| 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 | 30 | Very low | 31.6 | Very low | 238 Ų | 238 | 155.1 Ų | 155.1 | 100% | 1.172 | 77% | 0.768 | S | S | * | * | 0 | 98.7 | 0 | -69.9 | 166.7 | 173.4 | 0 | 0 | 106.1 | |||||
| 2 | K | 30.7 | Very low | 31.2 | Very low | 203 Ų | 203 | 157.5 Ų | 157.5 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | 52.3 | 112 | 97.7 | -68.9 | -173.4 | 179.8 | -178.8 | 0 | 109.7 | |||||
| 3 | T | 35.6 | Very low | 30.8 | Very low | 130 Ų | 130 | 154.2 Ų | 154.2 | 80% | 0.798 | 77% | 0.766 | S | S | * | * | cis | -170.2 | 134.9 | 45.8 | 35.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 4 | C | 31.8 | Very low | 30.5 | Very low | 111 Ų | 111 | 151.2 Ų | 151.2 | 75% | 0.75 | 77% | 0.765 | S | S | * | * | 45.6 | 134.4 | 82 | -83.8 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 5 | W | 32.2 | Very low | 30.1 | Very low | 197 Ų | 197 | 147.5 Ų | 147.5 | 75% | 0.746 | 76% | 0.759 | S | S | * | * | cis | -178.8 | 144.8 | 31.7 | -140.2 | 29.5 | 0 | 0 | 0 | 108 | ||||
| 6 | K | 30.8 | Very low | 30 | Very low | 175 Ų | 175 | 150.4 Ų | 150.4 | 76% | 0.761 | 77% | 0.765 | S | S | * | * | 178.1 | 126.9 | 78.3 | -82.9 | 173.4 | 175.7 | 175.1 | 0 | 105.9 | |||||
| 7 | I | 31.3 | Very low | 29.9 | Very low | 117 Ų | 117 | 151.8 Ų | 151.8 | 60% | 0.6 | 77% | 0.773 | S | S | * | * | 58.6 | 138.1 | 60.9 | -58.3 | -178.2 | 0 | 0 | 0 | 112.1 | V9 | I7-V9 HydrophobicContact CG2-CG2 4.01Š| |||
| 8 | P | 41.4 | Very low | 29.9 | Very low | 114 Ų | 114 | 153.1 Ų | 153.1 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | cis | -127.3 | 153 | 20.2 | 15.3 | 11.6 | 0 | 0 | 0 | 115.9 | ||||
| 9 | V | 29.9 | Very low | 30.4 | Very low | 93 Ų | 93 | 150.8 Ų | 150.8 | 56% | 0.564 | 77% | 0.772 | S | S | * | * | 74.9 | 110.5 | 60 | -171 | 0 | 0 | 0 | 0 | 113.4 | I7 F11 | I7-V9 HydrophobicContact CG2-CG2 4.01Å; V9-F11 HydrophobicContact CG1-CD2 4.2Å; V9-F11 HydrophobicContact CG1-CE2 4.27Å | |||
| 10 | F | 26 | Very low | 30.1 | Very low | 176 Ų | 176 | 155.7 Ų | 155.7 | 77% | 0.772 | 78% | 0.781 | S | S | * | * | -177.8 | 102.7 | 109.7 | -105.9 | -87.8 | 0 | 0 | 0 | 111.2 | |||||
| 11 | F | 27.9 | Very low | 30 | Very low | 152 Ų | 152 | 153.3 Ų | 153.3 | 67% | 0.667 | 79% | 0.785 | S | S | * | * | 84.9 | 105.4 | 109.2 | -91 | -97.5 | 0 | 0 | 0 | 115.5 | V9 | V9-F11 HydrophobicContact CG1-CD2 4.2Å; V9-F11 HydrophobicContact CG1-CE2 4.27Å | |||
| 12 | F | 26.9 | Very low | 29.9 | Very low | 184 Ų | 184 | 147.6 Ų | 147.6 | 81% | 0.807 | 77% | 0.769 | S | S | * | * | 68.3 | 121.9 | 94.4 | -103.9 | -94.3 | 0 | 0 | 0 | 112 | |||||
| 13 | V | 26.6 | Very low | 29.8 | Very low | 115 Ų | 115 | 142.5 Ų | 142.5 | 70% | 0.697 | 77% | 0.765 | S | S | * | * | -176.3 | 145.1 | 77.7 | 164.3 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 14 | C | 25.3 | Very low | 29.6 | Very low | 112 Ų | 112 | 140.8 Ų | 140.8 | 76% | 0.757 | 76% | 0.764 | S | S | * | * | trans | 70.2 | 146.6 | 158.8 | -77.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 15 | S | 25.8 | Very low | 29.6 | Very low | 96 Ų | 96 | 141.2 Ų | 141.2 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | cis | -177.9 | 143.3 | -15 | -98.6 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 16 | F | 28.5 | Very low | 29.7 | Very low | 194 Ų | 194 | 141.8 Ų | 141.8 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | trans | 22.2 | 112.7 | 148.4 | -80.6 | -97.9 | 0 | 0 | 0 | 119.8 | ||||
| 17 | L | 27.3 | Very low | 29.7 | Very low | 174 Ų | 174 | 144 Ų | 144 | 91% | 0.911 | 77% | 0.774 | S | S | * | * | 177.2 | 109.8 | 125 | -96.1 | 146.8 | 0 | 0 | 0 | 111.2 | |||||
| 18 | E | 29.8 | Very low | 29.4 | Very low | 175 Ų | 175 | 149.8 Ų | 149.8 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -65 | 158.5 | 150.8 | -104.2 | -175.1 | 158.7 | 0 | 0 | 109.6 | ||||
| 19 | P | 39 | Very low | 28.8 | Very low | 109 Ų | 109 | 148.6 Ų | 148.6 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | -153.1 | 172.6 | 60.8 | 37.7 | -14.8 | 0 | 0 | 0 | 118.5 | |||||
| 20 | W | 24.8 | Very low | 28.8 | Very low | 248 Ų | 248 | 156 Ų | 156 | 94% | 0.939 | 80% | 0.798 | S | S | * | * | trans | 78.3 | 81.1 | 157.8 | -75.8 | 8.2 | 0 | 0 | 0 | 118.8 | ||||
| 21 | A | 28.1 | Very low | 29 | Very low | 106 Ų | 106 | 154.6 Ų | 154.6 | 88% | 0.876 | 79% | 0.792 | S | S | * | * | trans | -75.5 | 120.7 | 156.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | A23 | A21-A23 PolarHBondContact O-N 3.34Š| ||
| 22 | S | 29.2 | Very low | 29 | Very low | 119 Ų | 119 | 153.4 Ų | 153.4 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | -55.4 | 131.6 | 170.7 | -83.7 | 0 | 0 | 0 | 0 | 111.8 | A24 | S22-A24 PolarHBondContact O-N 3.45Š| ||
| 23 | A | 28.4 | Very low | 29.2 | Very low | 96 Ų | 96 | 148.8 Ų | 148.8 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | trans | -61.2 | 97.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111 | A21 V25 | A21-A23 PolarHBondContact O-N 3.34Å; A23-V25 PolarHBondContact O-N 3.23Å; A23-V25 VanDerWaalsContact O-N 3.12Å | ||
| 24 | A | 30.3 | Very low | 29.3 | Very low | 94 Ų | 94 | 150.6 Ų | 150.6 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | trans | -71.5 | 99.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | S22 K26 | S22-A24 PolarHBondContact O-N 3.45Å; A24-K26 PolarHBondContact O-N 3.37Å | ||
| 25 | V | 32.1 | Very low | 29.8 | Very low | 120 Ų | 120 | 150.4 Ų | 150.4 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -72 | 92.5 | 169.4 | 178.8 | 0 | 0 | 0 | 0 | 108.6 | A23 R27 | A23-V25 PolarHBondContact O-N 3.23Å; A23-V25 VanDerWaalsContact O-N 3.12Å; V25-R27 VanDerWaalsContact C-N 3.34Å; V25-R27 HydrophobicContact CG1-CB 4.24Å; V25-R27 HydrophobicContact CG1-CG 4.03Å; V25-R27 PolarHBondContact O-N 3.2Å | ||
| 26 | K | 34.9 | Very low | 29.9 | Very low | 209 Ų | 209 | 152.4 Ų | 152.4 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | trans | -65.8 | 92.7 | 158.5 | -94.4 | 178.6 | 176 | 173.6 | 0 | 108.5 | A24 | A24-K26 PolarHBondContact O-N 3.37Š| ||
| 27 | R | 29.4 | Very low | 30.5 | Very low | 220 Ų | 220 | 148.2 Ų | 148.2 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | trans | -128.8 | 113.8 | 157.1 | -79 | -169.2 | 177.2 | -169.5 | 0.5 | 108.8 | V25 | V25-R27 VanDerWaalsContact C-N 3.34Å; V25-R27 HydrophobicContact CG1-CB 4.24Å; V25-R27 HydrophobicContact CG1-CG 4.03Å; V25-R27 PolarHBondContact O-N 3.2Å | ||
| 28 | R | 26.3 | Very low | 31 | Very low | 240 Ų | 240 | 148 Ų | 148 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | trans | -56 | 126.2 | 168.5 | -70.7 | -176.6 | -178.3 | -170.7 | 0.6 | 108.3 | R30 | R28-R30 PolarHBondContact O-N 3.36Š| ||
| 29 | P | 28.9 | Very low | 31.3 | Very low | 88 Ų | 88 | 142.6 Ų | 142.6 | 57% | 0.571 | 79% | 0.79 | S | S | * | * | trans | -68.5 | 114.9 | 165.5 | 26.8 | -29.3 | 0 | 0 | 0 | 108 | F31 | P29-F31 HydrophobicContact CB-CD2 4.08Å; P29-F31 HydrophobicContact CB-CE2 3.69Å; P29-F31 HydrophobicContact CB-CZ 4.27Å; P29-F31 HydrophobicContact CG-CD2 4.2Å; P29-F31 HydrophobicContact CG-CE2 3.62Å; P29-F31 HydrophobicContact CG-CZ 4.45Å; P29-F31 PolarHBondContact O-N 3.28Å | ||
| 30 | R | 28.4 | Very low | 31.6 | Very low | 248 Ų | 248 | 146.2 Ų | 146.2 | 94% | 0.936 | 80% | 0.797 | S | S | * | * | trans | -73.4 | 101.4 | 161.8 | -83.4 | -174.1 | -167.7 | 171.1 | 3.5 | 106.7 | R28 | R28-R30 PolarHBondContact O-N 3.36Š| ||
| 31 | F | 30 | Very low | 33 | Very low | 147 Ų | 147 | 141 Ų | 141 | 65% | 0.645 | 79% | 0.788 | S | S | * | * | trans | -78.9 | 142.1 | 161.1 | -70.3 | -82.9 | 0 | 0 | 0 | 108.4 | P29 A33 | P29-F31 HydrophobicContact CB-CD2 4.08Å; P29-F31 HydrophobicContact CB-CE2 3.69Å; P29-F31 HydrophobicContact CB-CZ 4.27Å; P29-F31 HydrophobicContact CG-CD2 4.2Å; P29-F31 HydrophobicContact CG-CE2 3.62Å; P29-F31 HydrophobicContact CG-CZ 4.45Å; P29-F31 PolarHBondContact O-N 3.28Å; F31-A33 VanDerWaalsContact C-N 3.28Å; F31-A33 PolarHBondContact O-N 2.83Å | ||
| 32 | P | 29.3 | Very low | 34.8 | Very low | 128 Ų | 128 | 141.3 Ų | 141.3 | 83% | 0.831 | 77% | 0.771 | S | S | * | * | trans | -69.1 | 94.7 | 165.1 | 28.8 | -28.5 | 0 | 0 | 0 | 107.2 | N34 | P32-N34 PolarHBondContact O-N 3.45Å; P32-N34 VanDerWaalsContact O-N 3.17Å | ||
| 33 | A | 31 | Very low | 36.9 | Very low | 87 Ų | 87 | 137 Ų | 137 | 72% | 0.719 | 74% | 0.739 | S | S | * | * | trans | -69.5 | 105.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | F31 S35 | F31-A33 VanDerWaalsContact C-N 3.28Å; F31-A33 PolarHBondContact O-N 2.83Å; A33-S35 VanDerWaalsContact C-N 3.25Å; A33-S35 PolarHBondContact O-N 3.39Å | ||
| 34 | N | 28.4 | Very low | 39.5 | Very low | 152 Ų | 152 | 133.2 Ų | 133.2 | 81% | 0.813 | 71% | 0.706 | S | S | * | * | trans | -74.3 | 89 | 168.6 | -149.6 | 15 | 0 | 0 | 0 | 106.6 | P32 N36 | P32-N34 PolarHBondContact O-N 3.45Å; P32-N34 VanDerWaalsContact O-N 3.17Å; N34-N36 VanDerWaalsContact C-N 3.27Å; N34-N36 PolarHBondContact O-N 2.98Å | ||
| 35 | S | 34.9 | Very low | 41.7 | Very low | 108 Ų | 108 | 131.9 Ų | 131.9 | 76% | 0.755 | 69% | 0.69 | S | S | * | * | trans | -76.6 | 81.9 | 173.6 | 58.3 | 0 | 0 | 0 | 0 | 108.9 | A33 | A33-S35 VanDerWaalsContact C-N 3.25Å; A33-S35 PolarHBondContact O-N 3.39Å | ||
| 36 | N | 29.3 | Very low | 43.6 | Very low | 138 Ų | 138 | 135 Ų | 135 | 74% | 0.738 | 69% | 0.694 | S | S | * | * | trans | -108.3 | 108.6 | 156.5 | -95.5 | -7.3 | 0 | 0 | 0 | 107.8 | N34 | N34-N36 VanDerWaalsContact C-N 3.27Å; N34-N36 PolarHBondContact O-N 2.98Å | ||
| 37 | S | 41.1 | Very low | 45.2 | Very low | 107 Ų | 107 | 129.4 Ų | 129.4 | 75% | 0.748 | 67% | 0.673 | S | S | * | * | trans | -58.6 | 137.9 | 167.4 | 35.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 38 | N | 36.4 | Very low | 46.4 | Very low | 170 Ų | 170 | 128.6 Ų | 128.6 | 91% | 0.909 | 67% | 0.67 | S | S | * | * | S | Bend | trans | 91.8 | 49.2 | 171.1 | -55.5 | -11.1 | 0 | 0 | 0 | 118.1 | ||
| 39 | G | 37.8 | Very low | 47.1 | Very low | 61 Ų | 61 | 126.1 Ų | 126.1 | 63% | 0.629 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -153.9 | 125.7 | 151 | 0 | 0 | 0 | 0 | 0 | 108.1 | N41 | G39-N41 PolarHBondContact O-N 3.43Š|
| 40 | E | 44.7 | Very low | 48 | Very low | 184 Ų | 184 | 125.4 Ų | 125.4 | 86% | 0.86 | 68% | 0.681 | S | S | * | * | trans | -50.6 | 134.8 | 179.6 | -68.2 | 175.6 | 143.6 | 0 | 0 | 110.3 | E42 | E40-E42 PolarHBondContact O-N 2.82Š| ||
| 41 | N | 53.6 | Low | 49.2 | Very low | 140 Ų | 140 | 119.1 Ų | 119.1 | 75% | 0.749 | 66% | 0.662 | S | S | * | * | trans | -75.8 | 56 | -171.8 | -145.5 | 19.7 | 0 | 0 | 0 | 110.1 | G39 | G39-N41 PolarHBondContact O-N 3.43Š| ||
| 42 | E | 66.3 | Low | 50.4 | Low | 111 Ų | 111 | 119.7 Ų | 119.7 | 52% | 0.519 | 67% | 0.672 | S | S | . | * | trans | -83.9 | 130.8 | -175.6 | -162.7 | 173.8 | -165.4 | 0 | 0 | 109.5 | E40 C44 | E40-E42 PolarHBondContact O-N 2.82Å; E42-C44 PolarHBondContact O-N 2.95Å; E42-C44 VanDerWaalsContact O-N 3.11Å | ||
| 43 | L | 74.2 | Confident | 52.2 | Low | 28 Ų | 28 | 118.2 Ų | 118.2 | 15% | 0.147 | 66% | 0.657 | C | S | . | * | S | Bend | trans | -56 | -32.5 | -175.5 | -169.6 | 72.2 | 0 | 0 | 0 | 112.2 | F57 Y103 L107 P108 | L43-F57 HydrophobicContact CD1-CD2 4.45Å; L43-F57 HydrophobicContact CD1-CE1 3.81Å; L43-F57 HydrophobicContact CD1-CE2 3.72Å; L43-F57 HydrophobicContact CD1-CZ 3.35Å; L43-F57 HydrophobicContact CD2-CE2 4.12Å; L43-F57 HydrophobicContact CG-CD2 4.46Å; L43-F57 HydrophobicContact CG-CE2 3.58Å; L43-F57 HydrophobicContact CG-CZ 3.63Å; L43-F57 VanDerWaalsContact O-CZ 3.29Å; L43-F57 WeakPolarHBondContact O-CZ 3.2Å; L43-Y103 HydrophobicContact CD1-CD1 3.8Å; L43-Y103 HydrophobicContact CD1-CE1 4.12Å; L43-Y103 HydrophobicContact CD2-CD1 3.53Å; L43-Y103 HydrophobicContact CD2-CE1 3.76Å; L43-Y103 HydrophobicContact CG-CD1 4.32Å; L43-L107 HydrophobicContact CD2-CD2 4.42Å; L43-P108 VanDerWaalsContact CD2-CD 3.42Å; L43-P108 HydrophobicContact CD2-CG 4.31Å |
| 44 | C | 81.6 | Confident | 54.4 | Low | 17 Ų | 17 | 115.7 Ų | 115.7 | 12% | 0.115 | 63% | 0.632 | C | S | . | * | S | Bend | trans | -130.2 | 90.8 | -177.8 | -64.8 | 0 | 0 | 0 | 0 | 109.9 | E42 P108 C242 | E42-C44 PolarHBondContact O-N 2.95Å; E42-C44 VanDerWaalsContact O-N 3.11Å; C44-P108 HydrophobicContact CB-CB 4.08Å; C44-P108 HydrophobicContact CB-CG 4.45Å; C44-P108 VanDerWaalsContact SG-CG 3.57Å; C44-C242 WeakPolarHBondContact CA-SG 3.49Å; C44-C242 HydrophobicContact CB-CB 3.57Å; C44-C242 WeakPolarHBondContact CB-SG 3.46Å; C44-C242 WeakPolarHBondContact SG-CA 3.18Å; C44-C242 WeakPolarHBondContact SG-CB 3.28Å; C44-C242 CovalentContact SG-SG 2.02Å; C44-C242 PolarHBondContact SG-SG 2.81Å |
| 45 | P | 78 | Confident | 57 | Low | 67 Ų | 67 | 110.9 Ų | 110.9 | 44% | 0.435 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -65.8 | 141.4 | 176.4 | 27.6 | -33.9 | 0 | 0 | 0 | 110.3 | I47 L54 P55 | P45-I47 PolarHBondContact O-N 3.25Å; P45-L54 WeakPolarHBondContact O-CD2 3.18Å; P45-P55 HydrophobicContact CG-CG 4.47Å |
| 46 | K | 71.2 | Confident | 59.2 | Low | 185 Ų | 185 | 107.6 Ų | 107.6 | 80% | 0.804 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 128.2 | 170.3 | -64.6 | 177.1 | -175.9 | 172.8 | 0 | 108.8 | R48 | K46-R48 PolarHBondContact O-N 3.45Š|
| 47 | I | 68.2 | Low | 61.9 | Low | 92 Ų | 92 | 103.1 Ų | 103.1 | 47% | 0.472 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -49.2 | 129.1 | -176.6 | -59.7 | 175.9 | 0 | 0 | 0 | 110.1 | P45 Q51 L54 | P45-I47 PolarHBondContact O-N 3.25Å; I47-Q51 HydrophobicContact CG2-CB 4.08Å; I47-L54 HydrophobicContact CD1-CD1 4.23Å; I47-L54 HydrophobicContact CD1-CD2 4.08Å; I47-L54 HydrophobicContact CD1-CG 3.72Å; I47-L54 HydrophobicContact CG1-CD1 4.41Å; I47-L54 HydrophobicContact CG1-CD2 3.41Å; I47-L54 VanDerWaalsContact CG1-CD2 3.41Å; I47-L54 HydrophobicContact CG1-CG 3.65Å |
| 48 | R | 55.3 | Low | 64.3 | Low | 203 Ų | 203 | 101.4 Ų | 101.4 | 77% | 0.766 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -80.4 | 139.7 | 165.2 | -66.2 | -174.5 | -179.1 | -171.8 | 0.5 | 108.4 | K46 G50 Q51 | K46-R48 PolarHBondContact O-N 3.45Å; R48-G50 PolarHBondContact O-N 3.38Å; R48-Q51 PolarHBondContact O-N 2.83Å; R48-Q51 VanDerWaalsContact O-N 3.15Å |
| 49 | I | 41.3 | Very low | 67 | Low | 187 Ų | 187 | 93.3 Ų | 93.3 | 96% | 0.959 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | 115 | 178.4 | -60.5 | 166.9 | 0 | 0 | 0 | 108.8 | ||
| 50 | G | 46.6 | Very low | 69.5 | Low | 73 Ų | 73 | 91 Ų | 91 | 75% | 0.753 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 110.5 | 6.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | R48 | R48-G50 PolarHBondContact O-N 3.38Š|
| 51 | Q | 53.4 | Low | 71.8 | Confident | 116 Ų | 116 | 85.5 Ų | 85.5 | 54% | 0.542 | 46% | 0.46 | S | S | . | . | trans | -104.7 | 118 | 173.5 | -141.1 | 170.5 | -5.8 | 0 | 0 | 109.9 | I47 R48 | I47-Q51 HydrophobicContact CG2-CB 4.08Å; R48-Q51 PolarHBondContact O-N 2.83Å; R48-Q51 VanDerWaalsContact O-N 3.15Å | ||
| 52 | D | 56.3 | Low | 73.6 | Confident | 160 Ų | 160 | 81.4 Ų | 81.4 | 86% | 0.856 | 44% | 0.436 | S | S | * | . | trans | -77.9 | -17.2 | -168.1 | -72.5 | -29.5 | 0 | 0 | 0 | 115.2 | ||||
| 53 | D | 65.8 | Low | 75 | Confident | 97 Ų | 97 | 76.7 Ų | 76.7 | 52% | 0.519 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -148.4 | 143 | 175.5 | -95 | -48.9 | 0 | 0 | 0 | 111.7 | R249 | D53-R249 IonicContact OD1-CZ 3.02Å; D53-R249 IonicContact OD1-NE 2.74Å; D53-R249 IonicContact OD1-NH2 2.65Å; D53-R249 PolarHBondContact OD1-NH2 3.44Å |
| 54 | L | 77.1 | Confident | 75.9 | Confident | 34 Ų | 34 | 79.3 Ų | 79.3 | 18% | 0.178 | 43% | 0.426 | C | S | . | . | trans | -66 | 152 | 170.4 | -83.2 | 168.7 | 0 | 0 | 0 | 111 | P45 I47 H241 C242 D243 | P45-L54 WeakPolarHBondContact O-CD2 3.18Å; I47-L54 HydrophobicContact CD1-CD1 4.23Å; I47-L54 HydrophobicContact CD1-CD2 4.08Å; I47-L54 HydrophobicContact CD1-CG 3.72Å; I47-L54 HydrophobicContact CG1-CD1 4.41Å; I47-L54 HydrophobicContact CG1-CD2 3.41Å; I47-L54 VanDerWaalsContact CG1-CD2 3.41Å; I47-L54 HydrophobicContact CG1-CG 3.65Å; L54-H241 PolarHBondContact O-CE1 3.03Å; L54-H241 PolarHBondContact O-NE2 2.99Å; L54-C242 HydrophobicContact CB-CB 3.88Å; L54-C242 HydrophobicContact CD1-CB 4.34Å; L54-C242 HydrophobicContact CD2-CB 4.3Å; L54-C242 HydrophobicContact CG-CB 4.4Å; L54-D243 HydrophobicContact CB-CB 4.36Å; L54-D243 HydrophobicContact CD1-CB 3.88Å | ||
