 57.7 | 0 | 0 | 0 | 0 | 112.9 | T184 M186 | T171-T184 PolarHBondContact N-O 2.86Å; T171-T184 PolarHBondContact OG1-N 2.79Å; T171-M186 HydrophobicContact CG2-CE 3.94Å | ||
| 172 | G | 96.6 | Very high | 97.1 | Very high | 34 Ų | 34 | 82.2 Ų | 82.2 | 35% | 0.351 | 44% | 0.436 | S | S | . | . | trans | 74.2 | -178 | -162.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S170 T183 | S170-G172 PolarHBondContact O-N 3.27Å; S170-G172 PolarHBondContact OG-N 2.99Å; G172-T183 WeakPolarHBondContact O-CB 3.36Å; G172-T183 PolarHBondContact O-OG1 3.38Å | ||
| 173 | L | 97.8 | Very high | 97.2 | Very high | 87 Ų | 87 | 75.1 Ų | 75.1 | 46% | 0.455 | 40% | 0.403 | S | S | . | . | trans | -81.4 | 123.3 | 178.2 | -173.2 | 72.5 | 0 | 0 | 0 | 110.2 | F148 F181 | F148-L173 HydrophobicContact CE2-CD1 3.9Å; F148-L173 HydrophobicContact CZ-CD1 3.65Å; L173-F181 HydrophobicContact CD1-CB 3.7Å; L173-F181 HydrophobicContact CD1-CD1 3.89Å; L173-F181 HydrophobicContact CD1-CG 3.99Å; L173-F181 HydrophobicContact CD2-CD1 3.66Å; L173-F181 HydrophobicContact CD2-CE1 3.8Å; L173-F181 HydrophobicContact CD2-CG 4.34Å; L173-F181 HydrophobicContact CG-CB 4.37Å; L173-F181 HydrophobicContact CG-CD1 3.63Å; L173-F181 HydrophobicContact CG-CE1 4.25Å; L173-F181 HydrophobicContact CG-CG 4.26Å | ||
| 174 | V | 98.2 | Very high | 97.2 | Very high | 61 Ų | 61 | 72.9 Ų | 72.9 | 37% | 0.37 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 130.9 | 176.6 | 180 | 0 | 0 | 0 | 0 | 109.1 | F181 Q182 | V174-F181 VanDerWaalsContact O-CA 3.25Å; V174-F181 WeakPolarHBondContact O-CA 3.04Å; V174-Q182 HydrophobicContact CB-CG 3.72Å; V174-Q182 HydrophobicContact CG1-CG 4.11Å; V174-Q182 HydrophobicContact CG2-CG 4.49Å; V174-Q182 PolarHBondContact N-O 3.13Å; V174-Q182 PolarHBondContact O-N 2.96Å |
| 175 | R | 98 | Very high | 97.3 | Very high | 182 Ų | 182 | 70.5 Ų | 70.5 | 69% | 0.687 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 121.8 | 175.4 | -176.1 | -173.1 | -63.6 | -89.1 | 0.1 | 109.4 | F181 | R175-F181 HydrophobicContact CB-CD1 4.17Å; R175-F181 HydrophobicContact CB-CE1 3.99Å; R175-F181 HydrophobicContact CG-CE1 4.09Å |
| 176 | N | 97.6 | Very high | 97.4 | Very high | 56 Ų | 56 | 63.3 Ų | 63.3 | 30% | 0.299 | 36% | 0.358 | S | S | . | . | trans | -79.3 | -20.9 | -175.2 | -66.8 | -21.2 | 0 | 0 | 0 | 113.7 | D178 T180 Q182 | N176-D178 VanDerWaalsContact CB-OD1 3.23Å; N176-D178 WeakPolarHBondContact CB-OD1 3.31Å; N176-T180 PolarHBondContact N-O 3.47Å; N176-T180 VanDerWaalsContact N-O 3.16Å; N176-T180 PolarHBondContact ND2-OG1 3.23Å; N176-Q182 PolarHBondContact OD1-NE2 2.96Å | ||
| 177 | G | 96.8 | Very high | 97.5 | Very high | 67 Ų | 67 | 58.8 Ų | 58.8 | 69% | 0.691 | 33% | 0.327 | S | S | * | . | S | Bend | trans | 90.2 | -1.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 178 | D | 97.3 | Very high | 97.7 | Very high | 93 Ų | 93 | 63.3 Ų | 63.3 | 50% | 0.497 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -114.7 | 22.2 | -179.4 | 66.3 | -5.3 | 0 | 0 | 0 | 113 | N176 T180 | N176-D178 VanDerWaalsContact CB-OD1 3.23Å; N176-D178 WeakPolarHBondContact CB-OD1 3.31Å; D178-T180 VanDerWaalsContact C-N 3.31Å; D178-T180 WeakPolarHBondContact OD1-CB 3.42Å; D178-T180 PolarHBondContact OD1-N 3.45Å; D178-T180 PolarHBondContact OD1-OG1 3.46Å |
| 179 | W | 96.9 | Very high | 97.5 | Very high | 145 Ų | 145 | 61.1 Ų | 61.1 | 55% | 0.549 | 33% | 0.328 | S | S | . | . | S | Bend | trans | 66.9 | 26.2 | -173.7 | -61.9 | 72.6 | 0 | 0 | 0 | 115 | T116 Y149 | T116-W179 HydrophobicContact CG2-CH2 3.89Å; T116-W179 HydrophobicContact CG2-CZ3 3.97Å; Y149-W179 WeakPolarHBondContact CD2-O 3.35Å; Y149-W179 AromaticContact CE2-CE3 3.96Å; Y149-W179 HydrophobicContact CE2-CE3 3.96Å |
| 180 | T | 98.1 | Very high | 97.3 | Very high | 15 Ų | 15 | 59.3 Ų | 59.3 | 9% | 0.092 | 32% | 0.32 | C | S | . | . | trans | -124 | 164 | 165.7 | 70.3 | 0 | 0 | 0 | 0 | 111.7 | F148 N176 D178 | F148-T180 CarbonylContact O-C 3.57Å; F148-T180 WeakPolarHBondContact O-CA 3.49Å; N176-T180 PolarHBondContact N-O 3.47Å; N176-T180 VanDerWaalsContact N-O 3.16Å; N176-T180 PolarHBondContact ND2-OG1 3.23Å; D178-T180 VanDerWaalsContact C-N 3.31Å; D178-T180 WeakPolarHBondContact OD1-CB 3.42Å; D178-T180 PolarHBondContact OD1-N 3.45Å; D178-T180 PolarHBondContact OD1-OG1 3.46Å | ||
| 181 | F | 98.6 | Very high | 97.1 | Very high | 13 Ų | 13 | 56.1 Ų | 56.1 | 6% | 0.057 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 161.3 | 174.7 | -63.9 | -87.9 | 0 | 0 | 0 | 110.6 | D147 F148 Y149 L173 V174 R175 | D147-F181 PolarHBondContact N-O 3.4Å; D147-F181 VanDerWaalsContact N-O 3.16Å; F148-F181 VanDerWaalsContact CD1-O 3.3Å; F148-F181 WeakPolarHBondContact CD1-O 3.11Å; F148-F181 HydrophobicContact CD2-CB 4.14Å; F148-F181 HydrophobicContact CE1-CB 4.24Å; F148-F181 WeakPolarHBondContact CE1-O 3.43Å; F148-F181 HydrophobicContact CE2-CB 3.74Å; F148-F181 HydrophobicContact CZ-CB 3.79Å; F148-F181 PolarHBondContact N-O 3Å; F148-F181 PolarHBondContact O-N 2.73Å; Y149-F181 HydrophobicContact CD2-CD2 4.02Å; Y149-F181 AromaticContact CD2-CE2 3.59Å; Y149-F181 HydrophobicContact CD2-CE2 3.59Å; Y149-F181 AromaticContact CE2-CE2 3.85Å; Y149-F181 HydrophobicContact CE2-CE2 3.85Å; L173-F181 HydrophobicContact CD1-CB 3.7Å; L173-F181 HydrophobicContact CD1-CD1 3.89Å; L173-F181 HydrophobicContact CD1-CG 3.99Å; L173-F181 HydrophobicContact CD2-CD1 3.66Å; L173-F181 HydrophobicContact CD2-CE1 3.8Å; L173-F181 HydrophobicContact CD2-CG 4.34Å; L173-F181 HydrophobicContact CG-CB 4.37Å; L173-F181 HydrophobicContact CG-CD1 3.63Å; L173-F181 HydrophobicContact CG-CE1 4.25Å; L173-F181 HydrophobicContact CG-CG 4.26Å; V174-F181 VanDerWaalsContact O-CA 3.25Å; V174-F181 WeakPolarHBondContact O-CA 3.04Å; R175-F181 HydrophobicContact CB-CD1 4.17Å; R175-F181 HydrophobicContact CB-CE1 3.99Å; R175-F181 HydrophobicContact CG-CE1 4.09Å |
| 182 | Q | 98.4 | Very high | 96.9 | Very high | 73 Ų | 73 | 57.9 Ų | 57.9 | 34% | 0.341 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 155.5 | 168.6 | 64.9 | -179.4 | -58.4 | 0 | 0 | 110.7 | V145 T146 V174 N176 | V145-Q182 CarbonylContact O-C 3.59Å; V145-Q182 VanDerWaalsContact O-CA 3.26Å; V145-Q182 WeakPolarHBondContact O-CA 3.41Å; T146-Q182 HydrophobicContact CG2-CB 4.12Å; V174-Q182 HydrophobicContact CB-CG 3.72Å; V174-Q182 HydrophobicContact CG1-CG 4.11Å; V174-Q182 HydrophobicContact CG2-CG 4.49Å; V174-Q182 PolarHBondContact N-O 3.13Å; V174-Q182 PolarHBondContact O-N 2.96Å; N176-Q182 PolarHBondContact OD1-NE2 2.96Å |