| 55 | P | 83.3 | Confident | 76.5 | Confident | 50 Ų | 50 | 78.5 Ų | 78.5 | 33% | 0.325 | 42% | 0.42 | S | S | . | . | trans | -66.9 | 150.1 | -177.8 | 24.4 | -29.3 | 0 | 0 | 0 | 112.6 | P45 C242 | P45-P55 HydrophobicContact CG-CG 4.47Å; P55-C242 HydrophobicContact CG-CB 4.44Å; P55-C242 WeakPolarHBondContact O-CB 3.32Å; P55-C242 PolarHBondContact O-N 3.48Å; P55-C242 PolarHBondContact O-SG 2.84Å; P55-C242 VanDerWaalsContact O-SG 3.35Å | ||
| 56 | G | 81.6 | Confident | 77.2 | Confident | 40 Ų | 40 | 77.8 Ų | 77.8 | 41% | 0.412 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 145.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I240 | G56-I240 CarbonylContact C-O 3.56Å; G56-I240 WeakPolarHBondContact CA-O 3.3Å |
| 57 | F | 86.4 | Confident | 78.2 | Confident | 44 Ų | 44 | 73.9 Ų | 73.9 | 19% | 0.193 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 107.8 | -177 | -59.1 | -80.3 | 0 | 0 | 0 | 109.7 | L43 L59 L239 I240 | L43-F57 HydrophobicContact CD1-CD2 4.45Å; L43-F57 HydrophobicContact CD1-CE1 3.81Å; L43-F57 HydrophobicContact CD1-CE2 3.72Å; L43-F57 HydrophobicContact CD1-CZ 3.35Å; L43-F57 HydrophobicContact CD2-CE2 4.12Å; L43-F57 HydrophobicContact CG-CD2 4.46Å; L43-F57 HydrophobicContact CG-CE2 3.58Å; L43-F57 HydrophobicContact CG-CZ 3.63Å; L43-F57 VanDerWaalsContact O-CZ 3.29Å; L43-F57 WeakPolarHBondContact O-CZ 3.2Å; F57-L59 HydrophobicContact CB-CD1 4.43Å; F57-L59 WeakPolarHBondContact O-CD1 3.33Å; F57-L59 PolarHBondContact O-N 2.81Å; F57-L239 WeakPolarHBondContact O-CA 3.46Å; F57-L239 WeakPolarHBondContact O-CD1 3.5Å; F57-I240 HydrophobicContact CD2-CG2 4.49Å; F57-I240 PolarHBondContact N-O 2.71Å; F57-I240 PolarHBondContact O-N 3.08Å |
| 58 | D | 91.1 | Very high | 79.4 | Confident | 70 Ų | 70 | 70.2 Ų | 70.2 | 37% | 0.374 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 108.1 | 174.7 | 178.8 | 0.9 | 0 | 0 | 0 | 110.4 | I60 S61 Q62 | D58-I60 VanDerWaalsContact C-N 3.31Å; D58-I60 PolarHBondContact O-N 3.42Å; D58-I60 WeakPolarHBondContact OD1-CB 3.19Å; D58-I60 PolarHBondContact OD1-N 2.94Å; D58-S61 PolarHBondContact O-N 2.82Å; D58-Q62 WeakPolarHBondContact O-CG 3.47Å; D58-Q62 PolarHBondContact O-N 3.4Å; D58-Q62 VanDerWaalsContact O-N 3.09Å |
| 59 | L | 92.4 | Very high | 81.2 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -71.1 | -26.1 | -177 | -85.9 | 68.1 | 0 | 0 | 0 | 111.8 | F57 S61 Q62 F63 F113 W131 M238 I240 | F57-L59 HydrophobicContact CB-CD1 4.43Å; F57-L59 WeakPolarHBondContact O-CD1 3.33Å; F57-L59 PolarHBondContact O-N 2.81Å; L59-S61 VanDerWaalsContact C-N 3.34Å; L59-S61 PolarHBondContact O-N 2.94Å; L59-Q62 PolarHBondContact O-N 3.2Å; L59-F63 HydrophobicContact CB-CD2 4.16Å; L59-F63 HydrophobicContact CB-CE2 4.42Å; L59-F63 HydrophobicContact CD2-CE2 4.19Å; L59-F63 HydrophobicContact CG-CD2 4.37Å; L59-F63 HydrophobicContact CG-CE2 4.17Å; L59-F63 VanDerWaalsContact O-CB 3.31Å; L59-F63 WeakPolarHBondContact O-CB 3.34Å; L59-F63 VanDerWaalsContact O-CD2 3.26Å; L59-F63 WeakPolarHBondContact O-CD2 3.43Å; L59-F63 PolarHBondContact O-N 3.5Å; L59-F113 HydrophobicContact CD2-CE2 4.48Å; L59-W131 HydrophobicContact CD2-CG 4.16Å; L59-M238 HydrophobicContact CB-CB 4Å; L59-M238 HydrophobicContact CB-CG 3.82Å; L59-M238 HydrophobicContact CB-SD 3.94Å; L59-M238 HydrophobicContact CD2-CG 3.85Å; L59-M238 HydrophobicContact CD2-SD 3.54Å; L59-M238 VanDerWaalsContact CD2-SD 3.54Å; L59-M238 HydrophobicContact CG-CG 4.35Å; L59-M238 HydrophobicContact CG-SD 4.38Å; L59-M238 PolarHBondContact N-O 3.44Å; L59-I240 HydrophobicContact CD1-CB 4.1Å; L59-I240 HydrophobicContact CD1-CD1 4.05Å; L59-I240 HydrophobicContact CD1-CG1 3.86Å; L59-I240 HydrophobicContact CD2-CD1 4.17Å; L59-I240 HydrophobicContact CD2-CG1 4.47Å |
| 60 | I | 91.9 | Very high | 83.6 | Confident | 13 Ų | 13 | 56.3 Ų | 56.3 | 7% | 0.067 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.8 | -44.9 | 176.9 | -67.6 | -177.2 | 0 | 0 | 0 | 109.9 | D58 Q64 V65 Y87 L235 Q236 M238 | D58-I60 VanDerWaalsContact C-N 3.31Å; D58-I60 PolarHBondContact O-N 3.42Å; D58-I60 WeakPolarHBondContact OD1-CB 3.19Å; D58-I60 PolarHBondContact OD1-N 2.94Å; I60-Q64 PolarHBondContact O-N 3.25Å; I60-Q64 VanDerWaalsContact O-N 3.16Å; I60-V65 HydrophobicContact CG2-CB 3.97Å; I60-V65 HydrophobicContact CG2-CG1 4.48Å; I60-V65 PolarHBondContact O-N 2.8Å; I60-Y87 HydrophobicContact CD1-CD2 4.42Å; I60-Y87 HydrophobicContact CD1-CE2 4.37Å; I60-Y87 HydrophobicContact CG2-CD2 4.34Å; I60-Y87 HydrophobicContact CG2-CE2 3.84Å; I60-L235 HydrophobicContact CD1-CD2 4.5Å; I60-L235 HydrophobicContact CD1-CG 4.33Å; I60-L235 HydrophobicContact CG1-CD2 4.16Å; I60-Q236 WeakPolarHBondContact CD1-O 3.23Å; I60-M238 HydrophobicContact CG1-CB 4.45Å |
| 61 | S | 92 | Very high | 85.8 | Confident | 67 Ų | 67 | 62.4 Ų | 62.4 | 47% | 0.469 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.1 | -44.7 | 177.4 | -174.7 | 0 | 0 | 0 | 0 | 112 | D58 L59 Q64 | D58-S61 PolarHBondContact O-N 2.82Å; L59-S61 VanDerWaalsContact C-N 3.34Å; L59-S61 PolarHBondContact O-N 2.94Å; S61-Q64 PolarHBondContact O-N 3.36Å |
| 62 | Q | 92.4 | Very high | 87.6 | Confident | 55 Ų | 55 | 68 Ų | 68 | 26% | 0.257 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 179.7 | -72 | -180 | -7.5 | 0 | 0 | 112.5 | D58 L59 Q64 I97 L102 | D58-Q62 WeakPolarHBondContact O-CG 3.47Å; D58-Q62 PolarHBondContact O-N 3.4Å; D58-Q62 VanDerWaalsContact O-N 3.09Å; L59-Q62 PolarHBondContact O-N 3.2Å; Q62-Q64 PolarHBondContact O-N 2.91Å; Q62-I97 HydrophobicContact CB-CD1 4.2Å; Q62-I97 VanDerWaalsContact O-CD1 3.25Å; Q62-I97 WeakPolarHBondContact O-CD1 3.47Å; Q62-L102 HydrophobicContact CB-CD2 4.35Å; Q62-L102 HydrophobicContact CG-CD2 4.41Å |
| 63 | F | 94.2 | Very high | 89.2 | Confident | 12 Ų | 12 | 62.6 Ų | 62.6 | 5% | 0.053 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 0.8 | 174.9 | -76.2 | -96.3 | 0 | 0 | 0 | 113.5 | L59 V65 F95 I97 L102 A218 L220 | L59-F63 HydrophobicContact CB-CD2 4.16Å; L59-F63 HydrophobicContact CB-CE2 4.42Å; L59-F63 HydrophobicContact CD2-CE2 4.19Å; L59-F63 HydrophobicContact CG-CD2 4.37Å; L59-F63 HydrophobicContact CG-CE2 4.17Å; L59-F63 VanDerWaalsContact O-CB 3.31Å; L59-F63 WeakPolarHBondContact O-CB 3.34Å; L59-F63 VanDerWaalsContact O-CD2 3.26Å; L59-F63 WeakPolarHBondContact O-CD2 3.43Å; L59-F63 PolarHBondContact O-N 3.5Å; F63-V65 HydrophobicContact CB-CG2 3.82Å; F63-V65 PolarHBondContact O-N 3.03Å; F63-F95 HydrophobicContact CB-CD1 4.37Å; F63-F95 HydrophobicContact CD1-CB 3.89Å; F63-I97 HydrophobicContact CB-CD1 4.3Å; F63-I97 HydrophobicContact CD1-CD1 3.82Å; F63-I97 HydrophobicContact CD1-CG1 3.72Å; F63-I97 HydrophobicContact CD2-CD1 3.74Å; F63-I97 HydrophobicContact CD2-CG1 4.49Å; F63-I97 HydrophobicContact CE1-CB 4.4Å; F63-I97 HydrophobicContact CE1-CD1 4.07Å; F63-I97 HydrophobicContact CE1-CG1 3.79Å; F63-I97 HydrophobicContact CE2-CD1 3.98Å; F63-I97 HydrophobicContact CG-CD1 3.67Å; F63-I97 HydrophobicContact CG-CG1 4.11Å; F63-I97 HydrophobicContact CZ-CD1 4.16Å; F63-I97 HydrophobicContact CZ-CG1 4.23Å; F63-L102 HydrophobicContact CE2-CD1 4.44Å; F63-A218 VanDerWaalsContact CE1-O 3.3Å; F63-A218 WeakPolarHBondContact CE1-O 3.25Å; F63-A218 HydrophobicContact CZ-CB 3.88Å; F63-A218 WeakPolarHBondContact CZ-O 3.08Å; F63-L220 HydrophobicContact CB-CD1 4.08Å; F63-L220 HydrophobicContact CD1-CD1 3.94Å; F63-L220 HydrophobicContact CD1-CG 3.96Å; F63-L220 HydrophobicContact CD2-CD1 4.12Å; F63-L220 HydrophobicContact CD2-CD2 4.5Å; F63-L220 HydrophobicContact CD2-CG 4.38Å; F63-L220 HydrophobicContact CE1-CD1 4.35Å; F63-L220 HydrophobicContact CE1-CD2 4.43Å; F63-L220 HydrophobicContact CE1-CG 3.87Å; F63-L220 HydrophobicContact CE2-CD2 4.15Å; F63-L220 HydrophobicContact CE2-CG 4.31Å; F63-L220 HydrophobicContact CG-CD1 3.79Å; F63-L220 HydrophobicContact CG-CG 4.2Å; F63-L220 HydrophobicContact CZ-CD2 4.1Å; F63-L220 HydrophobicContact CZ-CG 4.04Å |
| 64 | Q | 94 | Very high | 90.5 | Very high | 83 Ų | 83 | 58.8 Ų | 58.8 | 39% | 0.388 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 34.8 | 177.7 | -56.9 | -173.6 | 33 | 0 | 0 | 112.2 | I60 S61 Q62 D66 K67 A68 | I60-Q64 PolarHBondContact O-N 3.25Å; I60-Q64 VanDerWaalsContact O-N 3.16Å; S61-Q64 PolarHBondContact O-N 3.36Å; Q62-Q64 PolarHBondContact O-N 2.91Å; Q64-D66 VanDerWaalsContact C-N 3.28Å; Q64-D66 WeakPolarHBondContact CA-OD1 3.42Å; Q64-D66 PolarHBondContact O-N 3.49Å; Q64-K67 HydrophobicContact CB-CB 4.16Å; Q64-K67 HydrophobicContact CB-CD 4.09Å; Q64-K67 HydrophobicContact CB-CG 4.49Å; Q64-K67 HydrophobicContact CG-CD 4.11Å; Q64-K67 PolarHBondContact O-N 3.5Å; Q64-A68 WeakPolarHBondContact O-CB 3.32Å; Q64-A68 PolarHBondContact O-N 2.82Å |
| 65 | V | 94.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.8 | -39.9 | -178.7 | 178.4 | 0 | 0 | 0 | 0 | 109.7 | I60 F63 A68 A69 I74 Y87 L89 F95 L220 | I60-V65 HydrophobicContact CG2-CB 3.97Å; I60-V65 HydrophobicContact CG2-CG1 4.48Å; I60-V65 PolarHBondContact O-N 2.8Å; F63-V65 HydrophobicContact CB-CG2 3.82Å; F63-V65 PolarHBondContact O-N 3.03Å; V65-A68 PolarHBondContact O-N 3.37Å; V65-A69 PolarHBondContact O-N 2.81Å; V65-I74 HydrophobicContact CG1-CD1 3.54Å; V65-I74 WeakPolarHBondContact O-CD1 3.35Å; V65-Y87 HydrophobicContact CG1-CD1 4.19Å; V65-Y87 HydrophobicContact CG1-CD2 3.92Å; V65-Y87 HydrophobicContact CG1-CG 3.67Å; V65-L89 HydrophobicContact CG1-CD1 4.08Å; V65-F95 HydrophobicContact CB-CE1 4.35Å; V65-F95 HydrophobicContact CG2-CD1 3.96Å; V65-F95 HydrophobicContact CG2-CE1 3.89Å; V65-F95 HydrophobicContact CG2-CZ 4.48Å; V65-L220 HydrophobicContact CG2-CD1 4.44Å |
| 66 | D | 92.2 | Very high | 91.9 | Very high | 52 Ų | 52 | 68 Ų | 68 | 28% | 0.278 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.2 | -43.1 | 173 | 63.1 | -20.5 | 0 | 0 | 0 | 113.2 | Q64 A69 S70 | Q64-D66 VanDerWaalsContact C-N 3.28Å; Q64-D66 WeakPolarHBondContact CA-OD1 3.42Å; Q64-D66 PolarHBondContact O-N 3.49Å; D66-A69 PolarHBondContact O-N 2.98Å; D66-S70 WeakPolarHBondContact O-CB 3.4Å; D66-S70 PolarHBondContact O-N 2.97Å; D66-S70 PolarHBondContact O-OG 3.21Å |
| 67 | K | 93.5 | Very high | 92.6 | Very high | 102 Ų | 102 | 67.6 Ų | 67.6 | 44% | 0.443 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -71.1 | -38.5 | 176.2 | -67.9 | 175.5 | -176 | 165.6 | 0 | 111.1 | Q64 A69 S70 R71 | Q64-K67 HydrophobicContact CB-CB 4.16Å; Q64-K67 HydrophobicContact CB-CD 4.09Å; Q64-K67 HydrophobicContact CB-CG 4.49Å; Q64-K67 HydrophobicContact CG-CD 4.11Å; Q64-K67 PolarHBondContact O-N 3.5Å; K67-A69 VanDerWaalsContact C-N 3.3Å; K67-A69 PolarHBondContact O-N 3.19Å; K67-S70 PolarHBondContact O-N 3.49Å; K67-R71 WeakPolarHBondContact O-CB 3.22Å; K67-R71 VanDerWaalsContact O-CG 3.27Å; K67-R71 WeakPolarHBondContact O-CG 3.3Å; K67-R71 PolarHBondContact O-N 3.41Å |
| 68 | A | 92.6 | Very high | 93 | Very high | 15 Ų | 15 | 69.9 Ų | 69.9 | 12% | 0.124 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.8 | -41.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q64 V65 R71 R72 A73 I74 F95 | Q64-A68 WeakPolarHBondContact O-CB 3.32Å; Q64-A68 PolarHBondContact O-N 2.82Å; V65-A68 PolarHBondContact O-N 3.37Å; A68-R71 CarbonylContact O-C 3.59Å; A68-R71 PolarHBondContact O-N 3.17Å; A68-R72 PolarHBondContact O-N 2.93Å; A68-A73 HydrophobicContact CB-CB 4.36Å; A68-A73 WeakPolarHBondContact O-CB 3.4Å; A68-A73 PolarHBondContact O-N 2.72Å; A68-I74 HydrophobicContact CB-CD1 4.3Å; A68-I74 HydrophobicContact CB-CG1 4.14Å; A68-F95 HydrophobicContact CB-CE1 3.93Å; A68-F95 HydrophobicContact CB-CZ 3.99Å |
| 69 | A | 92.3 | Very high | 93.2 | Very high | 12 Ų | 12 | 66.9 Ų | 66.9 | 10% | 0.099 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.6 | -43.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | V65 D66 K67 R71 R72 I74 Y87 | V65-A69 PolarHBondContact O-N 2.81Å; D66-A69 PolarHBondContact O-N 2.98Å; K67-A69 VanDerWaalsContact C-N 3.3Å; K67-A69 PolarHBondContact O-N 3.19Å; A69-R71 PolarHBondContact O-N 3.1Å; A69-R72 WeakPolarHBondContact O-CA 3.41Å; A69-R72 PolarHBondContact O-N 3.47Å; A69-I74 HydrophobicContact CB-CD1 4.17Å; A69-I74 HydrophobicContact CB-CG1 3.76Å; A69-Y87 HydrophobicContact CB-CD1 3.61Å; A69-Y87 HydrophobicContact CB-CE1 3.64Å |
| 70 | S | 92.6 | Very high | 93.3 | Very high | 87 Ų | 87 | 67.4 Ų | 67.4 | 61% | 0.608 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.2 | -30.2 | 177 | -59.4 | 0 | 0 | 0 | 0 | 112.6 | D66 K67 R72 | D66-S70 WeakPolarHBondContact O-CB 3.4Å; D66-S70 PolarHBondContact O-N 2.97Å; D66-S70 PolarHBondContact O-OG 3.21Å; K67-S70 PolarHBondContact O-N 3.49Å; S70-R72 VanDerWaalsContact C-N 3.27Å; S70-R72 PolarHBondContact O-N 3.4Å |
| 71 | R | 93.3 | Very high | 93.3 | Very high | 200 Ų | 200 | 68.4 Ų | 68.4 | 76% | 0.755 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 6.7 | 173.4 | -68.2 | 177.2 | -177.4 | -157 | 2.4 | 113.7 | K67 A68 A69 A73 | K67-R71 WeakPolarHBondContact O-CB 3.22Å; K67-R71 VanDerWaalsContact O-CG 3.27Å; K67-R71 WeakPolarHBondContact O-CG 3.3Å; K67-R71 PolarHBondContact O-N 3.41Å; A68-R71 CarbonylContact O-C 3.59Å; A68-R71 PolarHBondContact O-N 3.17Å; A69-R71 PolarHBondContact O-N 3.1Å; R71-A73 PolarHBondContact O-N 2.88Å |
| 72 | R | 89.6 | Confident | 93.2 | Very high | 233 Ų | 233 | 71.4 Ų | 71.4 | 88% | 0.879 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 20.9 | -177.2 | -52.4 | -178 | 179.2 | -166.9 | -0.7 | 114.2 | A68 A69 S70 | A68-R72 PolarHBondContact O-N 2.93Å; A69-R72 WeakPolarHBondContact O-CA 3.41Å; A69-R72 PolarHBondContact O-N 3.47Å; S70-R72 VanDerWaalsContact C-N 3.27Å; S70-R72 PolarHBondContact O-N 3.4Å |
| 73 | A | 90.6 | Very high | 93.2 | Very high | 48 Ų | 48 | 76.3 Ų | 76.3 | 40% | 0.397 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -76 | -31.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A68 R71 V93 | A68-A73 HydrophobicContact CB-CB 4.36Å; A68-A73 WeakPolarHBondContact O-CB 3.4Å; A68-A73 PolarHBondContact O-N 2.72Å; R71-A73 PolarHBondContact O-N 2.88Å; A73-V93 HydrophobicContact CB-CG2 3.92Å; A73-V93 WeakPolarHBondContact O-CG2 3.34Å |
| 74 | I | 94.4 | Very high | 93.1 | Very high | 16 Ų | 16 | 79.7 Ų | 79.7 | 8% | 0.082 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -128.5 | 159 | 170.9 | 63.5 | 171.7 | 0 | 0 | 0 | 110.5 | V65 A68 A69 Y87 L89 V93 F95 | V65-I74 HydrophobicContact CG1-CD1 3.54Å; V65-I74 WeakPolarHBondContact O-CD1 3.35Å; A68-I74 HydrophobicContact CB-CD1 4.3Å; A68-I74 HydrophobicContact CB-CG1 4.14Å; A69-I74 HydrophobicContact CB-CD1 4.17Å; A69-I74 HydrophobicContact CB-CG1 3.76Å; I74-Y87 HydrophobicContact CD1-CD1 4.19Å; I74-Y87 HydrophobicContact CD1-CG 4.38Å; I74-L89 HydrophobicContact CD1-CD1 4.34Å; I74-V93 HydrophobicContact CG2-CB 3.97Å; I74-V93 HydrophobicContact CG2-CG2 3.61Å; I74-F95 HydrophobicContact CD1-CZ 3.94Å; I74-F95 HydrophobicContact CG2-CE2 4.04Å; I74-F95 HydrophobicContact CG2-CZ 3.85Å |
| 75 | Q | 94.1 | Very high | 93.2 | Very high | 118 Ų | 118 | 78.7 Ų | 78.7 | 55% | 0.551 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 134.8 | -179.7 | -172 | 177.5 | -0.1 | 0 | 0 | 111 | V77 K88 | Q75-V77 HydrophobicContact CG-CG1 4.06Å; Q75-K88 HydrophobicContact CB-CB 4.27Å; Q75-K88 PolarHBondContact O-N 2.76Å |
| 76 | R | 95 | Very high | 93.3 | Very high | 159 Ų | 159 | 78.7 Ų | 78.7 | 60% | 0.6 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 131 | 169.8 | -157.1 | 169.1 | 81.8 | -160.4 | 1.2 | 109.2 | V85 A86 Y87 | R76-V85 HydrophobicContact CG-CG1 3.37Å; R76-A86 CarbonylContact C-O 3.56Å; R76-A86 WeakPolarHBondContact CA-O 3.23Å; R76-Y87 HydrophobicContact CG-CD1 4.25Å; R76-Y87 HydrophobicContact CG-CE1 4.03Å |
| 77 | V | 95.3 | Very high | 93.5 | Very high | 32 Ų | 32 | 77.8 Ų | 77.8 | 19% | 0.194 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 165 | -176.5 | -60.4 | 0 | 0 | 0 | 0 | 110.3 | Q75 A86 E234 | Q75-V77 HydrophobicContact CG-CG1 4.06Å; V77-A86 HydrophobicContact CG2-CB 3.89Å; V77-A86 PolarHBondContact N-O 3.46Å; V77-A86 PolarHBondContact O-N 2.92Å; V77-E234 HydrophobicContact CG2-CG 4.45Å |
| 78 | V | 95.9 | Very high | 93.6 | Very high | 92 Ų | 92 | 77.6 Ų | 77.6 | 56% | 0.558 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70 | 133.8 | 171.6 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | ||
| 79 | G | 94.7 | Very high | 93.7 | Very high | 8 Ų | 8 | 77.1 Ų | 77.1 | 8% | 0.082 | 39% | 0.388 | C | S | . | . | trans | -80.2 | -152.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A81 Q84 W180 | G79-A81 VanDerWaalsContact C-N 3.31Å; G79-A81 PolarHBondContact O-N 2.92Å; G79-Q84 PolarHBondContact N-O 3.29Å; G79-W180 VanDerWaalsContact C-CE2 3.47Å; G79-W180 PolarHBondContact O-NE1 3.41Å | ||
| 80 | S | 94.2 | Very high | 93.2 | Very high | 11 Ų | 11 | 77.2 Ų | 77.2 | 8% | 0.077 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -59.7 | -35 | 176.3 | 50.2 | 0 | 0 | 0 | 0 | 113.8 | Q236 E254 P256 | S80-Q236 PolarHBondContact OG-NE2 2.92Å; S80-Q236 PolarHBondContact OG-OE1 2.73Å; S80-E254 CarbonylContact C-O 3.55Å; S80-E254 VanDerWaalsContact CB-O 3.28Å; S80-E254 WeakPolarHBondContact CB-O 3.47Å; S80-E254 PolarHBondContact OG-O 2.76Å; S80-P256 WeakPolarHBondContact O-CD 3.37Å; S80-P256 WeakPolarHBondContact O-CG 3.43Å |
| 81 | A | 92.6 | Very high | 92.3 | Very high | 35 Ų | 35 | 78.9 Ų | 78.9 | 29% | 0.289 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -120.5 | 162.4 | 172 | 0 | 0 | 0 | 0 | 0 | 111.3 | G79 L83 Q84 | G79-A81 VanDerWaalsContact C-N 3.31Å; G79-A81 PolarHBondContact O-N 2.92Å; A81-L83 PolarHBondContact O-N 3.22Å; A81-L83 VanDerWaalsContact O-N 3.16Å; A81-Q84 HydrophobicContact CB-CB 4.44Å; A81-Q84 HydrophobicContact CB-CG 3.91Å; A81-Q84 WeakPolarHBondContact O-CB 3.47Å; A81-Q84 PolarHBondContact O-N 3.49Å |
| 82 | T | 89.6 | Confident | 91.4 | Very high | 129 Ų | 129 | 76.4 Ų | 76.4 | 79% | 0.791 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -29.6 | -176.7 | 50.2 | 0 | 0 | 0 | 0 | 114.1 | ||
| 83 | L | 91.6 | Very high | 91.1 | Very high | 159 Ų | 159 | 67.1 Ų | 67.1 | 83% | 0.832 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -12.5 | 177.2 | -60.2 | 178.2 | 0 | 0 | 0 | 113.2 | A81 | A81-L83 PolarHBondContact O-N 3.22Å; A81-L83 VanDerWaalsContact O-N 3.16Å |
| 84 | Q | 93.6 | Very high | 91 | Very high | 82 Ų | 82 | 68 Ų | 68 | 38% | 0.383 | 36% | 0.361 | S | S | . | . | trans | -84.5 | 142.6 | -177.5 | -66.8 | -66.9 | -23.7 | 0 | 0 | 110.4 | G79 A81 E254 | G79-Q84 PolarHBondContact N-O 3.29Å; A81-Q84 HydrophobicContact CB-CB 4.44Å; A81-Q84 HydrophobicContact CB-CG 3.91Å; A81-Q84 WeakPolarHBondContact O-CB 3.47Å; A81-Q84 PolarHBondContact O-N 3.49Å; Q84-E254 HydrophobicContact CG-CB 4.39Å | ||
| 85 | V | 95.4 | Very high | 91 | Very high | 62 Ų | 62 | 68 Ų | 68 | 38% | 0.376 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 133.6 | 178.1 | 169.6 | 0 | 0 | 0 | 0 | 108.8 | R76 Y87 | R76-V85 HydrophobicContact CG-CG1 3.37Å; V85-Y87 HydrophobicContact CG1-CE1 4.28Å; V85-Y87 HydrophobicContact CG1-CE2 4.48Å |
| 86 | A | 97 | Very high | 91 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 165.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R76 V77 W180 L235 Q236 | R76-A86 CarbonylContact C-O 3.56Å; R76-A86 WeakPolarHBondContact CA-O 3.23Å; V77-A86 HydrophobicContact CG2-CB 3.89Å; V77-A86 PolarHBondContact N-O 3.46Å; V77-A86 PolarHBondContact O-N 2.92Å; A86-W180 HydrophobicContact CB-CH2 3.28Å; A86-W180 HydrophobicContact CB-CZ2 3.78Å; A86-W180 HydrophobicContact CB-CZ3 4.23Å; A86-L235 CarbonylContact C-O 3.58Å; A86-L235 WeakPolarHBondContact CA-O 3.33Å; A86-Q236 HydrophobicContact CB-CB 4.06Å |
| 87 | Y | 96.6 | Very high | 91 | Very high | 33 Ų | 33 | 60 Ų | 60 | 13% | 0.129 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 126.2 | -174 | -57 | -77.2 | 0 | 0 | 0 | 109.5 | I60 V65 A69 I74 R76 V85 L89 E234 L235 | I60-Y87 HydrophobicContact CD1-CD2 4.42Å; I60-Y87 HydrophobicContact CD1-CE2 4.37Å; I60-Y87 HydrophobicContact CG2-CD2 4.34Å; I60-Y87 HydrophobicContact CG2-CE2 3.84Å; V65-Y87 HydrophobicContact CG1-CD1 4.19Å; V65-Y87 HydrophobicContact CG1-CD2 3.92Å; V65-Y87 HydrophobicContact CG1-CG 3.67Å; A69-Y87 HydrophobicContact CB-CD1 3.61Å; A69-Y87 HydrophobicContact CB-CE1 3.64Å; I74-Y87 HydrophobicContact CD1-CD1 4.19Å; I74-Y87 HydrophobicContact CD1-CG 4.38Å; R76-Y87 HydrophobicContact CG-CD1 4.25Å; R76-Y87 HydrophobicContact CG-CE1 4.03Å; V85-Y87 HydrophobicContact CG1-CE1 4.28Å; V85-Y87 HydrophobicContact CG1-CE2 4.48Å; Y87-L89 WeakPolarHBondContact O-CD1 3.35Å; Y87-L89 PolarHBondContact O-N 2.91Å; Y87-E234 CarbonylContact O-C 3.57Å; Y87-E234 VanDerWaalsContact O-CA 3.31Å; Y87-E234 WeakPolarHBondContact O-CA 3.3Å; Y87-L235 WeakPolarHBondContact CD2-O 3.38Å; Y87-L235 PolarHBondContact N-O 2.87Å; Y87-L235 PolarHBondContact O-N 2.91Å |
| 88 | K | 95.3 | Very high | 91.1 | Very high | 99 Ų | 99 | 60.4 Ų | 60.4 | 43% | 0.43 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 105.1 | 176.4 | -170.7 | 172.8 | -179.8 | 175.8 | 0 | 109.5 | Q75 E234 | Q75-K88 HydrophobicContact CB-CB 4.27Å; Q75-K88 PolarHBondContact O-N 2.76Å; K88-E234 HydrophobicContact CB-CG 4.3Å; K88-E234 HydrophobicContact CG-CG 4.23Å |
| 89 | L | 93.3 | Very high | 91 | Very high | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 156.9 | 176.1 | -79.2 | 67.3 | 0 | 0 | 0 | 109.5 | V65 I74 Y87 F95 L220 P232 F233 L235 | V65-L89 HydrophobicContact CG1-CD1 4.08Å; I74-L89 HydrophobicContact CD1-CD1 4.34Å; Y87-L89 WeakPolarHBondContact O-CD1 3.35Å; Y87-L89 PolarHBondContact O-N 2.91Å; L89-F95 HydrophobicContact CD2-CD2 3.99Å; L89-F95 HydrophobicContact CD2-CE2 4.18Å; L89-F95 HydrophobicContact CG-CD2 4.15Å; L89-F95 HydrophobicContact CG-CE2 3.86Å; L89-L220 HydrophobicContact CD2-CD1 4.32Å; L89-P232 VanDerWaalsContact O-CA 3.3Å; L89-P232 WeakPolarHBondContact O-CA 3.29Å; L89-F233 HydrophobicContact CB-CD1 4.07Å; L89-F233 HydrophobicContact CB-CE1 3.72Å; L89-F233 HydrophobicContact CB-CZ 4.2Å; L89-F233 HydrophobicContact CD2-CE1 3.93Å; L89-F233 HydrophobicContact CD2-CZ 3.7Å; L89-F233 HydrophobicContact CG-CE1 4.46Å; L89-F233 PolarHBondContact N-O 2.95Å; L89-F233 PolarHBondContact O-N 3.12Å; L89-F233 VanDerWaalsContact O-N 3.11Å; L89-F233 VanDerWaalsContact O-O 3.05Å; L89-L235 HydrophobicContact CD1-CB 3.93Å; L89-L235 HydrophobicContact CD2-CB 4.5Å; L89-L235 HydrophobicContact CD2-CD2 4.17Å |
| 90 | G | 82.3 | Confident | 91 | Very high | 14 Ų | 14 | 61.2 Ų | 61.2 | 14% | 0.144 | 32% | 0.32 | C | S | . | . | S | Bend | trans | 166.3 | -149.8 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | N92 S230 | G90-N92 PolarHBondContact O-N 2.93Å; G90-N92 VanDerWaalsContact O-N 3.12Å; G90-S230 WeakPolarHBondContact O-CB 3.33Å |
| 91 | N | 74.7 | Confident | 90.9 | Very high | 121 Ų | 121 | 65.7 Ų | 65.7 | 65% | 0.647 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -13.7 | -168.1 | -63.5 | 13 | 0 | 0 | 0 | 114.7 | S230 | N91-S230 PolarHBondContact OD1-O 2.64Š|
| 92 | N | 72.9 | Confident | 90.7 | Very high | 148 Ų | 148 | 65.3 Ų | 65.3 | 79% | 0.791 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -24.1 | -168.3 | -60.7 | 53.7 | 0 | 0 | 0 | 113.1 | G90 | G90-N92 PolarHBondContact O-N 2.93Å; G90-N92 VanDerWaalsContact O-N 3.12Å |
| 93 | V | 83.1 | Confident | 90.7 | Very high | 38 Ų | 38 | 59.2 Ų | 59.2 | 23% | 0.23 | 30% | 0.299 | C | S | . | . | trans | -141 | 136.5 | -175.2 | -176.9 | 0 | 0 | 0 | 0 | 109.8 | A73 I74 F95 | A73-V93 HydrophobicContact CB-CG2 3.92Å; A73-V93 WeakPolarHBondContact O-CG2 3.34Å; I74-V93 HydrophobicContact CG2-CB 3.97Å; I74-V93 HydrophobicContact CG2-CG2 3.61Å; V93-F95 HydrophobicContact CB-CD2 4.42Å; V93-F95 HydrophobicContact CB-CE2 3.74Å; V93-F95 HydrophobicContact CB-CZ 3.95Å; V93-F95 HydrophobicContact CG1-CD1 4.38Å; V93-F95 HydrophobicContact CG1-CD2 4.15Å; V93-F95 HydrophobicContact CG1-CE1 3.9Å; V93-F95 HydrophobicContact CG1-CE2 3.64Å; V93-F95 HydrophobicContact CG1-CG 4.48Å; V93-F95 HydrophobicContact CG1-CZ 3.49Å; V93-F95 VanDerWaalsContact CG1-CZ 3.49Å | ||
| 94 | D | 90.1 | Very high | 90.6 | Very high | 67 Ų | 67 | 54.8 Ų | 54.8 | 36% | 0.358 | 28% | 0.28 | S | S | . | . | trans | -104.2 | 101.5 | -179.5 | -175.9 | 27.7 | 0 | 0 | 0 | 110.4 | R96 K222 | D94-R96 PolarHBondContact O-N 3.37Å; D94-R96 IonicContact OD1-NE 3.13Å; D94-R96 IonicContact OD1-NH2 2.64Å; D94-R96 IonicContact OD2-CZ 2.99Å; D94-R96 IonicContact OD2-NE 3.17Å; D94-R96 PolarHBondContact OD2-NE 3.26Å; D94-R96 IonicContact OD2-NH2 3.95Å; D94-R96 PolarHBondContact OD2-NH2 3.43Å; D94-K222 WeakPolarHBondContact OD1-CE 3.27Å; D94-K222 IonicContact OD1-NZ 2.81Å; D94-K222 PolarHBondContact OD1-NZ 3.49Å | ||
| 95 | F | 93.9 | Very high | 90.4 | Very high | 15 Ų | 15 | 55.6 Ų | 55.6 | 7% | 0.066 | 29% | 0.294 | C | S | . | . | trans | -85.3 | 96.6 | -179.5 | -68 | -76.7 | 0 | 0 | 0 | 109.7 | F63 V65 A68 I74 L89 V93 V219 L220 | F63-F95 HydrophobicContact CB-CD1 4.37Å; F63-F95 HydrophobicContact CD1-CB 3.89Å; V65-F95 HydrophobicContact CB-CE1 4.35Å; V65-F95 HydrophobicContact CG2-CD1 3.96Å; V65-F95 HydrophobicContact CG2-CE1 3.89Å; V65-F95 HydrophobicContact CG2-CZ 4.48Å; A68-F95 HydrophobicContact CB-CE1 3.93Å; A68-F95 HydrophobicContact CB-CZ 3.99Å; I74-F95 HydrophobicContact CD1-CZ 3.94Å; I74-F95 HydrophobicContact CG2-CE2 4.04Å; I74-F95 HydrophobicContact CG2-CZ 3.85Å; L89-F95 HydrophobicContact CD2-CD2 3.99Å; L89-F95 HydrophobicContact CD2-CE2 4.18Å; L89-F95 HydrophobicContact CG-CD2 4.15Å; L89-F95 HydrophobicContact CG-CE2 3.86Å; V93-F95 HydrophobicContact CB-CD2 4.42Å; V93-F95 HydrophobicContact CB-CE2 3.74Å; V93-F95 HydrophobicContact CB-CZ 3.95Å; V93-F95 HydrophobicContact CG1-CD1 4.38Å; V93-F95 HydrophobicContact CG1-CD2 4.15Å; V93-F95 HydrophobicContact CG1-CE1 3.9Å; V93-F95 HydrophobicContact CG1-CE2 3.64Å; V93-F95 HydrophobicContact CG1-CG 4.48Å; V93-F95 HydrophobicContact CG1-CZ 3.49Å; V93-F95 VanDerWaalsContact CG1-CZ 3.49Å; F95-V219 WeakPolarHBondContact O-CA 3.16Å; F95-L220 HydrophobicContact CB-CB 4.1Å; F95-L220 HydrophobicContact CB-CD1 4.03Å; F95-L220 HydrophobicContact CB-CG 4.18Å; F95-L220 PolarHBondContact O-N 2.82Å; F95-L220 VanDerWaalsContact O-N 3.17Å | ||
| 96 | R | 94.6 | Very high | 90.1 | Very high | 86 Ų | 86 | 53 Ų | 53 | 33% | 0.325 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 140.3 | 175.6 | 67.6 | 172.8 | 77.4 | -168.7 | 6.2 | 111.9 | D94 F217 A218 V219 | D94-R96 PolarHBondContact O-N 3.37Å; D94-R96 IonicContact OD1-NE 3.13Å; D94-R96 IonicContact OD1-NH2 2.64Å; D94-R96 IonicContact OD2-CZ 2.99Å; D94-R96 IonicContact OD2-NE 3.17Å; D94-R96 PolarHBondContact OD2-NE 3.26Å; D94-R96 IonicContact OD2-NH2 3.95Å; D94-R96 PolarHBondContact OD2-NH2 3.43Å; R96-F217 HydrophobicContact CB-CB 4.31Å; R96-F217 HydrophobicContact CB-CD1 4.23Å; R96-F217 HydrophobicContact CB-CG 4.49Å; R96-F217 HydrophobicContact CG-CD1 4.22Å; R96-A218 CarbonylContact C-O 3.6Å; R96-A218 WeakPolarHBondContact CA-O 3.46Å; R96-V219 HydrophobicContact CB-CG1 3.68Å |
| 97 | I | 95.4 | Very high | 89.9 | Confident | 23 Ų | 23 | 54.5 Ų | 54.5 | 12% | 0.118 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 135.6 | 173.2 | -56 | 176.9 | 0 | 0 | 0 | 108 | Q62 F63 T99 N101 L102 F217 A218 | Q62-I97 HydrophobicContact CB-CD1 4.2Å; Q62-I97 VanDerWaalsContact O-CD1 3.25Å; Q62-I97 WeakPolarHBondContact O-CD1 3.47Å; F63-I97 HydrophobicContact CB-CD1 4.3Å; F63-I97 HydrophobicContact CD1-CD1 3.82Å; F63-I97 HydrophobicContact CD1-CG1 3.72Å; F63-I97 HydrophobicContact CD2-CD1 3.74Å; F63-I97 HydrophobicContact CD2-CG1 4.49Å; F63-I97 HydrophobicContact CE1-CB 4.4Å; F63-I97 HydrophobicContact CE1-CD1 4.07Å; F63-I97 HydrophobicContact CE1-CG1 3.79Å; F63-I97 HydrophobicContact CE2-CD1 3.98Å; F63-I97 HydrophobicContact CG-CD1 3.67Å; F63-I97 HydrophobicContact CG-CG1 4.11Å; F63-I97 HydrophobicContact CZ-CD1 4.16Å; F63-I97 HydrophobicContact CZ-CG1 4.23Å; I97-T99 PolarHBondContact O-N 2.77Å; I97-N101 HydrophobicContact CG2-CB 4.31Å; I97-L102 HydrophobicContact CB-CD1 4.07Å; I97-L102 HydrophobicContact CB-CG 4.34Å; I97-L102 HydrophobicContact CD1-CD1 4.08Å; I97-L102 HydrophobicContact CD1-CD2 4.16Å; I97-L102 HydrophobicContact CD1-CG 4.46Å; I97-L102 HydrophobicContact CG2-CD1 4.08Å; I97-L102 HydrophobicContact CG2-CD2 4.07Å; I97-L102 HydrophobicContact CG2-CG 3.78Å; I97-F217 CarbonylContact O-C 3.6Å; I97-F217 VanDerWaalsContact O-CA 3.26Å; I97-F217 WeakPolarHBondContact O-CA 3.15Å; I97-A218 PolarHBondContact N-O 2.96Å; I97-A218 PolarHBondContact O-N 3.21Å |
| 98 | P | 96.1 | Very high | 89.7 | Confident | 41 Ų | 41 | 53.9 Ų | 53.9 | 27% | 0.266 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.7 | 126.9 | 173.3 | -25 | 33.8 | 0 | 0 | 0 | 111 | R100 N101 G216 F217 | P98-R100 VanDerWaalsContact C-N 3.27Å; P98-R100 HydrophobicContact CB-CG 4.22Å; P98-R100 PolarHBondContact O-N 3.39Å; P98-N101 WeakPolarHBondContact O-CB 3.37Å; P98-N101 PolarHBondContact O-N 2.95Å; P98-G216 WeakPolarHBondContact CA-O 3.26Å; P98-F217 HydrophobicContact CG-CD1 4.31Å; P98-F217 HydrophobicContact CG-CE1 4.02Å |
| 99 | T | 94.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.9 | -42.8 | -174 | -56.7 | 0 | 0 | 0 | 0 | 111 | I97 N101 L102 Y103 I133 T214 G216 F217 A218 | I97-T99 PolarHBondContact O-N 2.77Å; T99-N101 PolarHBondContact O-N 2.78Å; T99-L102 PolarHBondContact O-N 2.98Å; T99-Y103 HydrophobicContact CG2-CD2 4.23Å; T99-Y103 CarbonylContact O-C 3.57Å; T99-Y103 PolarHBondContact O-N 3.02Å; T99-I133 HydrophobicContact CG2-CD1 4.2Å; T99-I133 HydrophobicContact CG2-CG2 3.67Å; T99-T214 WeakPolarHBondContact CB-O 3.19Å; T99-T214 HydrophobicContact CG2-CG2 4.2Å; T99-G216 PolarHBondContact N-O 3.3Å; T99-G216 PolarHBondContact OG1-O 2.8Å; T99-F217 VanDerWaalsContact OG1-CA 3.27Å; T99-F217 WeakPolarHBondContact OG1-CA 3.33Å; T99-F217 PolarHBondContact OG1-N 2.84Å; T99-A218 PolarHBondContact OG1-N 3.34Å |
| 100 | R | 93.5 | Very high | 89.6 | Confident | 117 Ų | 117 | 56.9 Ų | 56.9 | 44% | 0.442 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -52.2 | -25.3 | 174.6 | 75.1 | -176.5 | 85.5 | -123.6 | 1.6 | 115.5 | P98 T214 D215 | P98-R100 VanDerWaalsContact C-N 3.27Å; P98-R100 HydrophobicContact CB-CG 4.22Å; P98-R100 PolarHBondContact O-N 3.39Å; R100-T214 PolarHBondContact N-O 3.15Å; R100-D215 IonicContact CZ-OD1 3.93Å; R100-D215 IonicContact NH1-OD1 2.82Å; R100-D215 PolarHBondContact NH1-OD1 2.76Å; R100-D215 PolarHBondContact NH2-O 3.22Å; R100-D215 VanDerWaalsContact NH2-O 3.1Å; R100-D215 IonicContact NH2-OD1 3.8Å; R100-D215 PolarHBondContact NH2-OD1 3Å |
| 101 | N | 91.9 | Very high | 90.2 | Very high | 106 Ų | 106 | 56.5 Ų | 56.5 | 57% | 0.567 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -82.1 | -26.2 | 179.9 | -67.3 | -4.2 | 0 | 0 | 0 | 112.5 | I97 P98 T99 | I97-N101 HydrophobicContact CG2-CB 4.31Å; P98-N101 WeakPolarHBondContact O-CB 3.37Å; P98-N101 PolarHBondContact O-N 2.95Å; T99-N101 PolarHBondContact O-N 2.78Å |
| 102 | L | 89.1 | Confident | 91.3 | Very high | 26 Ų | 26 | 50.7 Ų | 50.7 | 14% | 0.136 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -97.9 | -44.9 | 178.4 | -61.4 | -179.8 | 0 | 0 | 0 | 111.3 | Q62 F63 I97 T99 A218 | Q62-L102 HydrophobicContact CB-CD2 4.35Å; Q62-L102 HydrophobicContact CG-CD2 4.41Å; F63-L102 HydrophobicContact CE2-CD1 4.44Å; I97-L102 HydrophobicContact CB-CD1 4.07Å; I97-L102 HydrophobicContact CB-CG 4.34Å; I97-L102 HydrophobicContact CD1-CD1 4.08Å; I97-L102 HydrophobicContact CD1-CD2 4.16Å; I97-L102 HydrophobicContact CD1-CG 4.46Å; I97-L102 HydrophobicContact CG2-CD1 4.08Å; I97-L102 HydrophobicContact CG2-CD2 4.07Å; I97-L102 HydrophobicContact CG2-CG 3.78Å; T99-L102 PolarHBondContact O-N 2.98Å; L102-A218 HydrophobicContact CD1-CB 3.84Å |