| 183 | T | 98.6 | Very high | 96.6 | Very high | 8 Ų | 8 | 62 Ų | 62 | 5% | 0.049 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 146.5 | 169.8 | -168.3 | 0 | 0 | 0 | 0 | 109.5 | V145 F148 I153 V155 S170 G172 | V145-T183 HydrophobicContact CB-CG2 4.14Å; V145-T183 PolarHBondContact N-O 3.07Å; V145-T183 PolarHBondContact O-N 2.81Å; F148-T183 HydrophobicContact CE1-CG2 4.34Å; F148-T183 HydrophobicContact CZ-CG2 4.25Å; I153-T183 HydrophobicContact CG2-CG2 4.41Å; V155-T183 HydrophobicContact CG2-CG2 4.3Å; S170-T183 PolarHBondContact OG-OG1 2.85Å; G172-T183 WeakPolarHBondContact O-CB 3.36Å; G172-T183 PolarHBondContact O-OG1 3.38Å |
| 184 | T | 98.6 | Very high | 96.2 | Very high | 20 Ų | 20 | 60.2 Ų | 60.2 | 12% | 0.123 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 123.2 | 173.6 | -60.7 | 0 | 0 | 0 | 0 | 108.6 | L142 C143 S170 T171 M186 | L142-T184 HydrophobicContact CB-CG2 4.16Å; L142-T184 HydrophobicContact CD2-CG2 4.13Å; L142-T184 HydrophobicContact CG-CG2 4.24Å; C143-T184 WeakPolarHBondContact O-CA 2.99Å; S170-T184 WeakPolarHBondContact CA-O 3.35Å; T171-T184 PolarHBondContact N-O 2.86Å; T171-T184 PolarHBondContact OG1-N 2.79Å; T184-M186 HydrophobicContact CG2-CG 4.23Å |
| 185 | V | 98.5 | Very high | 96 | Very high | 9 Ų | 9 | 57.8 Ų | 57.8 | 6% | 0.055 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 115 | 174.5 | -174.1 | 0 | 0 | 0 | 0 | 109 | C143 V155 W157 V168 M169 | C143-V185 PolarHBondContact N-O 2.91Å; C143-V185 PolarHBondContact O-N 2.92Å; V155-V185 HydrophobicContact CB-CG2 3.74Å; V155-V185 HydrophobicContact CG1-CB 3.83Å; V155-V185 HydrophobicContact CG1-CG1 4.45Å; V155-V185 HydrophobicContact CG1-CG2 3.55Å; V155-V185 HydrophobicContact CG2-CG2 4.38Å; W157-V185 PolarHBondContact NE1-O 2.98Å; W157-V185 VanDerWaalsContact NE1-O 3.17Å; V168-V185 HydrophobicContact CG1-CG1 3.57Å; M169-V185 CarbonylContact O-C 3.57Å; M169-V185 WeakPolarHBondContact O-CA 3.29Å |
| 186 | M | 98.3 | Very high | 95.9 | Very high | 40 Ų | 40 | 51.6 Ų | 51.6 | 20% | 0.197 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 145.5 | -177.8 | -65.8 | 147.1 | -71.3 | 0 | 0 | 110.4 | L141 L142 V168 M169 T171 T184 | L141-M186 CarbonylContact O-C 3.59Å; L141-M186 VanDerWaalsContact O-CA 3.29Å; L141-M186 WeakPolarHBondContact O-CA 3.37Å; L142-M186 HydrophobicContact CG-CG 3.98Å; V168-M186 CarbonylContact C-O 3.59Å; V168-M186 VanDerWaalsContact CA-O 3.3Å; V168-M186 WeakPolarHBondContact CA-O 3.33Å; M169-M186 HydrophobicContact CB-CB 4.38Å; M169-M186 HydrophobicContact CB-CE 4.11Å; M169-M186 PolarHBondContact N-O 3.18Å; M169-M186 PolarHBondContact O-N 3.25Å; T171-M186 HydrophobicContact CG2-CE 3.94Å; T184-M186 HydrophobicContact CG2-CG 4.23Å |
| 187 | L | 98.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 122.8 | 171.5 | 173.7 | 65.5 | 0 | 0 | 0 | 109.6 | L140 L141 W157 E164 V168 M189 Y197 | L140-L187 WeakPolarHBondContact CA-O 3.23Å; L141-L187 PolarHBondContact N-O 3.23Å; L141-L187 PolarHBondContact O-N 3.1Å; W157-L187 HydrophobicContact CB-CD2 4.25Å; W157-L187 HydrophobicContact CD2-CB 3.97Å; W157-L187 HydrophobicContact CD2-CD2 4.06Å; W157-L187 HydrophobicContact CE3-CD2 4.19Å; W157-L187 HydrophobicContact CG-CB 3.99Å; W157-L187 HydrophobicContact CG-CD2 4.11Å; W157-L187 HydrophobicContact CZ2-CB 4.35Å; E164-L187 HydrophobicContact CB-CD1 4.44Å; E164-L187 HydrophobicContact CG-CD1 3.58Å; E164-L187 HydrophobicContact CG-CD2 4.37Å; V168-L187 HydrophobicContact CG2-CD1 3.73Å; L187-M189 PolarHBondContact O-N 3.04Å; L187-Y197 HydrophobicContact CD2-CD1 3.63Å; L187-Y197 HydrophobicContact CD2-CE1 3.93Å |
| 188 | E | 97.4 | Very high | 96 | Very high | 118 Ų | 118 | 46.8 Ų | 46.8 | 55% | 0.551 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 124.9 | 165.7 | -69.1 | 180 | 179.6 | 0 | 0 | 110 | L140 G167 | L140-E188 HydrophobicContact CD2-CB 4.36Å; L140-E188 HydrophobicContact CD2-CG 3.63Å; G167-E188 PolarHBondContact O-N 3.02Å |
| 189 | M | 93.7 | Very high | 96 | Very high | 7 Ų | 7 | 42.4 Ų | 42.4 | 3% | 0.034 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 154.7 | -178.3 | 65.1 | 167.6 | -177 | 0 | 0 | 113 | P129 H138 N139 L141 L187 P191 Y197 W214 | P129-M189 HydrophobicContact CB-CE 4.33Å; H138-M189 WeakPolarHBondContact CA-O 3.47Å; N139-M189 HydrophobicContact CB-CE 4.12Å; N139-M189 HydrophobicContact CB-CG 4.49Å; N139-M189 PolarHBondContact N-O 3.03Å; N139-M189 PolarHBondContact O-N 2.03Å; N139-M189 VanDerWaalsContact O-O 3.1Å; L141-M189 HydrophobicContact CB-CE 3.84Å; L141-M189 HydrophobicContact CB-CG 4.45Å; L141-M189 HydrophobicContact CB-SD 3.85Å; L141-M189 HydrophobicContact CD1-CE 3.88Å; L141-M189 HydrophobicContact CD1-SD 4.49Å; L141-M189 HydrophobicContact CD2-SD 4.27Å; L141-M189 HydrophobicContact CG-CE 4.34Å; L141-M189 HydrophobicContact CG-SD 4.44Å; L187-M189 PolarHBondContact O-N 3.04Å; M189-P191 HydrophobicContact SD-CB 4.43Å; M189-Y197 HydrophobicContact CB-CE1 4.02Å; M189-Y197 HydrophobicContact SD-CD2 4.35Å; M189-Y197 HydrophobicContact SD-CE1 4.27Å; M189-Y197 HydrophobicContact SD-CE2 3.96Å; M189-W214 HydrophobicContact CE-CH2 3.87Å; M189-W214 HydrophobicContact CE-CZ2 4.46Å; M189-W214 HydrophobicContact CE-CZ3 3.9Å; M189-W214 HydrophobicContact SD-CE3 4.5Å; M189-W214 HydrophobicContact SD-CH2 4.42Å; M189-W214 HydrophobicContact SD-CZ3 3.91Å |
| 190 | I | 94.1 | Very high | 96.1 | Very high | 70 Ų | 70 | 36.9 Ų | 36.9 | 36% | 0.359 | 20% | 0.201 | S | C | . | . | trans | -122.3 | 97.7 | 163.9 | -56.3 | 172.9 | 0 | 0 | 0 | 104.7 | H138 E192 | H138-I190 WeakPolarHBondContact CE1-CD1 3.44Å; H138-I190 WeakPolarHBondContact ND1-CG1 3.4Å; I190-E192 PolarHBondContact O-N 2.88Å | ||
| 191 | P | 91.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -72.5 | 129.4 | -169.4 | 28.1 | -31.6 | 0 | 0 | 0 | 110.8 | L135 Q136 Q137 M189 W214 A216 | L135-P191 WeakPolarHBondContact CA-O 3.42Å; Q136-P191 PolarHBondContact N-O 3.31Å; Q137-P191 WeakPolarHBondContact O-CD 3.4Å; M189-P191 HydrophobicContact SD-CB 4.43Å; P191-W214 HydrophobicContact CB-CH2 4.24Å; P191-W214 HydrophobicContact CB-CZ3 4.35Å; P191-A216 HydrophobicContact CB-CB 3.81Å |
| 192 | E | 91.6 | Very high | 96.1 | Very high | 115 Ų | 115 | 39.1 Ų | 39.1 | 54% | 0.537 | 21% | 0.21 | S | C | . | . | P | Polyproline II helix | trans | -101 | 151.7 | 168.6 | -59.7 | -179.5 | -162.5 | 0 | 0 | 110.2 | R159 I190 G194 D195 A216 | R159-E192 IonicContact NH2-OE1 3.15Å; I190-E192 PolarHBondContact O-N 2.88Å; E192-G194 PolarHBondContact O-N 2.85Å; E192-D195 WeakPolarHBondContact CB-OD2 3.31Å; E192-D195 PolarHBondContact N-OD2 3.04Å; E192-D195 WeakPolarHBondContact O-CB 3.27Å; E192-D195 PolarHBondContact O-N 2.77Å; E192-A216 WeakPolarHBondContact O-CB 3.19Å |