| 103 | Y | 90.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | trans | -133.9 | 67.7 | -167.1 | -47 | -55.9 | 0 | 0 | 0 | 109.1 | L43 T99 S105 G106 L107 W131 I133 T214 A218 I240 | L43-Y103 HydrophobicContact CD1-CD1 3.8Å; L43-Y103 HydrophobicContact CD1-CE1 4.12Å; L43-Y103 HydrophobicContact CD2-CD1 3.53Å; L43-Y103 HydrophobicContact CD2-CE1 3.76Å; L43-Y103 HydrophobicContact CG-CD1 4.32Å; T99-Y103 HydrophobicContact CG2-CD2 4.23Å; T99-Y103 CarbonylContact O-C 3.57Å; T99-Y103 PolarHBondContact O-N 3.02Å; Y103-S105 PolarHBondContact O-N 3.27Å; Y103-G106 PolarHBondContact O-N 3.24Å; Y103-G106 VanDerWaalsContact O-N 3.07Å; Y103-L107 HydrophobicContact CD1-CD2 3.85Å; Y103-L107 HydrophobicContact CD2-CD2 4.14Å; Y103-L107 HydrophobicContact CE1-CD2 3.93Å; Y103-L107 HydrophobicContact CE2-CD2 4.22Å; Y103-L107 HydrophobicContact CG-CD2 3.97Å; Y103-W131 HydrophobicContact CE2-CZ2 4.18Å; Y103-I133 HydrophobicContact CD2-CD1 3.71Å; Y103-I133 HydrophobicContact CE2-CD1 4.08Å; Y103-T214 WeakPolarHBondContact O-CG2 3.33Å; Y103-A218 HydrophobicContact CE2-CB 4.43Å; Y103-I240 WeakPolarHBondContact OH-CD1 3.43Å | ||
| 104 | P | 88.8 | Confident | 93.2 | Very high | 67 Ų | 67 | 41.9 Ų | 41.9 | 44% | 0.435 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -36.7 | -176.9 | 23.5 | -33.1 | 0 | 0 | 0 | 112.4 | ||
| 105 | S | 88.4 | Confident | 93.6 | Very high | 98 Ų | 98 | 38.7 Ų | 38.7 | 69% | 0.685 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 12.7 | 177.8 | -47.4 | 0 | 0 | 0 | 0 | 113 | Y103 | Y103-S105 PolarHBondContact O-N 3.27Š|
| 106 | G | 89.6 | Confident | 93.8 | Very high | 7 Ų | 7 | 38 Ų | 38 | 7% | 0.072 | 20% | 0.198 | C | C | . | . | trans | 80.3 | -166.8 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y103 | Y103-G106 PolarHBondContact O-N 3.24Å; Y103-G106 VanDerWaalsContact O-N 3.07Å | ||
| 107 | L | 92.8 | Very high | 94 | Very high | 32 Ų | 32 | 33.9 Ų | 33.9 | 17% | 0.168 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -85.4 | 149.4 | 177.5 | -63.6 | 170.1 | 0 | 0 | 0 | 110.3 | L43 Y103 Y111 W131 I133 V142 I212 | L43-L107 HydrophobicContact CD2-CD2 4.42Å; Y103-L107 HydrophobicContact CD1-CD2 3.85Å; Y103-L107 HydrophobicContact CD2-CD2 4.14Å; Y103-L107 HydrophobicContact CE1-CD2 3.93Å; Y103-L107 HydrophobicContact CE2-CD2 4.22Å; Y103-L107 HydrophobicContact CG-CD2 3.97Å; L107-Y111 HydrophobicContact CB-CE1 4.15Å; L107-Y111 HydrophobicContact CD1-CE1 4.25Å; L107-W131 HydrophobicContact CD1-CH2 3.77Å; L107-W131 HydrophobicContact CD2-CH2 4.33Å; L107-I133 HydrophobicContact CD1-CD1 3.92Å; L107-I133 HydrophobicContact CD2-CD1 4.23Å; L107-I133 HydrophobicContact CG-CD1 3.99Å; L107-V142 HydrophobicContact CD1-CB 4.17Å; L107-V142 HydrophobicContact CD1-CG1 3.87Å; L107-V142 HydrophobicContact CD1-CG2 4.11Å; L107-I212 HydrophobicContact CG-CD1 4.35Å |
| 108 | P | 92.7 | Very high | 94.1 | Very high | 20 Ų | 20 | 36.1 Ų | 36.1 | 13% | 0.13 | 19% | 0.189 | C | C | . | . | trans | -62 | 159.4 | 175.7 | 31.2 | -41.9 | 0 | 0 | 0 | 111.5 | L43 C44 E110 Y111 | L43-P108 VanDerWaalsContact CD2-CD 3.42Å; L43-P108 HydrophobicContact CD2-CG 4.31Å; C44-P108 HydrophobicContact CB-CB 4.08Å; C44-P108 HydrophobicContact CB-CG 4.45Å; C44-P108 VanDerWaalsContact SG-CG 3.57Å; P108-E110 WeakPolarHBondContact CG-O 3.4Å; P108-E110 PolarHBondContact O-N 3.13Å; P108-Y111 HydrophobicContact CG-CD1 3.94Å; P108-Y111 HydrophobicContact CG-CG 4.22Å; P108-Y111 WeakPolarHBondContact O-CD1 3.27Å | ||
| 109 | E | 91.8 | Very high | 94.1 | Very high | 93 Ų | 93 | 34.3 Ų | 34.3 | 44% | 0.435 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -62.8 | -25.5 | 172.4 | -170.9 | 177 | -153.9 | 0 | 0 | 111.5 | R189 R209 | E109-R189 IonicContact OE1-CZ 2.72Å; E109-R189 VanDerWaalsContact OE1-CZ 3.31Å; E109-R189 IonicContact OE1-NE 2.81Å; E109-R189 IonicContact OE1-NH1 3.15Å; E109-R189 PolarHBondContact OE1-NH1 2.79Å; E109-R189 IonicContact OE1-NH2 3.9Å; E109-R189 IonicContact OE2-CZ 2.73Å; E109-R189 IonicContact OE2-NH1 2.65Å; E109-R189 PolarHBondContact OE2-NH1 3.47Å; E109-R189 IonicContact OE2-NH2 2.71Å; E109-R189 PolarHBondContact OE2-NH2 3.04Å; E109-R209 PolarHBondContact O-NH1 2.97Å; E109-R209 PolarHBondContact O-NH2 2.83Å |
| 110 | E | 94.1 | Very high | 94.1 | Very high | 75 Ų | 75 | 37.4 Ų | 37.4 | 35% | 0.35 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -136.3 | 132.3 | 177.3 | -61.1 | -175.7 | 133.2 | 0 | 0 | 109.4 | P108 V187 R189 P244 | P108-E110 WeakPolarHBondContact CG-O 3.4Å; P108-E110 PolarHBondContact O-N 3.13Å; E110-V187 WeakPolarHBondContact CA-O 3.31Å; E110-R189 PolarHBondContact OE1-N 3.31Å; E110-P244 HydrophobicContact CB-CB 4.32Å; E110-P244 HydrophobicContact CB-CG 4.03Å |
| 111 | Y | 96.1 | Very high | 94.1 | Very high | 5 Ų | 5 | 34.4 Ų | 34.4 | 2% | 0.02 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.1 | 170.7 | 177.8 | 64.2 | -84.4 | 0 | 0 | 0 | 110 | L107 P108 F155 V187 I240 H241 | L107-Y111 HydrophobicContact CB-CE1 4.15Å; L107-Y111 HydrophobicContact CD1-CE1 4.25Å; P108-Y111 HydrophobicContact CG-CD1 3.94Å; P108-Y111 HydrophobicContact CG-CG 4.22Å; P108-Y111 WeakPolarHBondContact O-CD1 3.27Å; Y111-F155 WeakPolarHBondContact OH-CE2 3.2Å; Y111-V187 HydrophobicContact CD1-CB 4.3Å; Y111-V187 HydrophobicContact CD2-CG2 4.46Å; Y111-V187 HydrophobicContact CE1-CB 4.12Å; Y111-V187 HydrophobicContact CE1-CG1 4.15Å; Y111-V187 HydrophobicContact CE1-CG2 4.35Å; Y111-V187 HydrophobicContact CE2-CB 4.44Å; Y111-V187 HydrophobicContact CE2-CG2 3.96Å; Y111-V187 PolarHBondContact N-O 3.11Å; Y111-V187 CarbonylContact O-C 3.58Å; Y111-V187 WeakPolarHBondContact O-CA 3.36Å; Y111-V187 WeakPolarHBondContact O-CB 3.25Å; Y111-V187 PolarHBondContact O-N 3.32Å; Y111-V187 VanDerWaalsContact O-O 3.08Å; Y111-I240 HydrophobicContact CD2-CG2 4.19Å; Y111-H241 CarbonylContact C-O 3.52Å; Y111-H241 VanDerWaalsContact CA-O 3.28Å; Y111-H241 WeakPolarHBondContact CA-O 3.15Å; Y111-H241 WeakPolarHBondContact CB-O 3.41Å |
| 112 | S | 97.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 147.7 | 165.7 | 55 | 0 | 0 | 0 | 0 | 111.1 | I185 I240 H241 D243 R246 | S112-I185 CarbonylContact C-O 3.5Å; S112-I185 WeakPolarHBondContact CA-O 3.3Å; S112-I240 CarbonylContact O-C 3.59Å; S112-I240 WeakPolarHBondContact O-CA 3.47Å; S112-H241 PolarHBondContact N-O 3.01Å; S112-H241 PolarHBondContact O-N 2.9Å; S112-D243 WeakPolarHBondContact CB-O 3.07Å; S112-D243 PolarHBondContact OG-O 2.96Å; S112-R246 WeakPolarHBondContact OG-CB 3.32Å |
| 113 | F | 98.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 131.3 | 170.5 | 174.9 | -87.1 | 0 | 0 | 0 | 108.5 | L59 T115 I130 W131 I144 M184 I185 M238 L239 I240 | L59-F113 HydrophobicContact CD2-CE2 4.48Å; F113-T115 HydrophobicContact CD1-CG2 4.4Å; F113-T115 HydrophobicContact CE1-CG2 3.42Å; F113-T115 VanDerWaalsContact CE1-CG2 3.42Å; F113-T115 HydrophobicContact CZ-CG2 3.95Å; F113-I130 HydrophobicContact CE1-CG2 4.39Å; F113-I130 HydrophobicContact CZ-CG2 4.29Å; F113-W131 HydrophobicContact CD2-CD2 4.4Å; F113-W131 HydrophobicContact CD2-CE3 4.24Å; F113-W131 HydrophobicContact CE2-CB 3.68Å; F113-W131 HydrophobicContact CE2-CD2 4.02Å; F113-W131 HydrophobicContact CE2-CE3 4.18Å; F113-W131 AromaticContact CE2-CG 3.82Å; F113-W131 HydrophobicContact CE2-CG 3.82Å; F113-W131 HydrophobicContact CZ-CB 3.83Å; F113-W131 HydrophobicContact CZ-CG 4.46Å; F113-I144 HydrophobicContact CB-CD1 3.63Å; F113-I144 HydrophobicContact CD1-CD1 3.04Å; F113-I144 HydrophobicContact CD1-CG1 4.48Å; F113-I144 HydrophobicContact CD2-CD1 3.77Å; F113-I144 HydrophobicContact CE1-CD1 3.45Å; F113-I144 VanDerWaalsContact CE1-CD1 3.45Å; F113-I144 HydrophobicContact CE2-CD1 4.15Å; F113-I144 HydrophobicContact CG-CD1 3.19Å; F113-I144 HydrophobicContact CZ-CD1 4Å; F113-M184 CarbonylContact O-C 3.22Å; F113-M184 WeakPolarHBondContact O-CA 3.34Å; F113-I185 PolarHBondContact N-O 3.36Å; F113-I185 PolarHBondContact O-N 3.29Å; F113-M238 HydrophobicContact CE2-CG 3.85Å; F113-M238 HydrophobicContact CE2-SD 4.01Å; F113-M238 HydrophobicContact CZ-CE 4.1Å; F113-M238 HydrophobicContact CZ-CG 3.92Å; F113-M238 HydrophobicContact CZ-SD 4.04Å; F113-L239 WeakPolarHBondContact CA-O 3.31Å; F113-I240 HydrophobicContact CD2-CD1 4.3Å; F113-I240 HydrophobicContact CD2-CG1 3.81Å |
| 114 | L | 98.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 135.1 | 179.8 | -58.4 | 87.2 | 0 | 0 | 0 | 108.7 | M184 W237 M238 L239 H241 R246 E250 | L114-M184 HydrophobicContact CB-CG 3.99Å; L114-M184 HydrophobicContact CD2-CB 4.49Å; L114-M184 HydrophobicContact CD2-CG 3.87Å; L114-M184 HydrophobicContact CD2-SD 3.65Å; L114-M184 HydrophobicContact CG-CB 4.07Å; L114-M184 HydrophobicContact CG-CG 3.77Å; L114-M184 HydrophobicContact CG-SD 4.22Å; L114-W237 HydrophobicContact CB-CE3 4.41Å; L114-W237 HydrophobicContact CB-CH2 4.04Å; L114-W237 HydrophobicContact CB-CZ3 3.77Å; L114-W237 HydrophobicContact CD2-CH2 3.79Å; L114-W237 HydrophobicContact CD2-CZ3 3.97Å; L114-M238 CarbonylContact O-C 3.55Å; L114-M238 WeakPolarHBondContact O-CA 3.47Å; L114-L239 HydrophobicContact CB-CB 4.41Å; L114-L239 HydrophobicContact CD1-CD2 4.34Å; L114-L239 HydrophobicContact CD1-CG 4.48Å; L114-L239 PolarHBondContact N-O 2.83Å; L114-L239 PolarHBondContact O-N 2.87Å; L114-H241 HydrophobicContact CD1-CB 4.34Å; L114-R246 HydrophobicContact CD1-CG 4.21Å; L114-R246 HydrophobicContact CD2-CG 4.25Å; L114-E250 HydrophobicContact CD2-CB 4.47Å; L114-E250 HydrophobicContact CD2-CG 4.32Å |
| 115 | T | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 139.4 | 172.3 | -171.8 | 0 | 0 | 0 | 0 | 112.6 | F113 F117 I130 K182 I183 L235 W237 | F113-T115 HydrophobicContact CD1-CG2 4.4Å; F113-T115 HydrophobicContact CE1-CG2 3.42Å; F113-T115 VanDerWaalsContact CE1-CG2 3.42Å; F113-T115 HydrophobicContact CZ-CG2 3.95Å; T115-F117 HydrophobicContact CG2-CD1 4.04Å; T115-I130 HydrophobicContact CG2-CD1 3.81Å; T115-K182 CarbonylContact O-C 3.39Å; T115-K182 WeakPolarHBondContact O-CA 3.49Å; T115-I183 HydrophobicContact CG2-CD1 3.98Å; T115-I183 HydrophobicContact CG2-CG1 3.47Å; T115-I183 VanDerWaalsContact CG2-CG1 3.47Å; T115-I183 PolarHBondContact N-O 3.32Å; T115-I183 PolarHBondContact O-N 3.02Å; T115-L235 WeakPolarHBondContact OG1-CD1 3.43Å; T115-W237 CarbonylContact C-O 3.47Å; T115-W237 WeakPolarHBondContact CA-O 3.46Å; T115-W237 WeakPolarHBondContact CB-O 3.34Å; T115-W237 PolarHBondContact OG1-O 2.81Å |
| 116 | T | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 118.1 | 171.1 | -54.4 | 0 | 0 | 0 | 0 | 108.6 | W180 H181 K182 Q236 W237 L255 | T116-W180 HydrophobicContact CG2-CE3 4.06Å; T116-H181 CarbonylContact C-O 3.6Å; T116-H181 VanDerWaalsContact CA-O 3.31Å; T116-H181 WeakPolarHBondContact CA-O 3.21Å; T116-K182 VanDerWaalsContact OG1-CE 3.32Å; T116-K182 WeakPolarHBondContact OG1-CE 3.43Å; T116-Q236 HydrophobicContact CG2-CB 4.15Å; T116-Q236 PolarHBondContact O-N 3.11Å; T116-W237 PolarHBondContact N-O 2.85Å; T116-W237 PolarHBondContact O-N 2.65Å; T116-L255 HydrophobicContact CG2-CD2 4.11Å |
| 117 | F | 97.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 165.5 | -174.3 | 76.1 | -77.5 | 0 | 0 | 0 | 111.7 | T115 M119 W128 I130 I146 L175 H181 I183 F233 E234 L235 | T115-F117 HydrophobicContact CG2-CD1 4.04Å; F117-M119 HydrophobicContact CD2-CG 4.46Å; F117-M119 HydrophobicContact CE2-CB 4.41Å; F117-M119 HydrophobicContact CE2-CE 4.19Å; F117-M119 HydrophobicContact CE2-CG 3.9Å; F117-M119 HydrophobicContact CE2-SD 4.04Å; F117-M119 HydrophobicContact CZ-CE 4.47Å; F117-W128 HydrophobicContact CD2-CH2 4.29Å; F117-W128 HydrophobicContact CE2-CH2 4.35Å; F117-W128 HydrophobicContact CE2-CZ2 4.19Å; F117-I130 HydrophobicContact CB-CD1 3.95Å; F117-I130 HydrophobicContact CD1-CD1 3.62Å; F117-I130 HydrophobicContact CD2-CD1 3.91Å; F117-I130 HydrophobicContact CE1-CD1 4.07Å; F117-I130 HydrophobicContact CE2-CD1 4.33Å; F117-I130 HydrophobicContact CG-CD1 3.54Å; F117-I130 HydrophobicContact CZ-CD1 4.41Å; F117-I146 HydrophobicContact CD2-CD1 4.47Å; F117-I146 HydrophobicContact CE1-CD1 4.15Å; F117-I146 HydrophobicContact CE2-CD1 3.58Å; F117-I146 HydrophobicContact CZ-CD1 3.39Å; F117-I146 HydrophobicContact CZ-CG1 4.48Å; F117-L175 HydrophobicContact CE1-CD1 4.41Å; F117-L175 HydrophobicContact CZ-CD1 4.09Å; F117-H181 PolarHBondContact N-O 3.07Å; F117-H181 PolarHBondContact O-N 2.96Å; F117-I183 HydrophobicContact CD1-CG1 4.41Å; F117-I183 HydrophobicContact CE1-CB 4.44Å; F117-I183 HydrophobicContact CE1-CD1 3.76Å; F117-I183 HydrophobicContact CE1-CG1 3.82Å; F117-I183 HydrophobicContact CE1-CG2 3.9Å; F117-I183 HydrophobicContact CZ-CD1 4.4Å; F117-F233 HydrophobicContact CB-CD2 4.22Å; F117-E234 CarbonylContact C-O 3.56Å; F117-E234 WeakPolarHBondContact CA-O 3.48Å; F117-E234 WeakPolarHBondContact CB-O 3.39Å; F117-L235 HydrophobicContact CB-CD1 4.41Å |
| 118 | R | 97.2 | Very high | 95.9 | Very high | 69 Ų | 69 | 36 Ų | 36 | 26% | 0.26 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 132.8 | 172 | 179.2 | 172.6 | 75.7 | 161.8 | 6.1 | 109.2 | T120 S178 W180 E234 | R118-T120 HydrophobicContact CG-CG2 4.02Å; R118-S178 WeakPolarHBondContact CD-O 3.27Å; R118-S178 WeakPolarHBondContact CG-O 3.45Å; R118-W180 HydrophobicContact CB-CD2 3.76Å; R118-W180 HydrophobicContact CB-CE3 3.82Å; R118-W180 HydrophobicContact CB-CG 4.28Å; R118-W180 HydrophobicContact CB-CH2 4.07Å; R118-W180 HydrophobicContact CB-CZ2 4.08Å; R118-W180 HydrophobicContact CB-CZ3 3.98Å; R118-E234 HydrophobicContact CB-CB 4.31Å; R118-E234 IonicContact CZ-OE1 3.96Å; R118-E234 IonicContact CZ-OE2 3.94Å; R118-E234 PolarHBondContact N-O 2.89Å; R118-E234 IonicContact NE-OE1 3.78Å; R118-E234 IonicContact NE-OE2 2.79Å; R118-E234 PolarHBondContact NE-OE2 3.2Å; R118-E234 IonicContact NH2-OE1 3.25Å; R118-E234 PolarHBondContact NH2-OE1 2.88Å; R118-E234 IonicContact NH2-OE2 3.43Å; R118-E234 PolarHBondContact NH2-OE2 2.89Å; R118-E234 PolarHBondContact O-N 3.38Å |
| 119 | M | 96 | Very high | 96.1 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | trans | -123.8 | 140.6 | 174.5 | 52.4 | 173.1 | 175.2 | 0 | 0 | 109.5 | F117 T123 L124 W128 I146 L175 F176 S178 | F117-M119 HydrophobicContact CD2-CG 4.46Å; F117-M119 HydrophobicContact CE2-CB 4.41Å; F117-M119 HydrophobicContact CE2-CE 4.19Å; F117-M119 HydrophobicContact CE2-CG 3.9Å; F117-M119 HydrophobicContact CE2-SD 4.04Å; F117-M119 HydrophobicContact CZ-CE 4.47Å; M119-T123 HydrophobicContact CB-CG2 3.75Å; M119-L124 HydrophobicContact CE-CD2 4.17Å; M119-L124 HydrophobicContact CG-CD2 3.76Å; M119-L124 WeakPolarHBondContact O-CD2 3.49Å; M119-L124 HydrophobicContact SD-CD2 4.11Å; M119-W128 HydrophobicContact CB-CZ2 4.31Å; M119-W128 HydrophobicContact SD-CZ2 3.99Å; M119-I146 HydrophobicContact CE-CG2 3.94Å; M119-I146 HydrophobicContact SD-CG2 3.96Å; M119-L175 HydrophobicContact CE-CG 4.15Å; M119-L175 WeakPolarHBondContact CE-O 3.39Å; M119-F176 HydrophobicContact CE-CB 4.48Å; M119-F176 HydrophobicContact CE-CD1 3.32Å; M119-F176 HydrophobicContact CE-CD2 4.48Å; M119-F176 HydrophobicContact CE-CE1 3.49Å; M119-F176 VanDerWaalsContact CE-CE1 3.49Å; M119-F176 HydrophobicContact CE-CG 3.86Å; M119-F176 HydrophobicContact CE-CZ 4.16Å; M119-F176 HydrophobicContact SD-CD1 4.23Å; M119-F176 HydrophobicContact SD-CE1 4.29Å; M119-S178 WeakPolarHBondContact O-CA 3.41Å | ||
| 120 | T | 94.4 | Very high | 96.4 | Very high | 66 Ų | 66 | 30.7 Ų | 30.7 | 41% | 0.405 | 17% | 0.166 | S | C | . | . | trans | -140.4 | 164.8 | -173.9 | 65.5 | 0 | 0 | 0 | 0 | 111.5 | R118 S122 T123 | R118-T120 HydrophobicContact CG-CG2 4.02Å; T120-S122 PolarHBondContact O-N 3.49Å; T120-T123 WeakPolarHBondContact O-CB 3.45Å; T120-T123 PolarHBondContact O-N 3.03Å | ||
| 121 | G | 93.6 | Very high | 96.6 | Very high | 53 Ų | 53 | 27.1 Ų | 27.1 | 55% | 0.546 | 15% | 0.149 | S | C | . | . | G | 310 helix | trans | 60.4 | -130.5 | 173 | 0 | 0 | 0 | 0 | 0 | 113.2 | T123 L124 | G121-T123 PolarHBondContact O-N 3.25Å; G121-L124 PolarHBondContact O-N 3.19Å |
| 122 | S | 93.5 | Very high | 96.6 | Very high | 80 Ų | 80 | 27.1 Ų | 27.1 | 56% | 0.559 | 15% | 0.149 | S | C | * | . | G | 310 helix | trans | -67.9 | -19.7 | -177.1 | 64.6 | 0 | 0 | 0 | 0 | 113.7 | T120 L124 K125 K126 | T120-S122 PolarHBondContact O-N 3.49Å; S122-L124 VanDerWaalsContact C-N 3.25Å; S122-L124 PolarHBondContact O-N 2.9Å; S122-K125 PolarHBondContact O-N 2.87Å; S122-K126 WeakPolarHBondContact O-CG 3.49Å |
| 123 | T | 95.4 | Very high | 96.6 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -64.2 | -30.9 | 178.8 | -61.7 | 0 | 0 | 0 | 0 | 112.4 | M119 T120 G121 K125 K126 W128 V231 P232 | M119-T123 HydrophobicContact CB-CG2 3.75Å; T120-T123 WeakPolarHBondContact O-CB 3.45Å; T120-T123 PolarHBondContact O-N 3.03Å; G121-T123 PolarHBondContact O-N 3.25Å; T123-K125 PolarHBondContact O-N 2.83Å; T123-K125 VanDerWaalsContact O-N 3.1Å; T123-K126 PolarHBondContact O-N 2.95Å; T123-W128 HydrophobicContact CG2-CZ2 4.09Å; T123-V231 HydrophobicContact CG2-CG1 3.41Å; T123-V231 VanDerWaalsContact CG2-CG1 3.41Å; T123-P232 PolarHBondContact OG1-O 2.78Å |
| 124 | L | 96.3 | Very high | 96.5 | Very high | 29 Ų | 29 | 27.4 Ų | 27.4 | 15% | 0.152 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -60.5 | -22.5 | 179.1 | -65.3 | 170.6 | 0 | 0 | 0 | 113.9 | M119 G121 S122 G148 F176 S178 | M119-L124 HydrophobicContact CE-CD2 4.17Å; M119-L124 HydrophobicContact CG-CD2 3.76Å; M119-L124 WeakPolarHBondContact O-CD2 3.49Å; M119-L124 HydrophobicContact SD-CD2 4.11Å; G121-L124 PolarHBondContact O-N 3.19Å; S122-L124 VanDerWaalsContact C-N 3.25Å; S122-L124 PolarHBondContact O-N 2.9Å; L124-G148 WeakPolarHBondContact O-CA 3.49Å; L124-F176 HydrophobicContact CD2-CB 4.19Å; L124-F176 HydrophobicContact CD2-CD1 4.48Å; L124-F176 WeakPolarHBondContact O-CD1 3.49Å; L124-S178 WeakPolarHBondContact CD1-OG 3.42Å |
| 125 | K | 95.8 | Very high | 96.3 | Very high | 168 Ų | 168 | 28.1 Ų | 28.1 | 73% | 0.73 | 15% | 0.154 | S | C | * | . | G | 310 helix | trans | -104 | -0 | -179.2 | -60.5 | -174 | 178.8 | -175.7 | 0 | 113.1 | S122 T123 | S122-K125 PolarHBondContact O-N 2.87Å; T123-K125 PolarHBondContact O-N 2.83Å; T123-K125 VanDerWaalsContact O-N 3.1Å |
| 126 | K | 96.1 | Very high | 96.1 | Very high | 70 Ų | 70 | 32.6 Ų | 32.6 | 30% | 0.304 | 19% | 0.186 | S | C | . | . | trans | -90.6 | 157.5 | -177.6 | -70.4 | 179.2 | -173.8 | 179 | 0 | 111 | S122 T123 G148 L223 V231 | S122-K126 WeakPolarHBondContact O-CG 3.49Å; T123-K126 PolarHBondContact O-N 2.95Å; K126-G148 WeakPolarHBondContact O-CA 3.37Å; K126-G148 PolarHBondContact O-N 3.35Å; K126-L223 HydrophobicContact CB-CD1 4.21Å; K126-L223 HydrophobicContact CD-CD1 4.25Å; K126-L223 HydrophobicContact CG-CD1 4.45Å; K126-V231 HydrophobicContact CD-CG1 4.24Å; K126-V231 HydrophobicContact CD-CG2 4.47Å | ||
| 127 | N | 96.7 | Very high | 95.8 | Very high | 22 Ų | 22 | 37 Ų | 37 | 12% | 0.118 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 115.5 | 171.2 | -59.7 | -12.1 | 0 | 0 | 0 | 107.8 | I146 N147 G148 Q149 L223 A224 | N127-I146 WeakPolarHBondContact CA-O 3.26Å; N127-N147 VanDerWaalsContact OD1-CG 3.29Å; N127-N147 PolarHBondContact OD1-OD1 3.49Å; N127-G148 PolarHBondContact OD1-N 3.02Å; N127-Q149 VanDerWaalsContact ND2-CD 3.35Å; N127-Q149 PolarHBondContact ND2-OE1 2.88Å; N127-Q149 PolarHBondContact OD1-N 3.22Å; N127-L223 WeakPolarHBondContact O-CD1 3.32Å; N127-A224 HydrophobicContact CB-CB 4.28Å; N127-A224 WeakPolarHBondContact O-CB 3.39Å; N127-A224 PolarHBondContact O-N 2.81Å |
| 128 | W | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 152.4 | -169.1 | 63.9 | -74.2 | 0 | 0 | 0 | 111.7 | F117 M119 T123 I130 K145 I146 K222 V231 F233 | F117-W128 HydrophobicContact CD2-CH2 4.29Å; F117-W128 HydrophobicContact CE2-CH2 4.35Å; F117-W128 HydrophobicContact CE2-CZ2 4.19Å; M119-W128 HydrophobicContact CB-CZ2 4.31Å; M119-W128 HydrophobicContact SD-CZ2 3.99Å; T123-W128 HydrophobicContact CG2-CZ2 4.09Å; W128-I130 HydrophobicContact CE3-CB 4.39Å; W128-I130 HydrophobicContact CH2-CB 4.14Å; W128-I130 HydrophobicContact CH2-CD1 4.08Å; W128-I130 HydrophobicContact CH2-CG1 4.06Å; W128-I130 HydrophobicContact CZ3-CB 3.76Å; W128-I130 HydrophobicContact CZ3-CD1 4.41Å; W128-I130 HydrophobicContact CZ3-CG1 3.88Å; W128-K145 CarbonylContact O-C 3.48Å; W128-K145 WeakPolarHBondContact O-CA 3.46Å; W128-I146 HydrophobicContact CH2-CD1 3.8Å; W128-I146 HydrophobicContact CZ2-CB 4.36Å; W128-I146 HydrophobicContact CZ2-CD1 3.52Å; W128-I146 HydrophobicContact CZ2-CG2 4.47Å; W128-I146 HydrophobicContact CZ3-CD1 4.49Å; W128-I146 PolarHBondContact N-O 3.49Å; W128-I146 PolarHBondContact O-N 3.31Å; W128-K222 CarbonylContact C-O 3.53Å; W128-K222 VanDerWaalsContact CA-O 3.32Å; W128-K222 WeakPolarHBondContact CA-O 2.99Å; W128-K222 WeakPolarHBondContact CB-O 3.36Å; W128-V231 HydrophobicContact CB-CB 4.26Å; W128-V231 HydrophobicContact CB-CG1 4.39Å; W128-V231 HydrophobicContact CB-CG2 3.72Å; W128-V231 HydrophobicContact CD2-CB 4.3Å; W128-V231 HydrophobicContact CD2-CG1 3.99Å; W128-V231 HydrophobicContact CE3-CB 4.3Å; W128-V231 HydrophobicContact CE3-CG1 4.35Å; W128-V231 HydrophobicContact CG-CB 4.3Å; W128-V231 HydrophobicContact CG-CG1 4Å; W128-V231 HydrophobicContact CG-CG2 4.22Å; W128-F233 HydrophobicContact CH2-CB 3.89Å; W128-F233 HydrophobicContact CH2-CD1 4.03Å; W128-F233 AromaticContact CH2-CD2 3.84Å; W128-F233 HydrophobicContact CH2-CD2 3.84Å; W128-F233 HydrophobicContact CH2-CE2 4.34Å; W128-F233 AromaticContact CH2-CG 3.65Å; W128-F233 HydrophobicContact CH2-CG 3.65Å; W128-F233 HydrophobicContact CZ2-CB 4.44Å; W128-F233 HydrophobicContact CZ3-CB 4.46Å; W128-F233 AromaticContact CZ3-CD1 3.76Å; W128-F233 HydrophobicContact CZ3-CD1 3.76Å; W128-F233 HydrophobicContact CZ3-CD2 4.19Å; W128-F233 AromaticContact CZ3-CE1 3.98Å; W128-F233 HydrophobicContact CZ3-CE1 3.98Å; W128-F233 HydrophobicContact CZ3-CE2 4.34Å; W128-F233 AromaticContact CZ3-CG 3.88Å; W128-F233 HydrophobicContact CZ3-CG 3.88Å; W128-F233 HydrophobicContact CZ3-CZ 4.25Å |
| 129 | N | 97.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 118.1 | 177.8 | -69.4 | -45 | 0 | 0 | 0 | 109.1 | W131 Q132 I144 K145 G221 K222 | N129-W131 VanDerWaalsContact C-N 3.3Å; N129-Q132 HydrophobicContact CB-CB 4.12Å; N129-Q132 HydrophobicContact CB-CG 4.32Å; N129-Q132 PolarHBondContact ND2-OE1 3.46Å; N129-I144 WeakPolarHBondContact CA-O 3.45Å; N129-K145 WeakPolarHBondContact OD1-CA 3.12Å; N129-K145 WeakPolarHBondContact OD1-CB 3.48Å; N129-K145 WeakPolarHBondContact OD1-CG 3.39Å; N129-G221 CarbonylContact O-C 3.59Å; N129-G221 WeakPolarHBondContact O-CA 3.41Å; N129-G221 PolarHBondContact O-N 2.58Å; N129-G221 VanDerWaalsContact O-N 3.15Å; N129-K222 PolarHBondContact N-O 3.04Å; N129-K222 PolarHBondContact O-N 3Å |
| 130 | I | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | -37 | 177.3 | -169.7 | 161.9 | 0 | 0 | 0 | 110.7 | F113 T115 F117 W128 I144 I146 L220 G221 F233 M238 | F113-I130 HydrophobicContact CE1-CG2 4.39Å; F113-I130 HydrophobicContact CZ-CG2 4.29Å; T115-I130 HydrophobicContact CG2-CD1 3.81Å; F117-I130 HydrophobicContact CB-CD1 3.95Å; F117-I130 HydrophobicContact CD1-CD1 3.62Å; F117-I130 HydrophobicContact CD2-CD1 3.91Å; F117-I130 HydrophobicContact CE1-CD1 4.07Å; F117-I130 HydrophobicContact CE2-CD1 4.33Å; F117-I130 HydrophobicContact CG-CD1 3.54Å; F117-I130 HydrophobicContact CZ-CD1 4.41Å; W128-I130 HydrophobicContact CE3-CB 4.39Å; W128-I130 HydrophobicContact CH2-CB 4.14Å; W128-I130 HydrophobicContact CH2-CD1 4.08Å; W128-I130 HydrophobicContact CH2-CG1 4.06Å; W128-I130 HydrophobicContact CZ3-CB 3.76Å; W128-I130 HydrophobicContact CZ3-CD1 4.41Å; W128-I130 HydrophobicContact CZ3-CG1 3.88Å; I130-I144 HydrophobicContact CG2-CB 4.04Å; I130-I144 HydrophobicContact CG2-CG2 3.87Å; I130-I144 PolarHBondContact N-O 3.42Å; I130-I146 HydrophobicContact CB-CD1 3.93Å; I130-I146 HydrophobicContact CD1-CD1 4.03Å; I130-I146 HydrophobicContact CG2-CD1 4.28Å; I130-L220 WeakPolarHBondContact O-CA 3.39Å; I130-G221 PolarHBondContact O-N 2.94Å; I130-F233 HydrophobicContact CD1-CE2 4.15Å; I130-F233 HydrophobicContact CG1-CE2 4.01Å; I130-F233 HydrophobicContact CG1-CZ 4.29Å; I130-M238 HydrophobicContact CD1-CE 4.49Å; I130-M238 HydrophobicContact CG1-CE 3.92Å |
| 131 | W | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 138.3 | 171.3 | 171.9 | 85.1 | 0 | 0 | 0 | 108.9 | L59 Y103 L107 F113 N129 I133 V142 G143 I144 L220 M238 I240 | L59-W131 HydrophobicContact CD2-CG 4.16Å; Y103-W131 HydrophobicContact CE2-CZ2 4.18Å; L107-W131 HydrophobicContact CD1-CH2 3.77Å; L107-W131 HydrophobicContact CD2-CH2 4.33Å; F113-W131 HydrophobicContact CD2-CD2 4.4Å; F113-W131 HydrophobicContact CD2-CE3 4.24Å; F113-W131 HydrophobicContact CE2-CB 3.68Å; F113-W131 HydrophobicContact CE2-CD2 4.02Å; F113-W131 HydrophobicContact CE2-CE3 4.18Å; F113-W131 AromaticContact CE2-CG 3.82Å; F113-W131 HydrophobicContact CE2-CG 3.82Å; F113-W131 HydrophobicContact CZ-CB 3.83Å; F113-W131 HydrophobicContact CZ-CG 4.46Å; N129-W131 VanDerWaalsContact C-N 3.3Å; W131-I133 HydrophobicContact CH2-CD1 4.13Å; W131-I133 HydrophobicContact CH2-CG1 4.17Å; W131-I133 HydrophobicContact CZ2-CD1 4.02Å; W131-I133 HydrophobicContact CZ2-CG1 3.86Å; W131-V142 HydrophobicContact CH2-CG1 4.41Å; W131-V142 HydrophobicContact CZ3-CG1 4.07Å; W131-G143 WeakPolarHBondContact O-CA 3.47Å; W131-I144 HydrophobicContact CE3-CD1 4.42Å; W131-I144 HydrophobicContact CE3-CG1 4.49Å; W131-I144 PolarHBondContact O-N 3.48Å; W131-L220 HydrophobicContact CB-CD2 4.21Å; W131-L220 HydrophobicContact CG-CD2 4.38Å; W131-M238 HydrophobicContact CB-SD 4.21Å; W131-I240 HydrophobicContact CH2-CD1 3.87Å; W131-I240 HydrophobicContact CZ2-CD1 3.53Å |
| 132 | Q | 97 | Very high | 95.5 | Very high | 5 Ų | 5 | 36.3 Ų | 36.3 | 2% | 0.023 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 157.5 | 172.3 | 70.7 | -176.9 | 36.5 | 0 | 0 | 111.6 | N129 V142 A218 V219 | N129-Q132 HydrophobicContact CB-CB 4.12Å; N129-Q132 HydrophobicContact CB-CG 4.32Å; N129-Q132 PolarHBondContact ND2-OE1 3.46Å; Q132-V142 CarbonylContact C-O 3.51Å; Q132-V142 VanDerWaalsContact CA-O 3.26Å; Q132-V142 WeakPolarHBondContact CA-O 3.38Å; Q132-V142 WeakPolarHBondContact CB-O 3.38Å; Q132-A218 CarbonylContact O-C 3.46Å; Q132-A218 WeakPolarHBondContact O-CA 3.32Å; Q132-V219 HydrophobicContact CG-CG2 3.31Å; Q132-V219 PolarHBondContact N-O 2.91Å; Q132-V219 VanDerWaalsContact N-O 3.1Å; Q132-V219 PolarHBondContact O-N 3.28Å |
| 133 | I | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 125.9 | 160.4 | -63 | 176.1 | 0 | 0 | 0 | 107.2 | T99 Y103 L107 W131 Q141 V142 I212 A218 | T99-I133 HydrophobicContact CG2-CD1 4.2Å; T99-I133 HydrophobicContact CG2-CG2 3.67Å; Y103-I133 HydrophobicContact CD2-CD1 3.71Å; Y103-I133 HydrophobicContact CE2-CD1 4.08Å; L107-I133 HydrophobicContact CD1-CD1 3.92Å; L107-I133 HydrophobicContact CD2-CD1 4.23Å; L107-I133 HydrophobicContact CG-CD1 3.99Å; W131-I133 HydrophobicContact CH2-CD1 4.13Å; W131-I133 HydrophobicContact CH2-CG1 4.17Å; W131-I133 HydrophobicContact CZ2-CD1 4.02Å; W131-I133 HydrophobicContact CZ2-CG1 3.86Å; I133-Q141 HydrophobicContact CB-CB 4.47Å; I133-Q141 HydrophobicContact CG2-CB 4.14Å; I133-Q141 HydrophobicContact CG2-CG 4.4Å; I133-Q141 PolarHBondContact O-N 3.17Å; I133-V142 PolarHBondContact N-O 3.06Å; I133-V142 PolarHBondContact O-N 2.92Å; I133-I212 HydrophobicContact CD1-CD1 3.85Å; I133-I212 HydrophobicContact CG2-CD1 4.44Å; I133-A218 HydrophobicContact CG1-CB 4.36Å |
| 134 | Q | 95.8 | Very high | 95.8 | Very high | 6 Ų | 6 | 32.5 Ų | 32.5 | 3% | 0.028 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 150.4 | 172.9 | 62.6 | -175.3 | 51.5 | 0 | 0 | 110.1 | K139 G216 F217 V219 | Q134-K139 CarbonylContact C-O 3.59Å; Q134-K139 VanDerWaalsContact CA-O 3.27Å; Q134-K139 WeakPolarHBondContact CA-O 2.97Å; Q134-G216 CarbonylContact O-C 3.5Å; Q134-G216 VanDerWaalsContact O-CA 3.23Å; Q134-G216 WeakPolarHBondContact O-CA 3.41Å; Q134-F217 HydrophobicContact CG-CB 4.44Å; Q134-F217 WeakPolarHBondContact CG-O 3.33Å; Q134-F217 PolarHBondContact N-O 2.89Å; Q134-F217 PolarHBondContact O-N 2.79Å; Q134-V219 HydrophobicContact CG-CG1 4.41Å |
| 135 | D | 94.8 | Very high | 95.8 | Very high | 15 Ų | 15 | 33.4 Ų | 33.4 | 8% | 0.08 | 18% | 0.176 | C | C | . | . | trans | -74.7 | -177.7 | 172.7 | 64 | 28.4 | 0 | 0 | 0 | 112.2 | S137 G138 K139 Q141 D213 G216 | D135-S137 PolarHBondContact O-N 3.28Å; D135-S137 VanDerWaalsContact OD1-CA 3.31Å; D135-S137 WeakPolarHBondContact OD1-CA 3.49Å; D135-S137 WeakPolarHBondContact OD1-CB 3.36Å; D135-S137 PolarHBondContact OD1-N 2.61Å; D135-S137 PolarHBondContact OD1-OG 3.19Å; D135-S137 PolarHBondContact OD2-OG 3.46Å; D135-G138 PolarHBondContact O-N 3.23Å; D135-G138 PolarHBondContact OD1-N 2.88Å; D135-K139 PolarHBondContact N-O 2.92Å; D135-K139 PolarHBondContact OD1-N 2.66Å; D135-K139 WeakPolarHBondContact OD2-CB 3.46Å; D135-Q141 HydrophobicContact CB-CG 4.29Å; D135-Q141 PolarHBondContact OD2-NE2 3.31Å; D135-D213 HydrophobicContact CB-CB 3.91Å; D135-D213 WeakPolarHBondContact CB-OD2 3.38Å; D135-G216 VanDerWaalsContact C-CA 3.46Å | ||
| 136 | S | 93.9 | Very high | 95.9 | Very high | 94 Ų | 94 | 25.4 Ų | 25.4 | 66% | 0.657 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -24.7 | 179.1 | 60.8 | 0 | 0 | 0 | 0 | 113.4 | ||
| 137 | S | 91.2 | Very high | 96 | Very high | 94 Ų | 94 | 23.3 Ų | 23.3 | 66% | 0.657 | 13% | 0.134 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -6.4 | 175.9 | 77 | 0 | 0 | 0 | 0 | 113.5 | D135 | D135-S137 PolarHBondContact O-N 3.28Å; D135-S137 VanDerWaalsContact OD1-CA 3.31Å; D135-S137 WeakPolarHBondContact OD1-CA 3.49Å; D135-S137 WeakPolarHBondContact OD1-CB 3.36Å; D135-S137 PolarHBondContact OD1-N 2.61Å; D135-S137 PolarHBondContact OD1-OG 3.19Å; D135-S137 PolarHBondContact OD2-OG 3.46Å |
| 138 | G | 89.8 | Confident | 95.9 | Very high | 15 Ų | 15 | 22.7 Ų | 22.7 | 16% | 0.155 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 84.6 | 10.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | D135 | D135-G138 PolarHBondContact O-N 3.23Å; D135-G138 PolarHBondContact OD1-N 2.88Å |
| 139 | K | 92.9 | Very high | 95.6 | Very high | 120 Ų | 120 | 29.7 Ų | 29.7 | 52% | 0.522 | 17% | 0.165 | S | C | . | . | trans | -82.9 | 134.2 | 176.7 | 179.8 | -176.1 | -175 | 177.5 | 0 | 110.3 | Q134 D135 Q141 | Q134-K139 CarbonylContact C-O 3.59Å; Q134-K139 VanDerWaalsContact CA-O 3.27Å; Q134-K139 WeakPolarHBondContact CA-O 2.97Å; D135-K139 PolarHBondContact N-O 2.92Å; D135-K139 PolarHBondContact OD1-N 2.66Å; D135-K139 WeakPolarHBondContact OD2-CB 3.46Å; K139-Q141 PolarHBondContact O-N 2.84Å; K139-Q141 PolarHBondContact O-NE2 2.93Å | ||
| 140 | E | 95.5 | Very high | 95.6 | Very high | 26 Ų | 26 | 33.6 Ų | 33.6 | 12% | 0.121 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 130.6 | -178.3 | -168.2 | 177.8 | 174.6 | 0 | 0 | 111.4 | G143 S156 L164 | E140-G143 WeakPolarHBondContact OE1-CA 3.43Å; E140-S156 WeakPolarHBondContact OE1-CB 3.45Å; E140-S156 PolarHBondContact OE1-OG 2.68Å; E140-L164 HydrophobicContact CB-CD2 4.31Å |
| 141 | Q | 96.6 | Very high | 95.5 | Very high | 10 Ų | 10 | 37.3 Ų | 37.3 | 5% | 0.047 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | -49.1 | 173.3 | -58 | -63.3 | -52.8 | 0 | 0 | 110.1 | I133 D135 K139 Y157 K158 I212 D213 | I133-Q141 HydrophobicContact CB-CB 4.47Å; I133-Q141 HydrophobicContact CG2-CB 4.14Å; I133-Q141 HydrophobicContact CG2-CG 4.4Å; I133-Q141 PolarHBondContact O-N 3.17Å; D135-Q141 HydrophobicContact CB-CG 4.29Å; D135-Q141 PolarHBondContact OD2-NE2 3.31Å; K139-Q141 PolarHBondContact O-N 2.84Å; K139-Q141 PolarHBondContact O-NE2 2.93Å; Q141-Y157 CarbonylContact O-C 3.59Å; Q141-Y157 WeakPolarHBondContact O-CA 3.45Å; Q141-K158 HydrophobicContact CB-CG 4.47Å; Q141-K158 PolarHBondContact O-N 3.05Å; Q141-K158 VanDerWaalsContact O-N 3.13Å; Q141-K158 VanDerWaalsContact OE1-CE 3.25Å; Q141-I212 HydrophobicContact CB-CB 4.11Å; Q141-I212 HydrophobicContact CB-CG2 4.31Å; Q141-D213 HydrophobicContact CG-CB 4.33Å; Q141-D213 VanDerWaalsContact OE1-N 3.14Å |