| 193 | L | 90.8 | Very high | 96.1 | Very high | 122 Ų | 122 | 36.2 Ų | 36.2 | 64% | 0.639 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 124 | -177 | -177.7 | 68.1 | 0 | 0 | 0 | 110.5 | L135 | L135-L193 HydrophobicContact CD1-CB 4.12Å; L135-L193 HydrophobicContact CD1-CD1 4.32Å; L135-L193 HydrophobicContact CD2-CB 4.4Å |
| 194 | G | 89.3 | Confident | 96.1 | Very high | 48 Ų | 48 | 39.7 Ų | 39.7 | 50% | 0.495 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | -2.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | E192 V196 A216 | E192-G194 PolarHBondContact O-N 2.85Å; G194-V196 PolarHBondContact O-N 3.16Å; G194-A216 PolarHBondContact N-O 2.7Å |
| 195 | D | 94 | Very high | 95.9 | Very high | 10 Ų | 10 | 39.9 Ų | 39.9 | 5% | 0.053 | 23% | 0.226 | C | C | . | . | trans | -58.1 | 135.8 | 168.4 | -84.7 | -37.6 | 0 | 0 | 0 | 110.6 | R159 N160 E192 Y197 V215 A216 | R159-D195 IonicContact CZ-OD1 2.77Å; R159-D195 IonicContact CZ-OD2 3.92Å; R159-D195 IonicContact NE-OD1 3.94Å; R159-D195 PolarHBondContact NE-OD1 3.47Å; R159-D195 IonicContact NE-OD2 2.84Å; R159-D195 PolarHBondContact NE-OD2 3.39Å; R159-D195 IonicContact NH2-OD1 2.65Å; R159-D195 PolarHBondContact NH2-OD1 3.11Å; R159-D195 IonicContact NH2-OD2 3.78Å; R159-D195 PolarHBondContact NH2-OD2 3.26Å; N160-D195 PolarHBondContact ND2-OD1 3.35Å; E192-D195 WeakPolarHBondContact CB-OD2 3.31Å; E192-D195 PolarHBondContact N-OD2 3.04Å; E192-D195 WeakPolarHBondContact O-CB 3.27Å; E192-D195 PolarHBondContact O-N 2.77Å; D195-Y197 HydrophobicContact CB-CD2 4.2Å; D195-Y197 HydrophobicContact CB-CE2 3.54Å; D195-Y197 PolarHBondContact OD2-OH 3.41Å; D195-V215 WeakPolarHBondContact O-CA 3.26Å; D195-A216 HydrophobicContact CB-CB 3.99Å; D195-A216 PolarHBondContact O-N 2.77Å | ||
| 196 | V | 96 | Very high | 95.9 | Very high | 52 Ų | 52 | 41.1 Ų | 41.1 | 32% | 0.315 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 113.5 | 174.5 | -175.1 | 0 | 0 | 0 | 0 | 108.7 | R159 N160 G194 A213 V215 | R159-V196 WeakPolarHBondContact CA-O 3.31Å; N160-V196 PolarHBondContact N-O 2.91Å; N160-V196 PolarHBondContact OD1-N 3.04Å; G194-V196 PolarHBondContact O-N 3.16Å; V196-A213 HydrophobicContact CG1-CB 4.31Å; V196-V215 HydrophobicContact CG1-CG2 4.39Å; V196-V215 HydrophobicContact CG2-CG1 4.46Å; V196-V215 HydrophobicContact CG2-CG2 4.2Å |
| 197 | Y | 97.1 | Very high | 95.8 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 142.3 | 172.6 | -62.1 | -94 | 0 | 0 | 0 | 108.9 | L141 F158 R159 L187 M189 D195 A213 W214 | L141-Y197 VanDerWaalsContact CD2-CB 3.44Å; L141-Y197 HydrophobicContact CD2-CD1 4.32Å; L141-Y197 HydrophobicContact CD2-CD2 4.45Å; L141-Y197 HydrophobicContact CD2-CG 3.84Å; F158-Y197 CarbonylContact O-C 3.53Å; F158-Y197 VanDerWaalsContact O-CA 3.28Å; F158-Y197 WeakPolarHBondContact O-CA 3.48Å; R159-Y197 HydrophobicContact CB-CD1 4.2Å; R159-Y197 HydrophobicContact CB-CE1 4.2Å; R159-Y197 HydrophobicContact CG-CD1 4.15Å; R159-Y197 HydrophobicContact CG-CE1 3.81Å; R159-Y197 PolarHBondContact NE-OH 2.83Å; L187-Y197 HydrophobicContact CD2-CD1 3.63Å; L187-Y197 HydrophobicContact CD2-CE1 3.93Å; M189-Y197 HydrophobicContact CB-CE1 4.02Å; M189-Y197 HydrophobicContact SD-CD2 4.35Å; M189-Y197 HydrophobicContact SD-CE1 4.27Å; M189-Y197 HydrophobicContact SD-CE2 3.96Å; D195-Y197 HydrophobicContact CB-CD2 4.2Å; D195-Y197 HydrophobicContact CB-CE2 3.54Å; D195-Y197 PolarHBondContact OD2-OH 3.41Å; Y197-A213 CarbonylContact O-C 3.55Å; Y197-A213 VanDerWaalsContact O-CA 3.26Å; Y197-A213 WeakPolarHBondContact O-CA 3.44Å; Y197-W214 AromaticContact CD2-CE3 3.58Å; Y197-W214 HydrophobicContact CD2-CE3 3.58Å; Y197-W214 AromaticContact CD2-CZ3 3.69Å; Y197-W214 HydrophobicContact CD2-CZ3 3.69Å; Y197-W214 HydrophobicContact CE2-CE3 4.26Å; Y197-W214 AromaticContact CE2-CZ3 3.89Å; Y197-W214 HydrophobicContact CE2-CZ3 3.89Å; Y197-W214 HydrophobicContact CG-CE3 4.3Å; Y197-W214 PolarHBondContact N-O 3.37Å; Y197-W214 PolarHBondContact O-N 2.9Å |
| 198 | S | 98 | Very high | 95.8 | Very high | 21 Ų | 21 | 58 Ų | 58 | 15% | 0.147 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 128.5 | 178.9 | -64.8 | 0 | 0 | 0 | 0 | 110.6 | W157 F158 V212 | W157-S198 CarbonylContact C-O 3.6Å; F158-S198 PolarHBondContact N-O 3.32Å; F158-S198 PolarHBondContact O-N 3.06Å; S198-V212 WeakPolarHBondContact CA-O 3.28Å |
| 199 | C | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 114.8 | 170.3 | -178.1 | 0 | 0 | 0 | 0 | 108.9 | V127 C143 V155 W157 S211 V212 | V127-C199 HydrophobicContact CG2-CB 3.64Å; C143-C199 HydrophobicContact CB-CB 3.57Å; C143-C199 WeakPolarHBondContact CB-SG 3.42Å; C143-C199 WeakPolarHBondContact SG-CB 3.19Å; C143-C199 CovalentContact SG-SG 2.02Å; C143-C199 PolarHBondContact SG-SG 2.65Å; V155-C199 VanDerWaalsContact CG1-SG 3.54Å; W157-C199 HydrophobicContact CE3-CB 4.2Å; W157-C199 HydrophobicContact CH2-CB 4.01Å; W157-C199 HydrophobicContact CZ2-CB 4.43Å; W157-C199 HydrophobicContact CZ3-CB 3.88Å; C199-S211 WeakPolarHBondContact O-CA 3.16Å; C199-V212 PolarHBondContact N-O 3.4Å; C199-V212 PolarHBondContact O-N 2.75Å |
| 200 | L | 98.6 | Very high | 96 | Very high | 29 Ų | 29 | 57.8 Ų | 57.8 | 15% | 0.152 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 123.1 | 178 | -175.7 | 71.2 | 0 | 0 | 0 | 109.6 | V155 R156 F158 P209 V210 | V155-L200 WeakPolarHBondContact CA-O 3.39Å; R156-L200 PolarHBondContact N-O 2.91Å; R156-L200 VanDerWaalsContact NH2-CD2 3.26Å; R156-L200 PolarHBondContact O-N 3.2Å; F158-L200 HydrophobicContact CD2-CB 4.05Å; F158-L200 HydrophobicContact CE2-CB 3.8Å; F158-L200 HydrophobicContact CE2-CD2 3.66Å; F158-L200 HydrophobicContact CE2-CG 4.4Å; F158-L200 HydrophobicContact CZ-CD2 4.07Å; L200-P209 HydrophobicContact CD1-CB 3.73Å; L200-P209 HydrophobicContact CG-CB 4.39Å; L200-V210 CarbonylContact C-O 3.48Å; L200-V210 WeakPolarHBondContact CA-O 3.45Å |
| 201 | V | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 126.6 | -177.6 | -178.5 | 0 | 0 | 0 | 0 | 110 | P123 V125 V145 I153 S154 V155 L206 P209 V210 | P123-V201 HydrophobicContact CG-CG1 4.02Å; V125-V201 HydrophobicContact CG1-CG2 3.9Å; V125-V201 HydrophobicContact CG2-CB 4.1Å; V125-V201 HydrophobicContact CG2-CG1 4.31Å; V125-V201 HydrophobicContact CG2-CG2 3.77Å; V145-V201 HydrophobicContact CG1-CG1 4.18Å; V145-V201 HydrophobicContact CG2-CG2 3.94Å; I153-V201 HydrophobicContact CD1-CG1 3.82Å; I153-V201 HydrophobicContact CG1-CG1 4.08Å; S154-V201 CarbonylContact O-C 3.59Å; S154-V201 WeakPolarHBondContact O-CA 3.49Å; V155-V201 HydrophobicContact CG1-CG2 4.26Å; V155-V201 HydrophobicContact CG2-CG1 4.44Å; V155-V201 HydrophobicContact CG2-CG2 4.28Å; V201-L206 HydrophobicContact CG1-CD1 4.44Å; V201-P209 CarbonylContact O-C 3.56Å; V201-P209 VanDerWaalsContact O-CA 3.31Å; V201-P209 WeakPolarHBondContact O-CA 3.37Å; V201-V210 PolarHBondContact N-O 3.47Å; V201-V210 PolarHBondContact O-N 2.89Å |