| 142 | V | 97.5 | Very high | 95.5 | Very high | 6 Ų | 6 | 37.6 Ų | 37.6 | 4% | 0.036 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 141.1 | 175.2 | -178.4 | 0 | 0 | 0 | 0 | 107.6 | L107 W131 Q132 I133 F155 S156 I212 | L107-V142 HydrophobicContact CD1-CB 4.17Å; L107-V142 HydrophobicContact CD1-CG1 3.87Å; L107-V142 HydrophobicContact CD1-CG2 4.11Å; W131-V142 HydrophobicContact CH2-CG1 4.41Å; W131-V142 HydrophobicContact CZ3-CG1 4.07Å; Q132-V142 CarbonylContact C-O 3.51Å; Q132-V142 VanDerWaalsContact CA-O 3.26Å; Q132-V142 WeakPolarHBondContact CA-O 3.38Å; Q132-V142 WeakPolarHBondContact CB-O 3.38Å; I133-V142 PolarHBondContact N-O 3.06Å; I133-V142 PolarHBondContact O-N 2.92Å; V142-F155 HydrophobicContact CG1-CE2 3.79Å; V142-F155 HydrophobicContact CG1-CZ 4.38Å; V142-S156 CarbonylContact C-O 3.6Å; V142-S156 VanDerWaalsContact CA-O 3.27Å; V142-S156 WeakPolarHBondContact CA-O 3.37Å; V142-I212 HydrophobicContact CG2-CD1 4.48Å; V142-I212 HydrophobicContact CG2-CG2 3.74Å |
| 143 | G | 96.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.6 | 159.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | W131 E140 S156 | W131-G143 WeakPolarHBondContact O-CA 3.47Å; E140-G143 WeakPolarHBondContact OE1-CA 3.43Å; G143-S156 PolarHBondContact N-O 3.5Å; G143-S156 PolarHBondContact O-N 3.49Å |
| 144 | I | 98.2 | Very high | 95.6 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 107.8 | 173.4 | -63 | 172.9 | 0 | 0 | 0 | 107.1 | F113 N129 I130 W131 V153 F155 I183 I185 | F113-I144 HydrophobicContact CB-CD1 3.63Å; F113-I144 HydrophobicContact CD1-CD1 3.04Å; F113-I144 HydrophobicContact CD1-CG1 4.48Å; F113-I144 HydrophobicContact CD2-CD1 3.77Å; F113-I144 HydrophobicContact CE1-CD1 3.45Å; F113-I144 VanDerWaalsContact CE1-CD1 3.45Å; F113-I144 HydrophobicContact CE2-CD1 4.15Å; F113-I144 HydrophobicContact CG-CD1 3.19Å; F113-I144 HydrophobicContact CZ-CD1 4Å; N129-I144 WeakPolarHBondContact CA-O 3.45Å; I130-I144 HydrophobicContact CG2-CB 4.04Å; I130-I144 HydrophobicContact CG2-CG2 3.87Å; I130-I144 PolarHBondContact N-O 3.42Å; W131-I144 HydrophobicContact CE3-CD1 4.42Å; W131-I144 HydrophobicContact CE3-CG1 4.49Å; W131-I144 PolarHBondContact O-N 3.48Å; I144-V153 HydrophobicContact CG2-CG1 4.24Å; I144-F155 HydrophobicContact CG1-CD2 4.34Å; I144-I183 HydrophobicContact CG2-CD1 4.3Å; I144-I185 HydrophobicContact CD1-CD1 4.02Å; I144-I185 HydrophobicContact CG1-CD1 4.06Å; I144-I185 HydrophobicContact CG2-CD1 3.98Å |
| 145 | K | 97.8 | Very high | 95.7 | Very high | 48 Ų | 48 | 37.3 Ų | 37.3 | 21% | 0.209 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 131.1 | -175 | -168.1 | 161.8 | 58.4 | -164.6 | 0 | 110.3 | W128 N129 V153 A154 A224 | W128-K145 CarbonylContact O-C 3.48Å; W128-K145 WeakPolarHBondContact O-CA 3.46Å; N129-K145 WeakPolarHBondContact OD1-CA 3.12Å; N129-K145 WeakPolarHBondContact OD1-CB 3.48Å; N129-K145 WeakPolarHBondContact OD1-CG 3.39Å; K145-V153 CarbonylContact O-C 3.58Å; K145-V153 WeakPolarHBondContact O-CA 3.38Å; K145-A154 HydrophobicContact CB-CB 4.26Å; K145-A154 PolarHBondContact N-O 2.84Å; K145-A154 PolarHBondContact O-N 2.9Å; K145-A224 HydrophobicContact CD-CB 4.01Å |
| 146 | I | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 115.4 | 169.4 | -62 | 168.6 | 0 | 0 | 0 | 106.4 | F117 M119 N127 W128 I130 F176 | F117-I146 HydrophobicContact CD2-CD1 4.47Å; F117-I146 HydrophobicContact CE1-CD1 4.15Å; F117-I146 HydrophobicContact CE2-CD1 3.58Å; F117-I146 HydrophobicContact CZ-CD1 3.39Å; F117-I146 HydrophobicContact CZ-CG1 4.48Å; M119-I146 HydrophobicContact CE-CG2 3.94Å; M119-I146 HydrophobicContact SD-CG2 3.96Å; N127-I146 WeakPolarHBondContact CA-O 3.26Å; W128-I146 HydrophobicContact CH2-CD1 3.8Å; W128-I146 HydrophobicContact CZ2-CB 4.36Å; W128-I146 HydrophobicContact CZ2-CD1 3.52Å; W128-I146 HydrophobicContact CZ2-CG2 4.47Å; W128-I146 HydrophobicContact CZ3-CD1 4.49Å; W128-I146 PolarHBondContact N-O 3.49Å; W128-I146 PolarHBondContact O-N 3.31Å; I130-I146 HydrophobicContact CB-CD1 3.93Å; I130-I146 HydrophobicContact CD1-CD1 4.03Å; I130-I146 HydrophobicContact CG2-CD1 4.28Å; I146-F176 HydrophobicContact CG2-CE1 3.6Å; I146-F176 HydrophobicContact CG2-CZ 3.72Å |
| 147 | N | 96.9 | Very high | 96 | Very high | 26 Ų | 26 | 32.6 Ų | 32.6 | 14% | 0.139 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 102.5 | -179.3 | -173.6 | -31.1 | 0 | 0 | 0 | 109.5 | N127 Q149 T150 Q151 S152 F176 | N127-N147 VanDerWaalsContact OD1-CG 3.29Å; N127-N147 PolarHBondContact OD1-OD1 3.49Å; N147-Q149 VanDerWaalsContact C-N 3.32Å; N147-Q149 WeakPolarHBondContact OD1-CB 3.26Å; N147-Q149 PolarHBondContact OD1-N 3.21Å; N147-T150 PolarHBondContact ND2-OG1 3.31Å; N147-T150 VanDerWaalsContact ND2-OG1 3.15Å; N147-T150 PolarHBondContact OD1-N 2.95Å; N147-T150 PolarHBondContact OD1-OG1 3.27Å; N147-Q151 VanDerWaalsContact O-CA 3.22Å; N147-Q151 WeakPolarHBondContact O-CA 3.45Å; N147-Q151 PolarHBondContact O-N 3.34Å; N147-S152 PolarHBondContact N-O 3.33Å; N147-S152 PolarHBondContact O-N 3.31Å; N147-F176 WeakPolarHBondContact O-CZ 3.39Å |
| 148 | G | 94.3 | Very high | 96.3 | Very high | 9 Ų | 9 | 28.8 Ų | 28.8 | 9% | 0.093 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -20.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L124 K126 N127 F176 | L124-G148 WeakPolarHBondContact O-CA 3.49Å; K126-G148 WeakPolarHBondContact O-CA 3.37Å; K126-G148 PolarHBondContact O-N 3.35Å; N127-G148 PolarHBondContact OD1-N 3.02Å; G148-F176 VanDerWaalsContact CA-CE1 3.44Å |
| 149 | Q | 92.2 | Very high | 96.6 | Very high | 146 Ų | 146 | 28.2 Ų | 28.2 | 68% | 0.682 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -42.7 | 178.7 | -65.5 | 175.2 | -13.5 | 0 | 0 | 111.6 | N127 N147 | N127-Q149 VanDerWaalsContact ND2-CD 3.35Å; N127-Q149 PolarHBondContact ND2-OE1 2.88Å; N127-Q149 PolarHBondContact OD1-N 3.22Å; N147-Q149 VanDerWaalsContact C-N 3.32Å; N147-Q149 WeakPolarHBondContact OD1-CB 3.26Å; N147-Q149 PolarHBondContact OD1-N 3.21Å |
| 150 | T | 95.4 | Very high | 96.7 | Very high | 83 Ų | 83 | 28.6 Ų | 28.6 | 51% | 0.509 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 1.1 | 178.9 | 56.9 | 0 | 0 | 0 | 0 | 113.2 | N147 S152 | N147-T150 PolarHBondContact ND2-OG1 3.31Å; N147-T150 VanDerWaalsContact ND2-OG1 3.15Å; N147-T150 PolarHBondContact OD1-N 2.95Å; N147-T150 PolarHBondContact OD1-OG1 3.27Å; T150-S152 VanDerWaalsContact C-N 3.35Å; T150-S152 PolarHBondContact O-N 3.15Å; T150-S152 PolarHBondContact OG1-OG 3.17Å |
| 151 | Q | 96.4 | Very high | 96.6 | Very high | 79 Ų | 79 | 33 Ų | 33 | 37% | 0.369 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.1 | 56.5 | -174.2 | -62 | -176.8 | -49.4 | 0 | 0 | 111.9 | N147 L172 F176 | N147-Q151 VanDerWaalsContact O-CA 3.22Å; N147-Q151 WeakPolarHBondContact O-CA 3.45Å; N147-Q151 PolarHBondContact O-N 3.34Å; Q151-L172 WeakPolarHBondContact O-CB 3.4Å; Q151-L172 PolarHBondContact O-N 2.82Å; Q151-F176 VanDerWaalsContact C-CE2 3.42Å; Q151-F176 HydrophobicContact CB-CD2 3.76Å; Q151-F176 HydrophobicContact CB-CE2 3.82Å; Q151-F176 HydrophobicContact CB-CG 4.47Å; Q151-F176 HydrophobicContact CG-CD2 3.97Å; Q151-F176 HydrophobicContact CG-CE2 4.38Å; Q151-F176 HydrophobicContact CG-CG 4.2Å |
| 152 | S | 97.6 | Very high | 96.4 | Very high | 6 Ų | 6 | 34.4 Ų | 34.4 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 158.8 | -175.5 | 65.8 | 0 | 0 | 0 | 0 | 112.2 | N147 T150 F169 | N147-S152 PolarHBondContact N-O 3.33Å; N147-S152 PolarHBondContact O-N 3.31Å; T150-S152 VanDerWaalsContact C-N 3.35Å; T150-S152 PolarHBondContact O-N 3.15Å; T150-S152 PolarHBondContact OG1-OG 3.17Å; S152-F169 VanDerWaalsContact CA-O 3.29Å; S152-F169 WeakPolarHBondContact CA-O 3.45Å; S152-F169 WeakPolarHBondContact CB-O 3.29Å |
| 153 | V | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 136.1 | 170.5 | 174.1 | 0 | 0 | 0 | 0 | 107.4 | I144 K145 F169 L172 L175 I185 L194 | I144-V153 HydrophobicContact CG2-CG1 4.24Å; K145-V153 CarbonylContact O-C 3.58Å; K145-V153 WeakPolarHBondContact O-CA 3.38Å; V153-F169 PolarHBondContact N-O 2.76Å; V153-F169 WeakPolarHBondContact O-CA 3.43Å; V153-F169 WeakPolarHBondContact O-CB 3.27Å; V153-F169 WeakPolarHBondContact O-CD2 3.38Å; V153-F169 PolarHBondContact O-N 2.87Å; V153-L172 HydrophobicContact CB-CD1 3.89Å; V153-L172 HydrophobicContact CG2-CD1 3.68Å; V153-L175 HydrophobicContact CG2-CD2 3.43Å; V153-L175 VanDerWaalsContact CG2-CD2 3.43Å; V153-I185 HydrophobicContact CG1-CD1 4.24Å; V153-L194 HydrophobicContact CB-CD2 4.18Å; V153-L194 HydrophobicContact CG1-CD1 4.27Å |
| 154 | A | 98 | Very high | 96.3 | Very high | 4 Ų | 4 | 39 Ų | 39 | 3% | 0.033 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 135.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | K145 T166 A167 A168 | K145-A154 HydrophobicContact CB-CB 4.26Å; K145-A154 PolarHBondContact N-O 2.84Å; K145-A154 PolarHBondContact O-N 2.9Å; A154-T166 HydrophobicContact CB-CG2 3.7Å; A154-A167 CarbonylContact C-O 3.57Å; A154-A167 VanDerWaalsContact CA-O 3.28Å; A154-A167 WeakPolarHBondContact CA-O 3.35Å; A154-A168 HydrophobicContact CB-CB 4.18Å |
| 155 | F | 98.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 113.7 | 172 | 172.4 | -121.4 | 0 | 0 | 0 | 109.3 | Y111 V142 I144 Y157 T166 A167 F169 I185 V187 A192 I206 | Y111-F155 WeakPolarHBondContact OH-CE2 3.2Å; V142-F155 HydrophobicContact CG1-CE2 3.79Å; V142-F155 HydrophobicContact CG1-CZ 4.38Å; I144-F155 HydrophobicContact CG1-CD2 4.34Å; F155-Y157 AromaticContact CD1-CD1 3.81Å; F155-Y157 HydrophobicContact CD1-CD1 3.81Å; F155-Y157 HydrophobicContact CD1-CE1 4.38Å; F155-Y157 AromaticContact CE1-CD1 3.56Å; F155-Y157 HydrophobicContact CE1-CD1 3.56Å; F155-Y157 HydrophobicContact CE1-CE1 4.31Å; F155-Y157 HydrophobicContact CE1-CG 4.09Å; F155-Y157 HydrophobicContact CZ-CD1 4.26Å; F155-Y157 HydrophobicContact CZ-CG 4.43Å; F155-T166 CarbonylContact O-C 3.5Å; F155-T166 WeakPolarHBondContact O-CA 3.34Å; F155-A167 PolarHBondContact N-O 3.17Å; F155-A167 PolarHBondContact O-N 2.77Å; F155-F169 HydrophobicContact CB-CE2 4.46Å; F155-I185 HydrophobicContact CB-CD1 4.3Å; F155-V187 HydrophobicContact CE1-CG1 4.02Å; F155-V187 HydrophobicContact CE1-CG2 4.16Å; F155-V187 HydrophobicContact CE2-CG2 4.3Å; F155-V187 HydrophobicContact CZ-CG1 4.05Å; F155-V187 HydrophobicContact CZ-CG2 3.94Å; F155-A192 HydrophobicContact CD1-CB 4.07Å; F155-I206 HydrophobicContact CE1-CD1 4.34Å |
| 156 | S | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 141.1 | 175.9 | -42.6 | 0 | 0 | 0 | 0 | 110.5 | E140 V142 G143 Q165 | E140-S156 WeakPolarHBondContact OE1-CB 3.45Å; E140-S156 PolarHBondContact OE1-OG 2.68Å; V142-S156 CarbonylContact C-O 3.6Å; V142-S156 VanDerWaalsContact CA-O 3.27Å; V142-S156 WeakPolarHBondContact CA-O 3.37Å; G143-S156 PolarHBondContact N-O 3.5Å; G143-S156 PolarHBondContact O-N 3.49Å; S156-Q165 CarbonylContact C-O 3.5Å; S156-Q165 VanDerWaalsContact CA-O 3.29Å; S156-Q165 WeakPolarHBondContact CA-O 3.44Å |
| 157 | Y | 97.6 | Very high | 96.2 | Very high | 9 Ų | 9 | 42.2 Ų | 42.2 | 4% | 0.035 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 157.5 | 177.2 | 63.3 | -85 | 0 | 0 | 0 | 112 | Q141 F155 Q165 I206 K207 R209 | Q141-Y157 CarbonylContact O-C 3.59Å; Q141-Y157 WeakPolarHBondContact O-CA 3.45Å; F155-Y157 AromaticContact CD1-CD1 3.81Å; F155-Y157 HydrophobicContact CD1-CD1 3.81Å; F155-Y157 HydrophobicContact CD1-CE1 4.38Å; F155-Y157 AromaticContact CE1-CD1 3.56Å; F155-Y157 HydrophobicContact CE1-CD1 3.56Å; F155-Y157 HydrophobicContact CE1-CE1 4.31Å; F155-Y157 HydrophobicContact CE1-CG 4.09Å; F155-Y157 HydrophobicContact CZ-CD1 4.26Å; F155-Y157 HydrophobicContact CZ-CG 4.43Å; Y157-Q165 HydrophobicContact CD1-CB 4.33Å; Y157-Q165 HydrophobicContact CD2-CB 4.15Å; Y157-Q165 HydrophobicContact CE1-CB 3.82Å; Y157-Q165 HydrophobicContact CE2-CB 3.65Å; Y157-Q165 HydrophobicContact CE2-CG 4.08Å; Y157-Q165 HydrophobicContact CG-CB 4.47Å; Y157-Q165 VanDerWaalsContact CZ-CB 3.44Å; Y157-Q165 PolarHBondContact N-O 2.94Å; Y157-Q165 PolarHBondContact O-N 3.44Å; Y157-I206 HydrophobicContact CE1-CB 3.93Å; Y157-I206 HydrophobicContact CE1-CG2 3.78Å; Y157-I206 WeakPolarHBondContact OH-CB 3.47Å; Y157-K207 WeakPolarHBondContact CE2-O 3.34Å; Y157-K207 PolarHBondContact OH-N 2.97Å; Y157-R209 HydrophobicContact CD2-CB 4.46Å; Y157-R209 HydrophobicContact CD2-CG 3.35Å; Y157-R209 HydrophobicContact CE2-CG 3.96Å; Y157-R209 HydrophobicContact CG-CG 3.98Å |
| 158 | K | 97.2 | Very high | 96.2 | Very high | 14 Ų | 14 | 43.3 Ų | 43.3 | 6% | 0.061 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 126.4 | 170.7 | -72.2 | -58.7 | -165.6 | 167.1 | 0 | 111.7 | Q141 G162 S163 L164 R209 G210 I212 | Q141-K158 HydrophobicContact CB-CG 4.47Å; Q141-K158 PolarHBondContact O-N 3.05Å; Q141-K158 VanDerWaalsContact O-N 3.13Å; Q141-K158 VanDerWaalsContact OE1-CE 3.25Å; K158-G162 WeakPolarHBondContact CD-O 3.47Å; K158-G162 PolarHBondContact NZ-O 3.39Å; K158-S163 WeakPolarHBondContact CA-O 3.4Å; K158-L164 HydrophobicContact CD-CD1 4.47Å; K158-R209 CarbonylContact O-C 3.47Å; K158-R209 WeakPolarHBondContact O-CA 3.4Å; K158-G210 PolarHBondContact O-N 2.9Å; K158-I212 HydrophobicContact CB-CG2 4.19Å; K158-I212 HydrophobicContact CG-CG2 4.24Å |
| 159 | G | 95.4 | Very high | 96.3 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -76.5 | 171.3 | 168 | 0 | 0 | 0 | 0 | 0 | 112.2 | D161 G162 S163 G210 | G159-D161 PolarHBondContact O-N 2.02Å; G159-D161 VanDerWaalsContact O-N 3.17Å; G159-G162 PolarHBondContact O-N 3.35Å; G159-S163 PolarHBondContact N-O 2.97Å; G159-G210 WeakPolarHBondContact O-CA 3.3Å |
| 160 | L | 94.8 | Very high | 96.5 | Very high | 128 Ų | 128 | 39.3 Ų | 39.3 | 67% | 0.67 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -26.9 | 175.5 | -68.1 | 175.7 | 0 | 0 | 0 | 113.7 | G162 P208 R209 | L160-G162 VanDerWaalsContact C-N 3.26Å; L160-G162 PolarHBondContact O-N 3.35Å; L160-P208 HydrophobicContact CD1-CB 3.74Å; L160-P208 HydrophobicContact CD1-CG 4.38Å; L160-P208 HydrophobicContact CD2-CB 4.5Å; L160-P208 HydrophobicContact CG-CB 3.97Å; L160-P208 PolarHBondContact N-O 3.2Å; L160-R209 WeakPolarHBondContact CD2-O 3.34Å |
| 161 | D | 94.6 | Very high | 96.4 | Very high | 120 Ų | 120 | 42 Ų | 42 | 64% | 0.642 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | 0 | 177.1 | 65.3 | -16.2 | 0 | 0 | 0 | 113.4 | G159 S163 | G159-D161 PolarHBondContact O-N 2.02Å; G159-D161 VanDerWaalsContact O-N 3.17Å; D161-S163 PolarHBondContact O-N 3.29Å; D161-S163 WeakPolarHBondContact OD1-CB 3.33Å; D161-S163 PolarHBondContact OD1-N 3.29Å; D161-S163 PolarHBondContact OD1-OG 2.8Å; D161-S163 WeakPolarHBondContact OD2-CB 3.35Å; D161-S163 PolarHBondContact OD2-OG 2.76Å |
| 162 | G | 92.3 | Very high | 96.4 | Very high | 39 Ų | 39 | 38.4 Ų | 38.4 | 40% | 0.402 | 23% | 0.232 | S | C | . | . | S | Bend | trans | 74.4 | 2.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | K158 G159 L160 | K158-G162 WeakPolarHBondContact CD-O 3.47Å; K158-G162 PolarHBondContact NZ-O 3.39Å; G159-G162 PolarHBondContact O-N 3.35Å; L160-G162 VanDerWaalsContact C-N 3.26Å; L160-G162 PolarHBondContact O-N 3.35Å |
| 163 | S | 95.6 | Very high | 96.2 | Very high | 37 Ų | 37 | 41.2 Ų | 41.2 | 26% | 0.259 | 25% | 0.249 | S | C | . | . | trans | -75.8 | 150.5 | 173.4 | 74.7 | 0 | 0 | 0 | 0 | 110.6 | K158 G159 D161 Q165 | K158-S163 WeakPolarHBondContact CA-O 3.4Å; G159-S163 PolarHBondContact N-O 2.97Å; D161-S163 PolarHBondContact O-N 3.29Å; D161-S163 WeakPolarHBondContact OD1-CB 3.33Å; D161-S163 PolarHBondContact OD1-N 3.29Å; D161-S163 PolarHBondContact OD1-OG 2.8Å; D161-S163 WeakPolarHBondContact OD2-CB 3.35Å; D161-S163 PolarHBondContact OD2-OG 2.76Å; S163-Q165 PolarHBondContact O-N 3.09Å; S163-Q165 PolarHBondContact OG-NE2 3.41Å | ||
| 164 | L | 95.9 | Very high | 95.9 | Very high | 64 Ų | 64 | 44.3 Ų | 44.3 | 34% | 0.335 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 113.9 | 174.3 | -169.7 | 70.5 | 0 | 0 | 0 | 108.2 | E140 K158 | E140-L164 HydrophobicContact CB-CD2 4.31Å; K158-L164 HydrophobicContact CD-CD1 4.47Å |