| 202 | E | 98.6 | Very high | 96.4 | Very high | 75 Ų | 75 | 59.9 Ų | 59.9 | 35% | 0.35 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 128.1 | 173 | -53.8 | 178.5 | -172.6 | 0 | 0 | 109 | I153 S154 R156 P209 | I153-E202 WeakPolarHBondContact CG1-O 3.42Å; S154-E202 PolarHBondContact N-O 2.93Å; S154-E202 PolarHBondContact O-N 3.39Å; R156-E202 IonicContact CZ-OE1 2.91Å; R156-E202 IonicContact NH2-OE1 3.72Å; R156-E202 PolarHBondContact NH2-OE1 3.36Å; E202-P209 HydrophobicContact CG-CB 3.94Å; E202-P209 HydrophobicContact CG-CG 3.93Å |
| 203 | H | 98.6 | Very high | 96.7 | Very high | 12 Ų | 12 | 57.4 Ų | 57.4 | 6% | 0.056 | 33% | 0.333 | C | S | . | . | trans | -151.9 | 143 | -175.9 | -179.8 | -97.2 | 0 | 0 | 0 | 109.7 | V121 P123 F148 Y149 P150 D152 I153 G205 L206 | V121-H203 PolarHBondContact O-CE1 3.05Å; P123-H203 HydrophobicContact CG-CB 4.2Å; F148-H203 AromaticContact CD2-CD2 3.79Å; F148-H203 AromaticContact CD2-NE2 3.64Å; Y149-H203 PolarHBondContact O-CE1 3.05Å; P150-H203 PolarHBondContact O-NE2 3.35Å; D152-H203 PolarHBondContact O-CD2 3.13Å; D152-H203 VanDerWaalsContact O-CD2 3.27Å; I153-H203 HydrophobicContact CD1-CB 4.36Å; I153-H203 HydrophobicContact CG1-CB 4.18Å; H203-G205 PolarHBondContact CE1-N 2.81Å; H203-G205 WeakPolarHBondContact ND1-CA 3.39Å; H203-G205 PolarHBondContact ND1-N 2.85Å; H203-G205 PolarHBondContact O-N 3.49Å; H203-G205 VanDerWaalsContact O-N 3.13Å; H203-L206 HydrophobicContact CB-CD1 4.02Å; H203-L206 HydrophobicContact CB-CG 4.19Å; H203-L206 WeakPolarHBondContact O-CB 3.34Å; H203-L206 PolarHBondContact O-N 2.92Å | ||
| 204 | P | 97.3 | Very high | 96.9 | Very high | 82 Ų | 82 | 53.5 Ų | 53.5 | 53% | 0.532 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -25.7 | 179.9 | -28.1 | 36.4 | 0 | 0 | 0 | 115.3 | P150 D152 L206 | P150-P204 HydrophobicContact CG-CG 4.37Å; D152-P204 WeakPolarHBondContact O-CD 3.31Å; P204-L206 VanDerWaalsContact C-N 3.26Å; P204-L206 PolarHBondContact O-N 3.25Å |
| 205 | G | 95.4 | Very high | 97.1 | Very high | 24 Ų | 24 | 53.9 Ų | 53.9 | 25% | 0.247 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -8.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | H203 | H203-G205 PolarHBondContact CE1-N 2.81Å; H203-G205 WeakPolarHBondContact ND1-CA 3.39Å; H203-G205 PolarHBondContact ND1-N 2.85Å; H203-G205 PolarHBondContact O-N 3.49Å; H203-G205 VanDerWaalsContact O-N 3.13Å |
| 206 | L | 97.6 | Very high | 96.9 | Very high | 35 Ų | 35 | 53.5 Ų | 53.5 | 18% | 0.183 | 30% | 0.301 | C | S | . | . | trans | -100.6 | 132.5 | 177.4 | -63 | 172.4 | 0 | 0 | 0 | 111 | P122 P123 V201 H203 P204 R208 V210 | P122-L206 HydrophobicContact CB-CD2 3.8Å; P123-L206 HydrophobicContact CG-CD1 3.87Å; P123-L206 HydrophobicContact CG-CD2 4.45Å; P123-L206 HydrophobicContact CG-CG 4.23Å; V201-L206 HydrophobicContact CG1-CD1 4.44Å; H203-L206 HydrophobicContact CB-CD1 4.02Å; H203-L206 HydrophobicContact CB-CG 4.19Å; H203-L206 WeakPolarHBondContact O-CB 3.34Å; H203-L206 PolarHBondContact O-N 2.92Å; P204-L206 VanDerWaalsContact C-N 3.26Å; P204-L206 PolarHBondContact O-N 3.25Å; L206-R208 WeakPolarHBondContact CB-O 3.4Å; L206-R208 PolarHBondContact O-N 2.9Å; L206-V210 HydrophobicContact CD1-CB 4.18Å; L206-V210 HydrophobicContact CD1-CG2 3.8Å; L206-V210 HydrophobicContact CD2-CG2 3.82Å; L206-V210 HydrophobicContact CG-CG2 4.4Å | ||
| 207 | L | 96.7 | Very high | 96.3 | Very high | 190 Ų | 190 | 57.8 Ų | 57.8 | 100% | 0.995 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -66.2 | -28.5 | 173 | -66.9 | 175.7 | 0 | 0 | 0 | 112.9 | ||
| 208 | R | 97.2 | Very high | 94.7 | Very high | 204 Ų | 204 | 60 Ų | 60 | 77% | 0.77 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -148.5 | 154 | 178.9 | 56.7 | 178.3 | 161 | 163.7 | -3.9 | 109.3 | L206 V210 | L206-R208 WeakPolarHBondContact CB-O 3.4Å; L206-R208 PolarHBondContact O-N 2.9Å; R208-V210 PolarHBondContact O-N 2.78Å |
| 209 | P | 97.7 | Very high | 92.8 | Very high | 70 Ų | 70 | 65.9 Ų | 65.9 | 46% | 0.455 | 36% | 0.358 | S | S | . | . | trans | -54.1 | 139.4 | 175 | -24.5 | 34.3 | 0 | 0 | 0 | 111.6 | L200 V201 E202 | L200-P209 HydrophobicContact CD1-CB 3.73Å; L200-P209 HydrophobicContact CG-CB 4.39Å; V201-P209 CarbonylContact O-C 3.56Å; V201-P209 VanDerWaalsContact O-CA 3.31Å; V201-P209 WeakPolarHBondContact O-CA 3.37Å; E202-P209 HydrophobicContact CG-CB 3.94Å; E202-P209 HydrophobicContact CG-CG 3.93Å | ||
| 210 | V | 98.1 | Very high | 91 | Very high | 52 Ų | 52 | 74.8 Ų | 74.8 | 32% | 0.315 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 130.7 | 175 | 168.9 | 0 | 0 | 0 | 0 | 108.2 | V125 L200 V201 L206 R208 V212 | V125-V210 HydrophobicContact CB-CG1 4.45Å; V125-V210 HydrophobicContact CG2-CG1 4.24Å; L200-V210 CarbonylContact C-O 3.48Å; L200-V210 WeakPolarHBondContact CA-O 3.45Å; V201-V210 PolarHBondContact N-O 3.47Å; V201-V210 PolarHBondContact O-N 2.89Å; L206-V210 HydrophobicContact CD1-CB 4.18Å; L206-V210 HydrophobicContact CD1-CG2 3.8Å; L206-V210 HydrophobicContact CD2-CG2 3.82Å; L206-V210 HydrophobicContact CG-CG2 4.4Å; R208-V210 PolarHBondContact O-N 2.78Å; V210-V212 HydrophobicContact CG1-CG2 4.15Å |
| 211 | S | 97.6 | Very high | 88.9 | Confident | 73 Ų | 73 | 75.6 Ų | 75.6 | 51% | 0.51 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 118.3 | 176.4 | -175.4 | 0 | 0 | 0 | 0 | 109.6 | C199 | C199-S211 WeakPolarHBondContact O-CA 3.16Å |
| 212 | V | 98.1 | Very high | 87.2 | Confident | 42 Ų | 42 | 83.5 Ų | 83.5 | 26% | 0.255 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 122 | 175.8 | -179 | 0 | 0 | 0 | 0 | 108.7 | V125 V127 S198 C199 V210 | V125-V212 HydrophobicContact CB-CG2 3.87Å; V125-V212 HydrophobicContact CG1-CB 4.17Å; V125-V212 HydrophobicContact CG1-CG2 3.62Å; V127-V212 HydrophobicContact CB-CG1 3.99Å; V127-V212 HydrophobicContact CG2-CB 3.85Å; V127-V212 HydrophobicContact CG2-CG1 3.73Å; S198-V212 WeakPolarHBondContact CA-O 3.28Å; C199-V212 PolarHBondContact N-O 3.4Å; C199-V212 PolarHBondContact O-N 2.75Å; V210-V212 HydrophobicContact CG1-CG2 4.15Å |
| 213 | A | 96.7 | Very high | 85.5 | Confident | 63 Ų | 63 | 85.7 Ų | 85.7 | 52% | 0.521 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 142.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112 | V196 Y197 | V196-A213 HydrophobicContact CG1-CB 4.31Å; Y197-A213 CarbonylContact O-C 3.55Å; Y197-A213 VanDerWaalsContact O-CA 3.26Å; Y197-A213 WeakPolarHBondContact O-CA 3.44Å |
| 214 | W | 95.6 | Very high | 84 | Confident | 39 Ų | 39 | 92.9 Ų | 92.9 | 15% | 0.148 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 130.9 | 169.2 | -179.4 | 91.2 | 0 | 0 | 0 | 109 | V127 P133 L141 M189 P191 Y197 A216 | V127-W214 HydrophobicContact CG1-CB 3.63Å; V127-W214 HydrophobicContact CG1-CG 4.31Å; P133-W214 HydrophobicContact CB-CH2 4.14Å; P133-W214 HydrophobicContact CB-CZ2 3.98Å; P133-W214 HydrophobicContact CG-CZ2 3.96Å; L141-W214 HydrophobicContact CD1-CB 4.33Å; L141-W214 HydrophobicContact CD1-CD2 3.71Å; L141-W214 HydrophobicContact CD1-CE3 4Å; L141-W214 HydrophobicContact CD1-CG 3.83Å; L141-W214 HydrophobicContact CD2-CB 4.23Å; L141-W214 HydrophobicContact CD2-CD2 4.34Å; L141-W214 HydrophobicContact CD2-CE3 4.03Å; L141-W214 HydrophobicContact CD2-CG 4.43Å; M189-W214 HydrophobicContact CE-CH2 3.87Å; M189-W214 HydrophobicContact CE-CZ2 4.46Å; M189-W214 HydrophobicContact CE-CZ3 3.9Å; M189-W214 HydrophobicContact SD-CE3 4.5Å; M189-W214 HydrophobicContact SD-CH2 4.42Å; M189-W214 HydrophobicContact SD-CZ3 3.91Å; P191-W214 HydrophobicContact CB-CH2 4.24Å; P191-W214 HydrophobicContact CB-CZ3 4.35Å; Y197-W214 AromaticContact CD2-CE3 3.58Å; Y197-W214 HydrophobicContact CD2-CE3 3.58Å; Y197-W214 AromaticContact CD2-CZ3 3.69Å; Y197-W214 HydrophobicContact CD2-CZ3 3.69Å; Y197-W214 HydrophobicContact CE2-CE3 4.26Å; Y197-W214 AromaticContact CE2-CZ3 3.89Å; Y197-W214 HydrophobicContact CE2-CZ3 3.89Å; Y197-W214 HydrophobicContact CG-CE3 4.3Å; Y197-W214 PolarHBondContact N-O 3.37Å; Y197-W214 PolarHBondContact O-N 2.9Å; W214-A216 HydrophobicContact CH2-CB 4Å; W214-A216 HydrophobicContact CZ3-CB 3.82Å |
| 215 | V | 93.7 | Very high | 82.6 | Confident | 57 Ų | 57 | 93.2 Ų | 93.2 | 35% | 0.345 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 129.3 | -176.1 | -176 | 0 | 0 | 0 | 0 | 109.2 | D195 V196 Q217 | D195-V215 WeakPolarHBondContact O-CA 3.26Å; V196-V215 HydrophobicContact CG1-CG2 4.39Å; V196-V215 HydrophobicContact CG2-CG1 4.46Å; V196-V215 HydrophobicContact CG2-CG2 4.2Å; V215-Q217 HydrophobicContact CB-CG 4.4Å; V215-Q217 HydrophobicContact CG1-CG 4.14Å; V215-Q217 PolarHBondContact O-N 3.1Å |
| 216 | A | 90.2 | Very high | 81.7 | Confident | 2 Ų | 2 | 97.3 Ų | 97.3 | 2% | 0.017 | 49% | 0.485 | C | S | . | . | trans | -69.8 | 101.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | P191 E192 G194 D195 W214 | P191-A216 HydrophobicContact CB-CB 3.81Å; E192-A216 WeakPolarHBondContact O-CB 3.19Å; G194-A216 PolarHBondContact N-O 2.7Å; D195-A216 HydrophobicContact CB-CB 3.99Å; D195-A216 PolarHBondContact O-N 2.77Å; W214-A216 HydrophobicContact CH2-CB 4Å; W214-A216 HydrophobicContact CZ3-CB 3.82Å | ||
| 217 | Q | 82.1 | Confident | 80.9 | Confident | 141 Ų | 141 | 99.7 Ų | 99.7 | 66% | 0.659 | 50% | 0.504 | S | S | * | . | trans | -106.7 | 151.2 | 175.8 | -62.5 | 179.5 | 10.9 | 0 | 0 | 109.9 | V215 | V215-Q217 HydrophobicContact CB-CG 4.4Å; V215-Q217 HydrophobicContact CG1-CG 4.14Å; V215-Q217 PolarHBondContact O-N 3.1Å | ||
| 218 | S | 63.5 | Low | 80.2 | Confident | 48 Ų | 48 | 92.6 Ų | 92.6 | 34% | 0.336 | 48% | 0.477 | S | S | . | . | trans | -73.5 | 150 | 166 | 62 | 0 | 0 | 0 | 0 | 109.6 | Y220 | S218-Y220 PolarHBondContact O-N 2.75Š| ||
| 219 | E | 59.6 | Low | 79.7 | Confident | 146 Ų | 146 | 85.2 Ų | 85.2 | 68% | 0.682 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -56.2 | -14.2 | 168.9 | -87.7 | -169.4 | 147.2 | 0 | 0 | 113.1 | S221 | E219-S221 PolarHBondContact O-N 3.13Š|
| 220 | Y | 58.9 | Low | 79.1 | Confident | 187 Ų | 187 | 84.2 Ų | 84.2 | 73% | 0.733 | 46% | 0.457 | S | S | * | . | trans | -76 | 72.6 | 175.1 | -97.1 | -109.1 | 0 | 0 | 0 | 111.1 | S218 W222 I225 | S218-Y220 PolarHBondContact O-N 2.75Å; Y220-W222 PolarHBondContact O-N 3.39Å; Y220-I225 HydrophobicContact CD1-CD1 3.47Å; Y220-I225 VanDerWaalsContact CD1-CD1 3.47Å; Y220-I225 HydrophobicContact CE1-CD1 3.76Å | ||
| 221 | S | 56.1 | Low | 78.7 | Confident | 46 Ų | 46 | 84.7 Ų | 84.7 | 32% | 0.322 | 47% | 0.466 | S | S | . | . | trans | -66 | 110.5 | 165.1 | 175.8 | 0 | 0 | 0 | 0 | 109.2 | E219 E223 K224 I225 | E219-S221 PolarHBondContact O-N 3.13Å; S221-E223 PolarHBondContact O-N 3.4Å; S221-E223 VanDerWaalsContact O-N 3.11Å; S221-K224 PolarHBondContact O-N 3.36Å; S221-I225 PolarHBondContact O-N 2.9Å | ||
| 222 | W | 62.9 | Low | 78.4 | Confident | 166 Ų | 166 | 87.9 Ų | 87.9 | 63% | 0.629 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -53 | -28.8 | 174.1 | 69.2 | -87.3 | 0 | 0 | 0 | 112.2 | Y220 I225 L226 | Y220-W222 PolarHBondContact O-N 3.39Å; W222-I225 PolarHBondContact O-N 3.32Å; W222-L226 HydrophobicContact CE3-CD1 4.1Å; W222-L226 HydrophobicContact CZ3-CD1 4.44Å; W222-L226 HydrophobicContact CZ3-CD2 4.18Å; W222-L226 PolarHBondContact O-N 2.9Å |
| 223 | E | 62.9 | Low | 78.2 | Confident | 121 Ų | 121 | 91.1 Ų | 91.1 | 57% | 0.565 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.8 | -38.7 | 176.6 | -63.5 | -150.8 | 161.1 | 0 | 0 | 112.6 | S221 I225 L226 S227 | S221-E223 PolarHBondContact O-N 3.4Å; S221-E223 VanDerWaalsContact O-N 3.11Å; E223-I225 VanDerWaalsContact C-N 3.34Å; E223-L226 PolarHBondContact O-N 3.13Å; E223-S227 WeakPolarHBondContact O-CB 3.04Å; E223-S227 PolarHBondContact O-N 2.83Å |
| 224 | K | 66.6 | Low | 78.1 | Confident | 163 Ų | 163 | 93.8 Ų | 93.8 | 71% | 0.709 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -69 | -34.6 | 176.4 | -67.7 | -176 | 177.9 | 175.3 | 0 | 111.7 | S221 G228 | S221-K224 PolarHBondContact O-N 3.36Å; K224-G228 PolarHBondContact O-N 2.77Å |
| 225 | I | 68 | Low | 78 | Confident | 88 Ų | 88 | 93.9 Ų | 93.9 | 45% | 0.451 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.9 | -41.9 | 176.3 | -60.4 | 172.5 | 0 | 0 | 0 | 110.7 | Y220 S221 W222 E223 S227 G228 A229 | Y220-I225 HydrophobicContact CD1-CD1 3.47Å; Y220-I225 VanDerWaalsContact CD1-CD1 3.47Å; Y220-I225 HydrophobicContact CE1-CD1 3.76Å; S221-I225 PolarHBondContact O-N 2.9Å; W222-I225 PolarHBondContact O-N 3.32Å; E223-I225 VanDerWaalsContact C-N 3.34Å; I225-S227 VanDerWaalsContact C-N 3.32Å; I225-S227 PolarHBondContact O-N 2.83Å; I225-G228 PolarHBondContact O-N 2.77Å; I225-A229 VanDerWaalsContact O-CB 3.31Å; I225-A229 WeakPolarHBondContact O-CB 3.41Å; I225-A229 PolarHBondContact O-N 3.05Å |