| 165 | Q | 97.3 | Very high | 95.8 | Very high | 41 Ų | 41 | 44.1 Ų | 44.1 | 19% | 0.192 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 156.6 | 173.2 | -59.9 | -64.1 | -66.6 | 0 | 0 | 109.4 | S156 Y157 S163 | S156-Q165 CarbonylContact C-O 3.5Å; S156-Q165 VanDerWaalsContact CA-O 3.29Å; S156-Q165 WeakPolarHBondContact CA-O 3.44Å; Y157-Q165 HydrophobicContact CD1-CB 4.33Å; Y157-Q165 HydrophobicContact CD2-CB 4.15Å; Y157-Q165 HydrophobicContact CE1-CB 3.82Å; Y157-Q165 HydrophobicContact CE2-CB 3.65Å; Y157-Q165 HydrophobicContact CE2-CG 4.08Å; Y157-Q165 HydrophobicContact CG-CB 4.47Å; Y157-Q165 VanDerWaalsContact CZ-CB 3.44Å; Y157-Q165 PolarHBondContact N-O 2.94Å; Y157-Q165 PolarHBondContact O-N 3.44Å; S163-Q165 PolarHBondContact O-N 3.09Å; S163-Q165 PolarHBondContact OG-NE2 3.41Å |
| 166 | T | 96.6 | Very high | 95.7 | Very high | 70 Ų | 70 | 45 Ų | 45 | 43% | 0.429 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 129.8 | -178.9 | -54.9 | 0 | 0 | 0 | 0 | 110.8 | A154 F155 | A154-T166 HydrophobicContact CB-CG2 3.7Å; F155-T166 CarbonylContact O-C 3.5Å; F155-T166 WeakPolarHBondContact O-CA 3.34Å |
| 167 | A | 97.2 | Very high | 95.6 | Very high | 7 Ų | 7 | 47.7 Ų | 47.7 | 6% | 0.058 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 113 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | A154 F155 L204 I206 | A154-A167 CarbonylContact C-O 3.57Å; A154-A167 VanDerWaalsContact CA-O 3.28Å; A154-A167 WeakPolarHBondContact CA-O 3.35Å; F155-A167 PolarHBondContact N-O 3.17Å; F155-A167 PolarHBondContact O-N 2.77Å; A167-L204 HydrophobicContact CB-CB 4.25Å; A167-L204 HydrophobicContact CB-CD1 4.15Å; A167-I206 HydrophobicContact CB-CG2 3.95Å |
| 168 | A | 97.2 | Very high | 95.5 | Very high | 50 Ų | 50 | 49.2 Ų | 49.2 | 41% | 0.413 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 112.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A154 L204 | A154-A168 HydrophobicContact CB-CB 4.18Å; A168-L204 WeakPolarHBondContact O-CD1 3.39Å |
| 169 | F | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 106.2 | 176.1 | -52.5 | -82.1 | 0 | 0 | 0 | 109.4 | S152 V153 F155 L172 A192 L194 E202 L204 | S152-F169 VanDerWaalsContact CA-O 3.29Å; S152-F169 WeakPolarHBondContact CA-O 3.45Å; S152-F169 WeakPolarHBondContact CB-O 3.29Å; V153-F169 PolarHBondContact N-O 2.76Å; V153-F169 WeakPolarHBondContact O-CA 3.43Å; V153-F169 WeakPolarHBondContact O-CB 3.27Å; V153-F169 WeakPolarHBondContact O-CD2 3.38Å; V153-F169 PolarHBondContact O-N 2.87Å; F155-F169 HydrophobicContact CB-CE2 4.46Å; F169-L172 HydrophobicContact CB-CD1 4.36Å; F169-L172 WeakPolarHBondContact O-CD1 3.45Å; F169-A192 WeakPolarHBondContact CE1-O 3.48Å; F169-A192 HydrophobicContact CZ-CB 4.1Å; F169-A192 WeakPolarHBondContact CZ-O 3.39Å; F169-L194 HydrophobicContact CB-CB 4.44Å; F169-L194 HydrophobicContact CB-CD2 3.44Å; F169-L194 VanDerWaalsContact CB-CD2 3.44Å; F169-L194 HydrophobicContact CD1-CB 3.66Å; F169-L194 HydrophobicContact CD1-CD2 4.26Å; F169-L194 HydrophobicContact CD2-CB 3.92Å; F169-L194 HydrophobicContact CD2-CD2 3.99Å; F169-L194 HydrophobicContact CD2-CG 4.43Å; F169-L194 HydrophobicContact CE1-CB 3.73Å; F169-L194 HydrophobicContact CE2-CB 4.02Å; F169-L194 HydrophobicContact CG-CB 3.74Å; F169-L194 HydrophobicContact CG-CD2 3.64Å; F169-L194 HydrophobicContact CG-CG 4.29Å; F169-L194 HydrophobicContact CZ-CB 3.92Å; F169-E202 HydrophobicContact CD1-CB 4.02Å; F169-E202 HydrophobicContact CD1-CG 4.28Å; F169-L204 HydrophobicContact CD1-CD1 3.6Å; F169-L204 HydrophobicContact CD1-CG 3.88Å; F169-L204 HydrophobicContact CE1-CB 4.05Å; F169-L204 HydrophobicContact CE1-CD1 3.63Å; F169-L204 HydrophobicContact CE1-CG 3.61Å; F169-L204 HydrophobicContact CG-CD1 4.12Å; F169-L204 HydrophobicContact CZ-CB 4.42Å; F169-L204 HydrophobicContact CZ-CD1 4.14Å; F169-L204 HydrophobicContact CZ-CG 4.36Å |
| 170 | S | 95.9 | Very high | 95.5 | Very high | 70 Ų | 70 | 53.6 Ų | 53.6 | 49% | 0.49 | 32% | 0.319 | S | S | . | . | trans | -95.2 | 175.4 | -173.3 | -59 | 0 | 0 | 0 | 0 | 112 | ||||
| 171 | N | 92.9 | Very high | 95.7 | Very high | 139 Ų | 139 | 47.6 Ų | 47.6 | 74% | 0.743 | 29% | 0.288 | S | S | * | . | trans | 61.3 | 50.8 | 175.2 | -165 | 34.5 | 0 | 0 | 0 | 113.8 | P173 | N171-P173 VanDerWaalsContact O-CD 3.24Å; N171-P173 WeakPolarHBondContact O-CD 3.28Å | ||
| 172 | L | 95.6 | Very high | 95.8 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | trans | -113.2 | 48.5 | 178.7 | -60.6 | 173 | 0 | 0 | 0 | 112.8 | Q151 V153 F169 S174 L175 F176 L194 V196 I201 | Q151-L172 WeakPolarHBondContact O-CB 3.4Å; Q151-L172 PolarHBondContact O-N 2.82Å; V153-L172 HydrophobicContact CB-CD1 3.89Å; V153-L172 HydrophobicContact CG2-CD1 3.68Å; F169-L172 HydrophobicContact CB-CD1 4.36Å; F169-L172 WeakPolarHBondContact O-CD1 3.45Å; L172-S174 PolarHBondContact O-N 3.46Å; L172-S174 VanDerWaalsContact O-N 3.16Å; L172-L175 HydrophobicContact CB-CB 4.32Å; L172-L175 WeakPolarHBondContact O-CB 3.34Å; L172-L175 PolarHBondContact O-N 3.16Å; L172-L175 VanDerWaalsContact O-N 3.1Å; L172-F176 HydrophobicContact CB-CE2 4.49Å; L172-F176 WeakPolarHBondContact O-CD2 3.2Å; L172-L194 HydrophobicContact CD1-CD2 3.65Å; L172-L194 HydrophobicContact CD2-CD2 4.39Å; L172-V196 HydrophobicContact CD2-CG2 4.35Å; L172-I201 HydrophobicContact CD2-CG1 4.38Å; L172-I201 HydrophobicContact CD2-CG2 3.87Å | ||
| 173 | P | 94.2 | Very high | 96.1 | Very high | 64 Ų | 64 | 40 Ų | 40 | 42% | 0.416 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -61.2 | -29.3 | -176.6 | 27.4 | -35.2 | 0 | 0 | 0 | 112.7 | N171 L175 F176 | N171-P173 VanDerWaalsContact O-CD 3.24Å; N171-P173 WeakPolarHBondContact O-CD 3.28Å; P173-L175 PolarHBondContact O-N 3.17Å; P173-F176 PolarHBondContact O-N 3.49Å; P173-F176 VanDerWaalsContact O-N 3.12Å |
| 174 | S | 93 | Very high | 96.2 | Very high | 65 Ų | 65 | 38.3 Ų | 38.3 | 46% | 0.455 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -61.3 | -27.8 | 177.9 | 54.8 | 0 | 0 | 0 | 0 | 113.2 | L172 F176 D177 H181 | L172-S174 PolarHBondContact O-N 3.46Å; L172-S174 VanDerWaalsContact O-N 3.16Å; S174-F176 VanDerWaalsContact C-N 3.26Å; S174-F176 PolarHBondContact O-N 2.92Å; S174-D177 VanDerWaalsContact O-CG 3.32Å; S174-H181 PolarHBondContact O-CE1 3.17Å; S174-H181 PolarHBondContact O-NE2 2.97Å |
| 175 | L | 95.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -72.7 | -18.2 | 178.3 | -176 | 61.4 | 0 | 0 | 0 | 113 | F117 M119 V153 L172 P173 H181 I183 V196 | F117-L175 HydrophobicContact CE1-CD1 4.41Å; F117-L175 HydrophobicContact CZ-CD1 4.09Å; M119-L175 HydrophobicContact CE-CG 4.15Å; M119-L175 WeakPolarHBondContact CE-O 3.39Å; V153-L175 HydrophobicContact CG2-CD2 3.43Å; V153-L175 VanDerWaalsContact CG2-CD2 3.43Å; L172-L175 HydrophobicContact CB-CB 4.32Å; L172-L175 WeakPolarHBondContact O-CB 3.34Å; L172-L175 PolarHBondContact O-N 3.16Å; L172-L175 VanDerWaalsContact O-N 3.1Å; P173-L175 PolarHBondContact O-N 3.17Å; L175-H181 HydrophobicContact CD1-CB 3.5Å; L175-H181 PolarHBondContact O-CD2 3.09Å; L175-I183 HydrophobicContact CD1-CG2 3.71Å; L175-I183 HydrophobicContact CD2-CG2 4.1Å; L175-V196 HydrophobicContact CD1-CG1 4.35Å |
| 176 | F | 96.6 | Very high | 96.4 | Very high | 18 Ų | 18 | 33.4 Ų | 33.4 | 8% | 0.079 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -108.3 | 40.2 | -171.6 | -61.7 | -95.6 | 0 | 0 | 0 | 112.4 | M119 L124 I146 N147 G148 Q151 L172 P173 S174 | M119-F176 HydrophobicContact CE-CB 4.48Å; M119-F176 HydrophobicContact CE-CD1 3.32Å; M119-F176 HydrophobicContact CE-CD2 4.48Å; M119-F176 HydrophobicContact CE-CE1 3.49Å; M119-F176 VanDerWaalsContact CE-CE1 3.49Å; M119-F176 HydrophobicContact CE-CG 3.86Å; M119-F176 HydrophobicContact CE-CZ 4.16Å; M119-F176 HydrophobicContact SD-CD1 4.23Å; M119-F176 HydrophobicContact SD-CE1 4.29Å; L124-F176 HydrophobicContact CD2-CB 4.19Å; L124-F176 HydrophobicContact CD2-CD1 4.48Å; L124-F176 WeakPolarHBondContact O-CD1 3.49Å; I146-F176 HydrophobicContact CG2-CE1 3.6Å; I146-F176 HydrophobicContact CG2-CZ 3.72Å; N147-F176 WeakPolarHBondContact O-CZ 3.39Å; G148-F176 VanDerWaalsContact CA-CE1 3.44Å; Q151-F176 VanDerWaalsContact C-CE2 3.42Å; Q151-F176 HydrophobicContact CB-CD2 3.76Å; Q151-F176 HydrophobicContact CB-CE2 3.82Å; Q151-F176 HydrophobicContact CB-CG 4.47Å; Q151-F176 HydrophobicContact CG-CD2 3.97Å; Q151-F176 HydrophobicContact CG-CE2 4.38Å; Q151-F176 HydrophobicContact CG-CG 4.2Å; L172-F176 HydrophobicContact CB-CE2 4.49Å; L172-F176 WeakPolarHBondContact O-CD2 3.2Å; P173-F176 PolarHBondContact O-N 3.49Å; P173-F176 VanDerWaalsContact O-N 3.12Å; S174-F176 VanDerWaalsContact C-N 3.26Å; S174-F176 PolarHBondContact O-N 2.92Å |
| 177 | D | 94.6 | Very high | 96.4 | Very high | 57 Ų | 57 | 30.1 Ų | 30.1 | 31% | 0.305 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -108 | 10.3 | -172.6 | 72.1 | -2.1 | 0 | 0 | 0 | 114.8 | S174 Q179 H181 R258 | S174-D177 VanDerWaalsContact O-CG 3.32Å; D177-Q179 PolarHBondContact O-N 3.04Å; D177-Q179 WeakPolarHBondContact OD1-CA 3.27Å; D177-Q179 WeakPolarHBondContact OD1-CB 3.09Å; D177-Q179 WeakPolarHBondContact OD1-CG 3.29Å; D177-Q179 PolarHBondContact OD1-N 3.47Å; D177-H181 IonicContact OD1-CD2 3.17Å; D177-H181 IonicContact OD1-CE1 2.66Å; D177-H181 IonicContact OD1-NE2 3.74Å; D177-H181 PolarHBondContact OD1-NE2 3.12Å; D177-H181 IonicContact OD2-NE2 3.18Å; D177-R258 IonicContact OD1-NH2 3.83Å; D177-R258 IonicContact OD2-CZ 2.76Å; D177-R258 IonicContact OD2-NH1 3.74Å; D177-R258 PolarHBondContact OD2-NH1 3.1Å; D177-R258 IonicContact OD2-NH2 2.68Å; D177-R258 PolarHBondContact OD2-NH2 3.47Å |
| 178 | S | 96 | Very high | 96.4 | Very high | 42 Ų | 42 | 32.5 Ų | 32.5 | 29% | 0.294 | 19% | 0.192 | S | C | . | . | S | Bend | trans | 68.4 | 5 | -173.2 | -51.9 | 0 | 0 | 0 | 0 | 116.7 | R118 M119 L124 | R118-S178 WeakPolarHBondContact CD-O 3.27Å; R118-S178 WeakPolarHBondContact CG-O 3.45Å; M119-S178 WeakPolarHBondContact O-CA 3.41Å; L124-S178 WeakPolarHBondContact CD1-OG 3.42Å |
| 179 | Q | 95.8 | Very high | 96.2 | Very high | 98 Ų | 98 | 36.9 Ų | 36.9 | 46% | 0.458 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -91.1 | 173.4 | 178.4 | -57.1 | -54.6 | -53.9 | 0 | 0 | 112.2 | D177 H181 | D177-Q179 PolarHBondContact O-N 3.04Å; D177-Q179 WeakPolarHBondContact OD1-CA 3.27Å; D177-Q179 WeakPolarHBondContact OD1-CB 3.09Å; D177-Q179 WeakPolarHBondContact OD1-CG 3.29Å; D177-Q179 PolarHBondContact OD1-N 3.47Å; Q179-H181 PolarHBondContact O-CD2 3.09Å |
| 180 | W | 97.2 | Very high | 96.1 | Very high | 10 Ų | 10 | 40.6 Ų | 40.6 | 4% | 0.038 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 133.7 | 170.5 | -75.3 | 98.6 | 0 | 0 | 0 | 110.3 | G79 A86 T116 R118 E234 Q236 L255 R258 | G79-W180 VanDerWaalsContact C-CE2 3.47Å; G79-W180 PolarHBondContact O-NE1 3.41Å; A86-W180 HydrophobicContact CB-CH2 3.28Å; A86-W180 HydrophobicContact CB-CZ2 3.78Å; A86-W180 HydrophobicContact CB-CZ3 4.23Å; T116-W180 HydrophobicContact CG2-CE3 4.06Å; R118-W180 HydrophobicContact CB-CD2 3.76Å; R118-W180 HydrophobicContact CB-CE3 3.82Å; R118-W180 HydrophobicContact CB-CG 4.28Å; R118-W180 HydrophobicContact CB-CH2 4.07Å; R118-W180 HydrophobicContact CB-CZ2 4.08Å; R118-W180 HydrophobicContact CB-CZ3 3.98Å; W180-E234 HydrophobicContact CH2-CB 3.84Å; W180-E234 HydrophobicContact CZ2-CB 4.33Å; W180-E234 WeakPolarHBondContact CZ2-OE2 3.4Å; W180-Q236 HydrophobicContact CE3-CB 4.36Å; W180-Q236 HydrophobicContact CH2-CB 4.13Å; W180-Q236 HydrophobicContact CZ3-CB 3.63Å; W180-L255 HydrophobicContact CB-CD2 4.05Å; W180-R258 PolarHBondContact O-NH2 3.34Å |
| 181 | H | 97.4 | Very high | 96.2 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 1% | 0.014 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 150.2 | 176.5 | -72.6 | -80.3 | 0 | 0 | 0 | 111.4 | T116 F117 S174 L175 D177 Q179 D197 R258 | T116-H181 CarbonylContact C-O 3.6Å; T116-H181 VanDerWaalsContact CA-O 3.31Å; T116-H181 WeakPolarHBondContact CA-O 3.21Å; F117-H181 PolarHBondContact N-O 3.07Å; F117-H181 PolarHBondContact O-N 2.96Å; S174-H181 PolarHBondContact O-CE1 3.17Å; S174-H181 PolarHBondContact O-NE2 2.97Å; L175-H181 HydrophobicContact CD1-CB 3.5Å; L175-H181 PolarHBondContact O-CD2 3.09Å; D177-H181 IonicContact OD1-CD2 3.17Å; D177-H181 IonicContact OD1-CE1 2.66Å; D177-H181 IonicContact OD1-NE2 3.74Å; D177-H181 PolarHBondContact OD1-NE2 3.12Å; D177-H181 IonicContact OD2-NE2 3.18Å; Q179-H181 PolarHBondContact O-CD2 3.09Å; H181-D197 VanDerWaalsContact CA-OD1 3.24Å; H181-D197 WeakPolarHBondContact CA-OD1 3.46Å; H181-D197 IonicContact CE1-OD2 2.89Å; H181-D197 PolarHBondContact CE1-OD2 3.34Å; H181-D197 IonicContact CG-OD1 2.66Å; H181-D197 IonicContact CG-OD2 3.72Å; H181-D197 IonicContact ND1-OD1 3.42Å; H181-D197 PolarHBondContact ND1-OD1 3.35Å; H181-D197 IonicContact ND1-OD2 3.69Å; H181-D197 PolarHBondContact ND1-OD2 2.73Å; H181-R258 PolarHBondContact CE1-NH2 2.94Å; H181-R258 PolarHBondContact ND1-NH2 3.03Å; H181-R258 PolarHBondContact NE2-NH2 3.39Å |
| 182 | K | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 117.4 | 169 | -174.8 | -179.3 | -62.5 | -178.5 | 0 | 108.8 | T115 T116 M184 V196 D197 W237 E250 T251 E254 L255 | T115-K182 CarbonylContact O-C 3.39Å; T115-K182 WeakPolarHBondContact O-CA 3.49Å; T116-K182 VanDerWaalsContact OG1-CE 3.32Å; T116-K182 WeakPolarHBondContact OG1-CE 3.43Å; K182-M184 HydrophobicContact CD-CE 4.17Å; K182-M184 HydrophobicContact CD-CG 4.38Å; K182-M184 HydrophobicContact CD-SD 4.06Å; K182-M184 HydrophobicContact CG-CE 4.4Å; K182-M184 HydrophobicContact CG-CG 4.12Å; K182-M184 HydrophobicContact CG-SD 4.41Å; K182-V196 CarbonylContact O-C 3.58Å; K182-V196 WeakPolarHBondContact O-CA 3.32Å; K182-D197 PolarHBondContact N-OD1 3.35Å; K182-D197 PolarHBondContact O-N 3.24Å; K182-W237 HydrophobicContact CD-CZ3 4.31Å; K182-E250 HydrophobicContact CD-CG 3.78Å; K182-E250 IonicContact NZ-OE1 3.61Å; K182-E250 PolarHBondContact NZ-OE1 2.83Å; K182-T251 PolarHBondContact NZ-O 2.83Å; K182-E254 WeakPolarHBondContact CE-OE1 3.32Å; K182-E254 IonicContact NZ-OE1 2.61Å; K182-E254 PolarHBondContact NZ-OE1 3.35Å; K182-E254 IonicContact NZ-OE2 3Å; K182-E254 PolarHBondContact NZ-OE2 2.82Å; K182-L255 HydrophobicContact CB-CD1 4.12Å |
| 183 | I | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 141.7 | 171 | 68.8 | 174.3 | 0 | 0 | 0 | 109.5 | T115 F117 I144 L175 F195 V196 | T115-I183 HydrophobicContact CG2-CD1 3.98Å; T115-I183 HydrophobicContact CG2-CG1 3.47Å; T115-I183 VanDerWaalsContact CG2-CG1 3.47Å; T115-I183 PolarHBondContact N-O 3.32Å; T115-I183 PolarHBondContact O-N 3.02Å; F117-I183 HydrophobicContact CD1-CG1 4.41Å; F117-I183 HydrophobicContact CE1-CB 4.44Å; F117-I183 HydrophobicContact CE1-CD1 3.76Å; F117-I183 HydrophobicContact CE1-CG1 3.82Å; F117-I183 HydrophobicContact CE1-CG2 3.9Å; F117-I183 HydrophobicContact CZ-CD1 4.4Å; I144-I183 HydrophobicContact CG2-CD1 4.3Å; L175-I183 HydrophobicContact CD1-CG2 3.71Å; L175-I183 HydrophobicContact CD2-CG2 4.1Å; I183-F195 WeakPolarHBondContact CA-O 3.31Å; I183-V196 HydrophobicContact CG2-CG2 4.26Å |
| 184 | M | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 135.1 | 178.2 | -50.9 | 168.9 | -88.3 | 0 | 0 | 109.7 | F113 L114 K182 F195 C198 P247 E250 | F113-M184 CarbonylContact O-C 3.22Å; F113-M184 WeakPolarHBondContact O-CA 3.34Å; L114-M184 HydrophobicContact CB-CG 3.99Å; L114-M184 HydrophobicContact CD2-CB 4.49Å; L114-M184 HydrophobicContact CD2-CG 3.87Å; L114-M184 HydrophobicContact CD2-SD 3.65Å; L114-M184 HydrophobicContact CG-CB 4.07Å; L114-M184 HydrophobicContact CG-CG 3.77Å; L114-M184 HydrophobicContact CG-SD 4.22Å; K182-M184 HydrophobicContact CD-CE 4.17Å; K182-M184 HydrophobicContact CD-CG 4.38Å; K182-M184 HydrophobicContact CD-SD 4.06Å; K182-M184 HydrophobicContact CG-CE 4.4Å; K182-M184 HydrophobicContact CG-CG 4.12Å; K182-M184 HydrophobicContact CG-SD 4.41Å; M184-F195 HydrophobicContact CB-CB 4.2Å; M184-F195 HydrophobicContact CE-CB 3.8Å; M184-F195 PolarHBondContact N-O 3.08Å; M184-F195 PolarHBondContact O-N 2.99Å; M184-C198 HydrophobicContact CE-CB 4.36Å; M184-P247 HydrophobicContact CB-CB 3.77Å; M184-P247 HydrophobicContact CB-CG 3.89Å; M184-P247 HydrophobicContact CG-CB 4.46Å; M184-P247 HydrophobicContact SD-CB 3.88Å; M184-E250 HydrophobicContact CE-CB 4.23Å; M184-E250 HydrophobicContact CE-CG 4.28Å; M184-E250 HydrophobicContact SD-CB 3.56Å; M184-E250 VanDerWaalsContact SD-CB 3.56Å; M184-E250 HydrophobicContact SD-CG 3.57Å; M184-E250 VanDerWaalsContact SD-CG 3.57Å |