| 226 | L | 76.5 | Confident | 78 | Confident | 111 Ų | 111 | 94.6 Ų | 94.6 | 58% | 0.581 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.1 | -42.4 | 177 | -124.4 | 87.8 | 0 | 0 | 0 | 111.2 | W222 E223 A229 A230 | W222-L226 HydrophobicContact CE3-CD1 4.1Å; W222-L226 HydrophobicContact CZ3-CD1 4.44Å; W222-L226 HydrophobicContact CZ3-CD2 4.18Å; W222-L226 PolarHBondContact O-N 2.9Å; E223-L226 PolarHBondContact O-N 3.13Å; L226-A229 PolarHBondContact O-N 2.86Å; L226-A230 VanDerWaalsContact O-CB 3.27Å; L226-A230 WeakPolarHBondContact O-CB 3.46Å; L226-A230 PolarHBondContact O-N 2.92Å |
| 227 | S | 80.9 | Confident | 78.2 | Confident | 85 Ų | 85 | 98.2 Ų | 98.2 | 59% | 0.594 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.6 | -43 | 174.4 | -176 | 0 | 0 | 0 | 0 | 112 | E223 I225 A231 | E223-S227 WeakPolarHBondContact O-CB 3.04Å; E223-S227 PolarHBondContact O-N 2.83Å; I225-S227 VanDerWaalsContact C-N 3.32Å; I225-S227 PolarHBondContact O-N 2.83Å; S227-A231 WeakPolarHBondContact O-CB 3.38Å; S227-A231 PolarHBondContact O-N 2.72Å; S227-A231 VanDerWaalsContact O-N 3.1Å |
| 228 | G | 82.4 | Confident | 78.7 | Confident | 41 Ų | 41 | 96.5 Ų | 96.5 | 42% | 0.423 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.9 | -43.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | K224 I225 A231 F232 | K224-G228 PolarHBondContact O-N 2.77Å; I225-G228 PolarHBondContact O-N 2.77Å; G228-A231 PolarHBondContact O-N 3.32Å; G228-F232 WeakPolarHBondContact O-CB 3.45Å; G228-F232 PolarHBondContact O-N 3.38Å |
| 229 | A | 85.7 | Confident | 80.2 | Confident | 48 Ų | 48 | 101.3 Ų | 101.3 | 40% | 0.397 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.1 | -40.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | I225 L226 F232 L233 | I225-A229 VanDerWaalsContact O-CB 3.31Å; I225-A229 WeakPolarHBondContact O-CB 3.41Å; I225-A229 PolarHBondContact O-N 3.05Å; L226-A229 PolarHBondContact O-N 2.86Å; A229-F232 PolarHBondContact O-N 2.97Å; A229-L233 WeakPolarHBondContact O-CB 3.32Å; A229-L233 VanDerWaalsContact O-CG 3.3Å; A229-L233 WeakPolarHBondContact O-CG 3.43Å; A229-L233 PolarHBondContact O-N 3.34Å |
| 230 | A | 86.1 | Confident | 81.8 | Confident | 49 Ų | 49 | 99.6 Ų | 99.6 | 41% | 0.405 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L226 F232 L233 L234 | L226-A230 VanDerWaalsContact O-CB 3.27Å; L226-A230 WeakPolarHBondContact O-CB 3.46Å; L226-A230 PolarHBondContact O-N 2.92Å; A230-F232 PolarHBondContact O-N 3.23Å; A230-L233 PolarHBondContact O-N 3.5Å; A230-L234 WeakPolarHBondContact O-CB 3.46Å; A230-L234 VanDerWaalsContact O-CG 3.31Å; A230-L234 WeakPolarHBondContact O-CG 3.34Å; A230-L234 PolarHBondContact O-N 3Å |
| 231 | A | 88.3 | Confident | 83.5 | Confident | 62 Ų | 62 | 95 Ų | 95 | 51% | 0.512 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.7 | -40.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S227 G228 L234 G235 | S227-A231 WeakPolarHBondContact O-CB 3.38Å; S227-A231 PolarHBondContact O-N 2.72Å; S227-A231 VanDerWaalsContact O-N 3.1Å; G228-A231 PolarHBondContact O-N 3.32Å; A231-L234 PolarHBondContact O-N 2.8Å; A231-G235 PolarHBondContact O-N 3.49Å |
| 232 | F | 91.8 | Very high | 85.1 | Confident | 140 Ų | 140 | 94.6 Ų | 94.6 | 61% | 0.614 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.2 | -42.8 | 177.5 | -173.4 | -104.6 | 0 | 0 | 0 | 112.4 | G228 A229 A230 G235 L236 | G228-F232 WeakPolarHBondContact O-CB 3.45Å; G228-F232 PolarHBondContact O-N 3.38Å; A229-F232 PolarHBondContact O-N 2.97Å; A230-F232 PolarHBondContact O-N 3.23Å; F232-G235 PolarHBondContact O-N 3.4Å; F232-L236 HydrophobicContact CD1-CD1 3.81Å; F232-L236 HydrophobicContact CD1-CG 4.44Å; F232-L236 HydrophobicContact CE1-CD1 3.39Å; F232-L236 HydrophobicContact CE1-CG 4.1Å; F232-L236 HydrophobicContact CZ-CD1 4.01Å; F232-L236 HydrophobicContact CZ-CG 4.31Å; F232-L236 PolarHBondContact O-N 3.13Å |
| 233 | L | 93.9 | Very high | 86.4 | Confident | 111 Ų | 111 | 88.4 Ų | 88.4 | 58% | 0.581 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.4 | -44.3 | 176 | -73.3 | 171.3 | 0 | 0 | 0 | 111.6 | A229 A230 G235 L236 T237 | A229-L233 WeakPolarHBondContact O-CB 3.32Å; A229-L233 VanDerWaalsContact O-CG 3.3Å; A229-L233 WeakPolarHBondContact O-CG 3.43Å; A229-L233 PolarHBondContact O-N 3.34Å; A230-L233 PolarHBondContact O-N 3.5Å; L233-G235 VanDerWaalsContact C-N 3.33Å; L233-G235 PolarHBondContact O-N 3.38Å; L233-L236 PolarHBondContact O-N 3.39Å; L233-T237 WeakPolarHBondContact O-CG2 3.49Å; L233-T237 PolarHBondContact O-N 3.29Å |
| 234 | L | 94.3 | Very high | 87.7 | Confident | 119 Ų | 119 | 86.4 Ų | 86.4 | 62% | 0.623 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59 | -45.4 | 173.9 | -73 | 170 | 0 | 0 | 0 | 111.1 | A230 A231 L236 T237 V238 | A230-L234 WeakPolarHBondContact O-CB 3.46Å; A230-L234 VanDerWaalsContact O-CG 3.31Å; A230-L234 WeakPolarHBondContact O-CG 3.34Å; A230-L234 PolarHBondContact O-N 3Å; A231-L234 PolarHBondContact O-N 2.8Å; L234-L236 PolarHBondContact O-N 2.97Å; L234-T237 PolarHBondContact O-N 3.34Å; L234-T237 PolarHBondContact O-OG1 2.82Å; L234-V238 WeakPolarHBondContact O-CG2 3.29Å; L234-V238 PolarHBondContact O-N 3.03Å; L234-V238 VanDerWaalsContact O-N 3.14Å |
| 235 | G | 92.8 | Very high | 88.8 | Confident | 40 Ų | 40 | 83.9 Ų | 83.9 | 41% | 0.412 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.1 | -44.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A231 F232 L233 T237 V238 F239 | A231-G235 PolarHBondContact O-N 3.49Å; F232-G235 PolarHBondContact O-N 3.4Å; L233-G235 VanDerWaalsContact C-N 3.33Å; L233-G235 PolarHBondContact O-N 3.38Å; G235-T237 PolarHBondContact O-N 2.83Å; G235-V238 PolarHBondContact O-N 2.87Å; G235-F239 WeakPolarHBondContact O-CB 3.21Å; G235-F239 PolarHBondContact O-N 3.48Å |
| 236 | L | 95.5 | Very high | 89.6 | Confident | 72 Ų | 72 | 85.1 Ų | 85.1 | 38% | 0.377 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 176.9 | -81.5 | 172.2 | 0 | 0 | 0 | 112.5 | F232 L233 L234 F239 L240 | F232-L236 HydrophobicContact CD1-CD1 3.81Å; F232-L236 HydrophobicContact CD1-CG 4.44Å; F232-L236 HydrophobicContact CE1-CD1 3.39Å; F232-L236 HydrophobicContact CE1-CG 4.1Å; F232-L236 HydrophobicContact CZ-CD1 4.01Å; F232-L236 HydrophobicContact CZ-CG 4.31Å; F232-L236 PolarHBondContact O-N 3.13Å; L233-L236 PolarHBondContact O-N 3.39Å; L234-L236 PolarHBondContact O-N 2.97Å; L236-F239 PolarHBondContact O-N 3.34Å; L236-L240 WeakPolarHBondContact O-CB 3.44Å; L236-L240 VanDerWaalsContact O-CG 3.3Å; L236-L240 WeakPolarHBondContact O-CG 3.18Å; L236-L240 PolarHBondContact O-N 2.87Å |
| 237 | T | 93.4 | Very high | 90.1 | Very high | 78 Ų | 78 | 84.9 Ų | 84.9 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 177.6 | 61.1 | 0 | 0 | 0 | 0 | 112.2 | L233 L234 G235 F239 L240 V241 | L233-T237 WeakPolarHBondContact O-CG2 3.49Å; L233-T237 PolarHBondContact O-N 3.29Å; L234-T237 PolarHBondContact O-N 3.34Å; L234-T237 PolarHBondContact O-OG1 2.82Å; G235-T237 PolarHBondContact O-N 2.83Å; T237-F239 VanDerWaalsContact C-N 3.34Å; T237-F239 PolarHBondContact O-N 2.83Å; T237-L240 PolarHBondContact O-N 3.01Å; T237-V241 VanDerWaalsContact O-CG2 3.28Å; T237-V241 WeakPolarHBondContact O-CG2 3.35Å; T237-V241 PolarHBondContact O-N 3.38Å |
| 238 | V | 93.3 | Very high | 90 | Very high | 105 Ų | 105 | 88 Ų | 88 | 64% | 0.636 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.7 | -42.1 | 177.1 | 174.7 | 0 | 0 | 0 | 0 | 110.7 | L234 G235 V241 G242 | L234-V238 WeakPolarHBondContact O-CG2 3.29Å; L234-V238 PolarHBondContact O-N 3.03Å; L234-V238 VanDerWaalsContact O-N 3.14Å; G235-V238 PolarHBondContact O-N 2.87Å; V238-V241 PolarHBondContact O-N 3.4Å; V238-G242 PolarHBondContact O-N 2.85Å |
| 239 | F | 93.9 | Very high | 89.7 | Confident | 150 Ų | 150 | 88.8 Ų | 88.8 | 66% | 0.658 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.4 | -46.2 | 177.7 | -177.2 | -98.8 | 0 | 0 | 0 | 112.3 | G235 L236 T237 G242 A243 | G235-F239 WeakPolarHBondContact O-CB 3.21Å; G235-F239 PolarHBondContact O-N 3.48Å; L236-F239 PolarHBondContact O-N 3.34Å; T237-F239 VanDerWaalsContact C-N 3.34Å; T237-F239 PolarHBondContact O-N 2.83Å; F239-G242 PolarHBondContact O-N 3.25Å; F239-A243 WeakPolarHBondContact O-CB 3.11Å; F239-A243 PolarHBondContact O-N 2.85Å |
| 240 | L | 93.9 | Very high | 89.1 | Confident | 110 Ų | 110 | 91.2 Ų | 91.2 | 58% | 0.576 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63 | -43.4 | 178.3 | -73.9 | 170.7 | 0 | 0 | 0 | 111.8 | L236 T237 A243 V244 | L236-L240 WeakPolarHBondContact O-CB 3.44Å; L236-L240 VanDerWaalsContact O-CG 3.3Å; L236-L240 WeakPolarHBondContact O-CG 3.18Å; L236-L240 PolarHBondContact O-N 2.87Å; T237-L240 PolarHBondContact O-N 3.01Å; L240-A243 PolarHBondContact O-N 2.86Å; L240-V244 WeakPolarHBondContact O-CG2 3.45Å; L240-V244 PolarHBondContact O-N 3.15Å |
| 241 | V | 93.8 | Very high | 88 | Confident | 90 Ų | 90 | 96.6 Ų | 96.6 | 55% | 0.545 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.7 | -45 | 175.6 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | T237 V238 A243 V244 I245 | T237-V241 VanDerWaalsContact O-CG2 3.28Å; T237-V241 WeakPolarHBondContact O-CG2 3.35Å; T237-V241 PolarHBondContact O-N 3.38Å; V238-V241 PolarHBondContact O-N 3.4Å; V241-A243 PolarHBondContact O-N 2.95Å; V241-V244 PolarHBondContact O-N 2.99Å; V241-I245 HydrophobicContact CG1-CD1 3.86Å; V241-I245 VanDerWaalsContact O-CG1 3.32Å; V241-I245 WeakPolarHBondContact O-CG1 3.3Å; V241-I245 PolarHBondContact O-N 2.73Å |
| 242 | G | 90.2 | Very high | 86.5 | Confident | 37 Ų | 37 | 96.5 Ų | 96.5 | 38% | 0.381 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59 | -43.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V238 F239 I245 H246 | V238-G242 PolarHBondContact O-N 2.85Å; F239-G242 PolarHBondContact O-N 3.25Å; G242-I245 PolarHBondContact O-N 2.62Å; G242-H246 WeakPolarHBondContact O-CB 3.5Å; G242-H246 PolarHBondContact O-N 3.06Å |
| 243 | A | 90.9 | Very high | 84.6 | Confident | 36 Ų | 36 | 93.7 Ų | 93.7 | 30% | 0.298 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F239 L240 V241 H246 L247 | F239-A243 WeakPolarHBondContact O-CB 3.11Å; F239-A243 PolarHBondContact O-N 2.85Å; L240-A243 PolarHBondContact O-N 2.86Å; V241-A243 PolarHBondContact O-N 2.95Å; A243-H246 PolarHBondContact O-N 2.63Å; A243-L247 WeakPolarHBondContact O-CB 3.31Å; A243-L247 VanDerWaalsContact O-CG 3.23Å; A243-L247 WeakPolarHBondContact O-CG 3.4Å; A243-L247 PolarHBondContact O-N 2.95Å |
| 244 | V | 89.8 | Confident | 82.5 | Confident | 80 Ų | 80 | 94.4 Ų | 94.4 | 49% | 0.485 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 176.1 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | L240 V241 L247 K248 | L240-V244 WeakPolarHBondContact O-CG2 3.45Å; L240-V244 PolarHBondContact O-N 3.15Å; V241-V244 PolarHBondContact O-N 2.99Å; V244-L247 PolarHBondContact O-N 3.11Å; V244-K248 WeakPolarHBondContact O-CB 3.06Å; V244-K248 WeakPolarHBondContact O-CG 3.18Å; V244-K248 PolarHBondContact O-N 2.88Å |
| 245 | I | 88.7 | Confident | 80.3 | Confident | 109 Ų | 109 | 97 Ų | 97 | 56% | 0.559 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.1 | -44.7 | 176.5 | -66.9 | 167.7 | 0 | 0 | 0 | 110.3 | V241 G242 K248 A249 | V241-I245 HydrophobicContact CG1-CD1 3.86Å; V241-I245 VanDerWaalsContact O-CG1 3.32Å; V241-I245 WeakPolarHBondContact O-CG1 3.3Å; V241-I245 PolarHBondContact O-N 2.73Å; G242-I245 PolarHBondContact O-N 2.62Å; I245-K248 PolarHBondContact O-N 2.76Å; I245-A249 WeakPolarHBondContact O-CB 3.31Å; I245-A249 PolarHBondContact O-N 3.28Å |
| 246 | H | 86.1 | Confident | 78.1 | Confident | 114 Ų | 114 | 100.4 Ų | 100.4 | 53% | 0.528 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64 | -43 | 178.3 | -174.2 | -88.5 | 0 | 0 | 0 | 112.5 | G242 A243 K248 A249 Q250 | G242-H246 WeakPolarHBondContact O-CB 3.5Å; G242-H246 PolarHBondContact O-N 3.06Å; A243-H246 PolarHBondContact O-N 2.63Å; H246-K248 VanDerWaalsContact C-N 3.33Å; H246-K248 PolarHBondContact O-N 3.26Å; H246-A249 PolarHBondContact O-N 2.74Å; H246-Q250 PolarHBondContact CE1-NE2 3.24Å; H246-Q250 VanDerWaalsContact CE1-NE2 3.32Å; H246-Q250 PolarHBondContact O-N 2.96Å |
| 247 | L | 85.6 | Confident | 75.6 | Confident | 107 Ų | 107 | 105.7 Ų | 105.7 | 56% | 0.56 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.3 | -35.8 | 176.1 | -72 | 169.9 | 0 | 0 | 0 | 112.1 | A243 V244 K251 | A243-L247 WeakPolarHBondContact O-CB 3.31Å; A243-L247 VanDerWaalsContact O-CG 3.23Å; A243-L247 WeakPolarHBondContact O-CG 3.4Å; A243-L247 PolarHBondContact O-N 2.95Å; V244-L247 PolarHBondContact O-N 3.11Å; L247-K251 PolarHBondContact O-N 2.72Å; L247-K251 VanDerWaalsContact O-N 3.1Å |
| 248 | K | 80.2 | Confident | 73 | Confident | 151 Ų | 151 | 107.9 Ų | 107.9 | 66% | 0.657 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.5 | -39.3 | 171.8 | -77.2 | -172.4 | 176.5 | -173.3 | 0 | 112.1 | V244 I245 H246 K251 A252 | V244-K248 WeakPolarHBondContact O-CB 3.06Å; V244-K248 WeakPolarHBondContact O-CG 3.18Å; V244-K248 PolarHBondContact O-N 2.88Å; I245-K248 PolarHBondContact O-N 2.76Å; H246-K248 VanDerWaalsContact C-N 3.33Å; H246-K248 PolarHBondContact O-N 3.26Å; K248-K251 PolarHBondContact O-N 2.75Å; K248-A252 PolarHBondContact O-N 2.94Å |
| 249 | A | 75.8 | Confident | 70.5 | Confident | 56 Ų | 56 | 105.9 Ų | 105.9 | 46% | 0.463 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.6 | -40.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I245 H246 K251 A252 S253 | I245-A249 WeakPolarHBondContact O-CB 3.31Å; I245-A249 PolarHBondContact O-N 3.28Å; H246-A249 PolarHBondContact O-N 2.74Å; A249-K251 PolarHBondContact O-N 2.7Å; A249-A252 PolarHBondContact O-N 2.8Å; A249-S253 PolarHBondContact O-N 3.05Å; A249-S253 PolarHBondContact O-OG 2.79Å |
| 250 | Q | 72.5 | Confident | 67.6 | Low | 99 Ų | 99 | 107.1 Ų | 107.1 | 46% | 0.463 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -63.6 | -39.2 | 174.3 | -77.7 | -168.4 | -28.4 | 0 | 0 | 112.5 | H246 S253 V254 | H246-Q250 PolarHBondContact CE1-NE2 3.24Å; H246-Q250 VanDerWaalsContact CE1-NE2 3.32Å; H246-Q250 PolarHBondContact O-N 2.96Å; Q250-S253 WeakPolarHBondContact CA-OG 3.44Å; Q250-S253 PolarHBondContact O-N 2.94Å; Q250-S253 PolarHBondContact O-OG 3.04Å; Q250-V254 WeakPolarHBondContact O-CG2 3.19Å; Q250-V254 PolarHBondContact O-N 3.09Å; Q250-V254 VanDerWaalsContact O-N 3.15Å |
| 251 | K | 64.3 | Low | 65 | Low | 163 Ų | 163 | 110.4 Ų | 110.4 | 71% | 0.709 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -63 | -39.9 | 172.4 | -86.9 | -176.2 | 173 | -176.3 | 0 | 112.4 | L247 K248 A249 S253 V254 E255 | L247-K251 PolarHBondContact O-N 2.72Å; L247-K251 VanDerWaalsContact O-N 3.1Å; K248-K251 PolarHBondContact O-N 2.75Å; A249-K251 PolarHBondContact O-N 2.7Å; K251-S253 PolarHBondContact O-N 2.71Å; K251-V254 PolarHBondContact O-N 3.07Å; K251-E255 PolarHBondContact O-N 3.24Å |
| 252 | A | 55.8 | Low | 62.4 | Low | 60 Ų | 60 | 110.4 Ų | 110.4 | 50% | 0.496 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -67 | -32.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | K248 A249 T256 | K248-A252 PolarHBondContact O-N 2.94Å; A249-A252 PolarHBondContact O-N 2.8Å; A252-T256 PolarHBondContact O-OG1 3.41Å |
| 253 | S | 51.8 | Low | 59.8 | Low | 81 Ų | 81 | 115 Ų | 115 | 57% | 0.566 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -76.5 | -23.4 | 175.2 | 50.3 | 0 | 0 | 0 | 0 | 114.4 | A249 Q250 K251 | A249-S253 PolarHBondContact O-N 3.05Å; A249-S253 PolarHBondContact O-OG 2.79Å; Q250-S253 WeakPolarHBondContact CA-OG 3.44Å; Q250-S253 PolarHBondContact O-N 2.94Å; Q250-S253 PolarHBondContact O-OG 3.04Å; K251-S253 PolarHBondContact O-N 2.71Å |
| 254 | V | 51 | Low | 57.4 | Low | 125 Ų | 125 | 125.3 Ų | 125.3 | 76% | 0.758 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -78.7 | -23.6 | 174.6 | 171.7 | 0 | 0 | 0 | 0 | 111.7 | Q250 K251 | Q250-V254 WeakPolarHBondContact O-CG2 3.19Å; Q250-V254 PolarHBondContact O-N 3.09Å; Q250-V254 VanDerWaalsContact O-N 3.15Å; K251-V254 PolarHBondContact O-N 3.07Å |
| 255 | E | 47.4 | Very low | 54.8 | Low | 173 Ų | 173 | 125.8 Ų | 125.8 | 81% | 0.808 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -85.8 | -1.3 | 178.7 | -150.5 | 103.8 | -155.1 | 0 | 0 | 113.9 | K251 | K251-E255 PolarHBondContact O-N 3.24Š|
| 256 | T | 46.2 | Very low | 52.5 | Low | 112 Ų | 112 | 129 Ų | 129 | 69% | 0.687 | 72% | 0.718 | S | S | * | * | trans | -112.2 | 72.8 | 178.3 | -43 | 0 | 0 | 0 | 0 | 111.4 | A252 | A252-T256 PolarHBondContact O-OG1 3.41Š| ||
| 257 | Q | 42.8 | Very low | 50.5 | Low | 184 Ų | 184 | 131.5 Ų | 131.5 | 86% | 0.86 | 73% | 0.734 | S | S | * | * | trans | -137.1 | 100.8 | 160.4 | -157.3 | -178.8 | 1.4 | 0 | 0 | 108.9 | ||||
| 258 | P | 39.7 | Very low | 48.7 | Very low | 124 Ų | 124 | 131.9 Ų | 131.9 | 81% | 0.805 | 74% | 0.743 | S | S | * | * | trans | -92.9 | 112.8 | 169 | 29.8 | -19.7 | 0 | 0 | 0 | 109.4 | ||||
| 259 | G | 39.9 | Very low | 47.7 | Very low | 63 Ų | 63 | 129.7 Ų | 129.7 | 65% | 0.649 | 75% | 0.745 | S | S | * | * | trans | -83.3 | 137.9 | 153.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 260 | N | 33.4 | Very low | 45.8 | Very low | 175 Ų | 175 | 135.3 Ų | 135.3 | 94% | 0.936 | 76% | 0.761 | S | S | * | * | trans | -164.8 | 149.5 | 135.1 | -104.3 | -9.1 | 0 | 0 | 0 | 113.4 | ||||
| 261 | E | 38.3 | Very low | 45.1 | Very low | 179 Ų | 179 | 135 Ų | 135 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | trans | -101.7 | 151.7 | -157.3 | -153.2 | 170.5 | 175.8 | 0 | 0 | 111.5 | ||||
| 262 | A | 40 | Very low | 44.1 | Very low | 90 Ų | 90 | 141.7 Ų | 141.7 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | trans | 42.7 | 128.2 | 150.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 263 | S | 34.7 | Very low | 43.5 | Very low | 133 Ų | 133 | 145.8 Ų | 145.8 | 93% | 0.93 | 81% | 0.805 | S | S | * | * | trans | -141.2 | 119.7 | 145.9 | -76.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 264 | R | 40.5 | Very low | 43.1 | Very low | 254 Ų | 254 | 149.2 Ų | 149.2 | 96% | 0.958 | 82% | 0.818 | S | S | * | * | trans | -124.8 | 120.3 | 175.5 | -144.7 | -172.2 | -150.9 | 156 | 4.9 | 107.2 | ||||
| 265 | A | 35.7 | Very low | 42.7 | Very low | 90 Ų | 90 | 150.5 Ų | 150.5 | 74% | 0.744 | 82% | 0.821 | S | S | * | * | trans | -155.8 | 102.7 | 160 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 266 | L | 40.3 | Very low | 42.4 | Very low | 176 Ų | 176 | 149.2 Ų | 149.2 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | 75.3 | 113.7 | 97.2 | -83.4 | 163.1 | 0 | 0 | 0 | 113.5 | |||||
| 267 | L | 44.9 | Very low | 42.1 | Very low | 166 Ų | 166 | 151.5 Ų | 151.5 | 87% | 0.869 | 83% | 0.83 | S | S | * | * | trans | -66.4 | 159.2 | 173.3 | -76.4 | 150 | 0 | 0 | 0 | 113.2 | ||||
| 268 | P | 48.3 | Very low | 42.1 | Very low | 115 Ų | 115 | 149.3 Ų | 149.3 | 75% | 0.747 | 83% | 0.828 | S | S | * | * | trans | -110.5 | 169.1 | 144.3 | 34.8 | -22.1 | 0 | 0 | 0 | 112.4 | ||||
| 269 | P | 57.8 | Low | 42.3 | Very low | 106 Ų | 106 | 151.1 Ų | 151.1 | 69% | 0.688 | 83% | 0.83 | S | S | * | * | trans | -109.2 | -178.5 | -156.1 | 38.9 | -29.4 | 0 | 0 | 0 | 115.5 | ||||
| 270 | H | 36.5 | Very low | 42.4 | Very low | 174 Ų | 174 | 157.9 Ų | 157.9 | 81% | 0.806 | 84% | 0.843 | S | S | * | * | trans | 106.7 | 161.7 | 154.9 | -71.3 | -53.8 | 0 | 0 | 0 | 118.4 | ||||
| 271 | P | 57.6 | Low | 43.2 | Very low | 92 Ų | 92 | 156.5 Ų | 156.5 | 60% | 0.597 | 84% | 0.836 | S | S | * | * | -135.8 | 175.4 | -62.4 | 36.8 | -18.2 | 0 | 0 | 0 | 113 | |||||
| 272 | Y | 43.8 | Very low | 43.6 | Very low | 303 Ų | 303 | 154.5 Ų | 154.5 | 100% | 1.188 | 84% | 0.836 | S | S | * | * | trans | 76.8 | 0 | 172.7 | -64.6 | -74.8 | 0 | 0 | 0 | 118.6 |
Retrieved 272 of 272 residues in 330.1 ms
(Link to these results)