| 185 | I | 98.5 | Very high | 97 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 114.4 | 176.6 | -57.8 | -178.3 | 0 | 0 | 0 | 107.6 | S112 F113 I144 V153 F155 V187 A192 T193 L194 | S112-I185 CarbonylContact C-O 3.5Å; S112-I185 WeakPolarHBondContact CA-O 3.3Å; F113-I185 PolarHBondContact N-O 3.36Å; F113-I185 PolarHBondContact O-N 3.29Å; I144-I185 HydrophobicContact CD1-CD1 4.02Å; I144-I185 HydrophobicContact CG1-CD1 4.06Å; I144-I185 HydrophobicContact CG2-CD1 3.98Å; V153-I185 HydrophobicContact CG1-CD1 4.24Å; F155-I185 HydrophobicContact CB-CD1 4.3Å; I185-V187 HydrophobicContact CG2-CG2 3.87Å; I185-A192 HydrophobicContact CG2-CB 4.42Å; I185-T193 CarbonylContact C-O 3.53Å; I185-T193 WeakPolarHBondContact CA-O 3.31Å; I185-L194 HydrophobicContact CD1-CD1 4.35Å; I185-L194 HydrophobicContact CG1-CD1 3.78Å |
| 186 | G | 98 | Very high | 97.1 | Very high | 2 Ų | 2 | 27 Ų | 27 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 117.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | A192 T193 P244 | G186-A192 CarbonylContact O-C 3.5Å; G186-A192 WeakPolarHBondContact O-CA 3.14Å; G186-T193 PolarHBondContact N-O 3.33Å; G186-T193 PolarHBondContact O-N 2.63Å; G186-P244 WeakPolarHBondContact CA-O 3.44Å |
| 187 | V | 97.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 103.9 | 179.1 | -172.1 | 0 | 0 | 0 | 0 | 108.1 | E110 Y111 F155 I185 I206 R209 | E110-V187 WeakPolarHBondContact CA-O 3.31Å; Y111-V187 HydrophobicContact CD1-CB 4.3Å; Y111-V187 HydrophobicContact CD2-CG2 4.46Å; Y111-V187 HydrophobicContact CE1-CB 4.12Å; Y111-V187 HydrophobicContact CE1-CG1 4.15Å; Y111-V187 HydrophobicContact CE1-CG2 4.35Å; Y111-V187 HydrophobicContact CE2-CB 4.44Å; Y111-V187 HydrophobicContact CE2-CG2 3.96Å; Y111-V187 PolarHBondContact N-O 3.11Å; Y111-V187 CarbonylContact O-C 3.58Å; Y111-V187 WeakPolarHBondContact O-CA 3.36Å; Y111-V187 WeakPolarHBondContact O-CB 3.25Å; Y111-V187 PolarHBondContact O-N 3.32Å; Y111-V187 VanDerWaalsContact O-O 3.08Å; F155-V187 HydrophobicContact CE1-CG1 4.02Å; F155-V187 HydrophobicContact CE1-CG2 4.16Å; F155-V187 HydrophobicContact CE2-CG2 4.3Å; F155-V187 HydrophobicContact CZ-CG1 4.05Å; F155-V187 HydrophobicContact CZ-CG2 3.94Å; I185-V187 HydrophobicContact CG2-CG2 3.87Å; V187-I206 HydrophobicContact CG1-CD1 3.88Å; V187-R209 VanDerWaalsContact CG1-NH1 3.3Å |
| 188 | E | 96.1 | Very high | 97.1 | Very high | 57 Ų | 57 | 26.2 Ų | 26.2 | 27% | 0.266 | 14% | 0.138 | S | C | . | . | trans | -96.3 | 178.4 | 175.6 | -63.3 | 171.7 | 100.1 | 0 | 0 | 109.9 | S190 S191 R209 P244 | E188-S190 VanDerWaalsContact C-N 3.29Å; E188-S190 PolarHBondContact O-N 2.74Å; E188-S191 PolarHBondContact N-O 2.61Å; E188-S191 PolarHBondContact OE2-OG 3.38Å; E188-R209 PolarHBondContact O-NH2 2.94Å; E188-R209 VanDerWaalsContact O-NH2 3.11Å; E188-P244 HydrophobicContact CG-CB 3.97Å; E188-P244 HydrophobicContact CG-CG 4.36Å | ||
| 189 | R | 93.3 | Very high | 97.1 | Very high | 141 Ų | 141 | 29.3 Ų | 29.3 | 53% | 0.532 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -47.4 | -47 | 178.8 | -175.3 | 177.9 | -69.4 | -82.5 | -10.6 | 114.1 | E109 E110 R209 | E109-R189 IonicContact OE1-CZ 2.72Å; E109-R189 VanDerWaalsContact OE1-CZ 3.31Å; E109-R189 IonicContact OE1-NE 2.81Å; E109-R189 IonicContact OE1-NH1 3.15Å; E109-R189 PolarHBondContact OE1-NH1 2.79Å; E109-R189 IonicContact OE1-NH2 3.9Å; E109-R189 IonicContact OE2-CZ 2.73Å; E109-R189 IonicContact OE2-NH1 2.65Å; E109-R189 PolarHBondContact OE2-NH1 3.47Å; E109-R189 IonicContact OE2-NH2 2.71Å; E109-R189 PolarHBondContact OE2-NH2 3.04Å; E110-R189 PolarHBondContact OE1-N 3.31Å; R189-R209 PolarHBondContact O-NH2 3.1Å |
| 190 | S | 95.4 | Very high | 97.1 | Very high | 78 Ų | 78 | 31.9 Ų | 31.9 | 55% | 0.545 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -130.8 | 5.8 | -171.7 | 57.5 | 0 | 0 | 0 | 0 | 114.7 | E188 P205 I206 | E188-S190 VanDerWaalsContact C-N 3.29Å; E188-S190 PolarHBondContact O-N 2.74Å; S190-P205 WeakPolarHBondContact O-CA 3.16Å; S190-I206 PolarHBondContact O-N 3.03Å |
| 191 | S | 97.7 | Very high | 97.1 | Very high | 23 Ų | 23 | 34.9 Ų | 34.9 | 16% | 0.161 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 148 | 180 | 40.3 | 0 | 0 | 0 | 0 | 111.5 | E188 L204 | E188-S191 PolarHBondContact N-O 2.61Å; E188-S191 PolarHBondContact OE2-OG 3.38Å; S191-L204 WeakPolarHBondContact CA-O 3.39Å |
| 192 | A | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 119.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | F155 F169 I185 G186 S203 L204 I206 | F155-A192 HydrophobicContact CD1-CB 4.07Å; F169-A192 WeakPolarHBondContact CE1-O 3.48Å; F169-A192 HydrophobicContact CZ-CB 4.1Å; F169-A192 WeakPolarHBondContact CZ-O 3.39Å; I185-A192 HydrophobicContact CG2-CB 4.42Å; G186-A192 CarbonylContact O-C 3.5Å; G186-A192 WeakPolarHBondContact O-CA 3.14Å; A192-S203 WeakPolarHBondContact O-CA 3.39Å; A192-L204 PolarHBondContact N-O 2.94Å; A192-L204 PolarHBondContact O-N 2.88Å; A192-I206 HydrophobicContact CB-CD1 4.49Å; A192-I206 HydrophobicContact CB-CG2 3.78Å |
| 193 | T | 98.5 | Very high | 97 | Very high | 12 Ų | 12 | 40.5 Ų | 40.5 | 7% | 0.074 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 122.1 | 179.3 | -56.6 | 0 | 0 | 0 | 0 | 110.5 | I185 G186 F195 R200 E202 S203 | I185-T193 CarbonylContact C-O 3.53Å; I185-T193 WeakPolarHBondContact CA-O 3.31Å; G186-T193 PolarHBondContact N-O 3.33Å; G186-T193 PolarHBondContact O-N 2.63Å; T193-F195 HydrophobicContact CG2-CD2 4.09Å; T193-F195 HydrophobicContact CG2-CE2 3.4Å; T193-F195 HydrophobicContact CG2-CZ 3.7Å; T193-R200 HydrophobicContact CG2-CG 3.94Å; T193-E202 WeakPolarHBondContact CA-O 3.21Å; T193-S203 WeakPolarHBondContact OG1-CB 3.39Å; T193-S203 PolarHBondContact OG1-OG 3.05Å |
| 194 | L | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 134.4 | 174.2 | 178.6 | 68.4 | 0 | 0 | 0 | 110.9 | V153 F169 L172 I185 V196 I201 E202 | V153-L194 HydrophobicContact CB-CD2 4.18Å; V153-L194 HydrophobicContact CG1-CD1 4.27Å; F169-L194 HydrophobicContact CB-CB 4.44Å; F169-L194 HydrophobicContact CB-CD2 3.44Å; F169-L194 VanDerWaalsContact CB-CD2 3.44Å; F169-L194 HydrophobicContact CD1-CB 3.66Å; F169-L194 HydrophobicContact CD1-CD2 4.26Å; F169-L194 HydrophobicContact CD2-CB 3.92Å; F169-L194 HydrophobicContact CD2-CD2 3.99Å; F169-L194 HydrophobicContact CD2-CG 4.43Å; F169-L194 HydrophobicContact CE1-CB 3.73Å; F169-L194 HydrophobicContact CE2-CB 4.02Å; F169-L194 HydrophobicContact CG-CB 3.74Å; F169-L194 HydrophobicContact CG-CD2 3.64Å; F169-L194 HydrophobicContact CG-CG 4.29Å; F169-L194 HydrophobicContact CZ-CB 3.92Å; L172-L194 HydrophobicContact CD1-CD2 3.65Å; L172-L194 HydrophobicContact CD2-CD2 4.39Å; I185-L194 HydrophobicContact CD1-CD1 4.35Å; I185-L194 HydrophobicContact CG1-CD1 3.78Å; L194-V196 HydrophobicContact CD1-CG2 4.3Å; L194-V196 HydrophobicContact CD2-CG2 4.05Å; L194-V196 HydrophobicContact CG-CG2 4.06Å; L194-I201 PolarHBondContact O-N 2.77Å; L194-E202 PolarHBondContact N-O 2.85Å |
| 195 | F | 98.1 | Very high | 97 | Very high | 18 Ų | 18 | 47.4 Ų | 47.4 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 138 | 167.8 | -56.7 | -107 | 0 | 0 | 0 | 109.1 | I183 M184 T193 N199 R200 P247 R248 | I183-F195 WeakPolarHBondContact CA-O 3.31Å; M184-F195 HydrophobicContact CB-CB 4.2Å; M184-F195 HydrophobicContact CE-CB 3.8Å; M184-F195 PolarHBondContact N-O 3.08Å; M184-F195 PolarHBondContact O-N 2.99Å; T193-F195 HydrophobicContact CG2-CD2 4.09Å; T193-F195 HydrophobicContact CG2-CE2 3.4Å; T193-F195 HydrophobicContact CG2-CZ 3.7Å; F195-N199 CarbonylContact C-O 3.58Å; F195-N199 WeakPolarHBondContact CA-O 3.47Å; F195-R200 VanDerWaalsContact CD1-CA 3.47Å; F195-R200 HydrophobicContact CD1-CB 3.7Å; F195-R200 HydrophobicContact CD1-CG 4.22Å; F195-R200 HydrophobicContact CE1-CB 3.57Å; F195-R200 HydrophobicContact CE1-CG 3.84Å; F195-R200 HydrophobicContact CZ-CB 4.4Å; F195-R200 HydrophobicContact CZ-CG 4.19Å; F195-P247 HydrophobicContact CD2-CB 3.6Å; F195-P247 HydrophobicContact CD2-CG 4.36Å; F195-P247 HydrophobicContact CE2-CB 3.77Å; F195-P247 HydrophobicContact CE2-CG 4.43Å; F195-P247 HydrophobicContact CG-CB 4.06Å; F195-P247 HydrophobicContact CZ-CB 4.34Å; F195-R248 HydrophobicContact CE1-CG 4.29Å; F195-R248 HydrophobicContact CZ-CG 3.93Å |
| 196 | V | 97.3 | Very high | 96.9 | Very high | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.03 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 127.4 | 175.8 | -179.1 | 0 | 0 | 0 | 0 | 108.1 | L172 L175 K182 I183 L194 C198 N199 I201 | L172-V196 HydrophobicContact CD2-CG2 4.35Å; L175-V196 HydrophobicContact CD1-CG1 4.35Å; K182-V196 CarbonylContact O-C 3.58Å; K182-V196 WeakPolarHBondContact O-CA 3.32Å; I183-V196 HydrophobicContact CG2-CG2 4.26Å; L194-V196 HydrophobicContact CD1-CG2 4.3Å; L194-V196 HydrophobicContact CD2-CG2 4.05Å; L194-V196 HydrophobicContact CG-CG2 4.06Å; V196-C198 PolarHBondContact O-N 2.8Å; V196-N199 PolarHBondContact N-O 2.78Å; V196-N199 WeakPolarHBondContact O-CB 3.35Å; V196-N199 PolarHBondContact O-N 3.13Å; V196-I201 HydrophobicContact CB-CD1 4.1Å; V196-I201 HydrophobicContact CB-CG1 3.85Å; V196-I201 HydrophobicContact CG2-CD1 4.44Å; V196-I201 HydrophobicContact CG2-CG1 3.7Å |
| 197 | D | 95.9 | Very high | 96.8 | Very high | 24 Ų | 24 | 53.6 Ų | 53.6 | 13% | 0.128 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 43 | -177.8 | -57.7 | -22.5 | 0 | 0 | 0 | 112.4 | H181 K182 N199 L255 R258 | H181-D197 VanDerWaalsContact CA-OD1 3.24Å; H181-D197 WeakPolarHBondContact CA-OD1 3.46Å; H181-D197 IonicContact CE1-OD2 2.89Å; H181-D197 PolarHBondContact CE1-OD2 3.34Å; H181-D197 IonicContact CG-OD1 2.66Å; H181-D197 IonicContact CG-OD2 3.72Å; H181-D197 IonicContact ND1-OD1 3.42Å; H181-D197 PolarHBondContact ND1-OD1 3.35Å; H181-D197 IonicContact ND1-OD2 3.69Å; H181-D197 PolarHBondContact ND1-OD2 2.73Å; K182-D197 PolarHBondContact N-OD1 3.35Å; K182-D197 PolarHBondContact O-N 3.24Å; D197-N199 PolarHBondContact O-N 3.43Å; D197-N199 PolarHBondContact O-ND2 3.28Å; D197-L255 HydrophobicContact CB-CD1 4.01Å; D197-L255 WeakPolarHBondContact OD1-CD1 3.41Å; D197-R258 IonicContact OD2-CZ 3.93Å; D197-R258 IonicContact OD2-NE 3.32Å; D197-R258 IonicContact OD2-NH2 3.92Å |
| 198 | C | 95.3 | Very high | 96.6 | Very high | 36 Ų | 36 | 57.3 Ų | 57.3 | 24% | 0.243 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 8.5 | -178.3 | -58.2 | 0 | 0 | 0 | 0 | 115.7 | M184 V196 T251 C252 | M184-C198 HydrophobicContact CE-CB 4.36Å; V196-C198 PolarHBondContact O-N 2.8Å; C198-T251 PolarHBondContact SG-O 2.87Å; C198-C252 HydrophobicContact CB-CB 3.81Å; C198-C252 WeakPolarHBondContact CB-SG 3.19Å; C198-C252 PolarHBondContact N-SG 2.74Å; C198-C252 VanDerWaalsContact SG-CA 3.59Å; C198-C252 WeakPolarHBondContact SG-CB 3.3Å; C198-C252 PolarHBondContact SG-N 3.05Å; C198-C252 CovalentContact SG-SG 2.04Å; C198-C252 PolarHBondContact SG-SG 2.78Å |
| 199 | N | 95.1 | Very high | 96.6 | Very high | 106 Ų | 106 | 56.9 Ų | 56.9 | 57% | 0.567 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 134.4 | 171.2 | -58.6 | -62.6 | 0 | 0 | 0 | 110 | F195 V196 D197 I201 | F195-N199 CarbonylContact C-O 3.58Å; F195-N199 WeakPolarHBondContact CA-O 3.47Å; V196-N199 PolarHBondContact N-O 2.78Å; V196-N199 WeakPolarHBondContact O-CB 3.35Å; V196-N199 PolarHBondContact O-N 3.13Å; D197-N199 PolarHBondContact O-N 3.43Å; D197-N199 PolarHBondContact O-ND2 3.28Å; N199-I201 HydrophobicContact CB-CD1 4.49Å; N199-I201 PolarHBondContact O-N 2.92Å |
| 200 | R | 96.2 | Very high | 96.6 | Very high | 153 Ų | 153 | 50.7 Ų | 50.7 | 58% | 0.577 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 123 | 172.4 | -175.8 | 177.9 | 172.2 | -84.4 | 4 | 109 | T193 F195 S203 | T193-R200 HydrophobicContact CG2-CG 3.94Å; F195-R200 VanDerWaalsContact CD1-CA 3.47Å; F195-R200 HydrophobicContact CD1-CB 3.7Å; F195-R200 HydrophobicContact CD1-CG 4.22Å; F195-R200 HydrophobicContact CE1-CB 3.57Å; F195-R200 HydrophobicContact CE1-CG 3.84Å; F195-R200 HydrophobicContact CZ-CB 4.4Å; F195-R200 HydrophobicContact CZ-CG 4.19Å; R200-S203 VanDerWaalsContact NH2-CB 3.28Å |
| 201 | I | 96.6 | Very high | 96.5 | Very high | 73 Ų | 73 | 52.5 Ų | 52.5 | 37% | 0.374 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -63.3 | -179.8 | -54.4 | -53.6 | 0 | 0 | 0 | 110.8 | L172 L194 V196 N199 | L172-I201 HydrophobicContact CD2-CG1 4.38Å; L172-I201 HydrophobicContact CD2-CG2 3.87Å; L194-I201 PolarHBondContact O-N 2.77Å; V196-I201 HydrophobicContact CB-CD1 4.1Å; V196-I201 HydrophobicContact CB-CG1 3.85Å; V196-I201 HydrophobicContact CG2-CD1 4.44Å; V196-I201 HydrophobicContact CG2-CG1 3.7Å; N199-I201 HydrophobicContact CB-CD1 4.49Å; N199-I201 PolarHBondContact O-N 2.92Å |
| 202 | E | 96.2 | Very high | 96.4 | Very high | 76 Ų | 76 | 52.7 Ų | 52.7 | 36% | 0.355 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 151.3 | -171.9 | -178.3 | 175.5 | -146.5 | 0 | 0 | 110 | F169 T193 L194 L204 | F169-E202 HydrophobicContact CD1-CB 4.02Å; F169-E202 HydrophobicContact CD1-CG 4.28Å; T193-E202 WeakPolarHBondContact CA-O 3.21Å; L194-E202 PolarHBondContact N-O 2.85Å; E202-L204 HydrophobicContact CG-CD2 4.02Å; E202-L204 HydrophobicContact CG-CG 4.15Å; E202-L204 WeakPolarHBondContact OE1-CD2 3.42Å |
| 203 | S | 97.9 | Very high | 96.2 | Very high | 44 Ų | 44 | 55.4 Ų | 55.4 | 31% | 0.308 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 117.6 | 172.1 | 174.7 | 0 | 0 | 0 | 0 | 108.9 | A192 T193 R200 | A192-S203 WeakPolarHBondContact O-CA 3.39Å; T193-S203 WeakPolarHBondContact OG1-CB 3.39Å; T193-S203 PolarHBondContact OG1-OG 3.05Å; R200-S203 VanDerWaalsContact NH2-CB 3.28Å |
| 204 | L | 98.2 | Very high | 96 | Very high | 33 Ų | 33 | 56.3 Ų | 56.3 | 17% | 0.173 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 139.7 | -179.5 | -66.8 | 177.1 | 0 | 0 | 0 | 110.5 | A167 A168 F169 S191 A192 E202 | A167-L204 HydrophobicContact CB-CB 4.25Å; A167-L204 HydrophobicContact CB-CD1 4.15Å; A168-L204 WeakPolarHBondContact O-CD1 3.39Å; F169-L204 HydrophobicContact CD1-CD1 3.6Å; F169-L204 HydrophobicContact CD1-CG 3.88Å; F169-L204 HydrophobicContact CE1-CB 4.05Å; F169-L204 HydrophobicContact CE1-CD1 3.63Å; F169-L204 HydrophobicContact CE1-CG 3.61Å; F169-L204 HydrophobicContact CG-CD1 4.12Å; F169-L204 HydrophobicContact CZ-CB 4.42Å; F169-L204 HydrophobicContact CZ-CD1 4.14Å; F169-L204 HydrophobicContact CZ-CG 4.36Å; S191-L204 WeakPolarHBondContact CA-O 3.39Å; A192-L204 PolarHBondContact N-O 2.94Å; A192-L204 PolarHBondContact O-N 2.88Å; E202-L204 HydrophobicContact CG-CD2 4.02Å; E202-L204 HydrophobicContact CG-CG 4.15Å; E202-L204 WeakPolarHBondContact OE1-CD2 3.42Å |
| 205 | P | 97.7 | Very high | 95.9 | Very high | 113 Ų | 113 | 60.3 Ų | 60.3 | 73% | 0.734 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 136.4 | 173.4 | 29.1 | -33.5 | 0 | 0 | 0 | 110.2 | S190 | S190-P205 WeakPolarHBondContact O-CA 3.16Å |
| 206 | I | 97.3 | Very high | 95.7 | Very high | 10 Ų | 10 | 59.4 Ų | 59.4 | 5% | 0.051 | 32% | 0.32 | C | S | . | . | trans | -118.4 | 146.3 | 172.8 | 61.2 | 171.1 | 0 | 0 | 0 | 110.2 | F155 Y157 A167 V187 S190 A192 | F155-I206 HydrophobicContact CE1-CD1 4.34Å; Y157-I206 HydrophobicContact CE1-CB 3.93Å; Y157-I206 HydrophobicContact CE1-CG2 3.78Å; Y157-I206 WeakPolarHBondContact OH-CB 3.47Å; A167-I206 HydrophobicContact CB-CG2 3.95Å; V187-I206 HydrophobicContact CG1-CD1 3.88Å; S190-I206 PolarHBondContact O-N 3.03Å; A192-I206 HydrophobicContact CB-CD1 4.49Å; A192-I206 HydrophobicContact CB-CG2 3.78Å | ||
| 207 | K | 95.6 | Very high | 95.7 | Very high | 122 Ų | 122 | 62.1 Ų | 62.1 | 53% | 0.53 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -73 | 159.2 | 173.4 | -65.7 | 177.5 | -174.5 | 164.4 | 0 | 109.7 | Y157 R209 | Y157-K207 WeakPolarHBondContact CE2-O 3.34Å; Y157-K207 PolarHBondContact OH-N 2.97Å; K207-R209 PolarHBondContact O-N 2.84Å |
| 208 | P | 94.3 | Very high | 95.7 | Very high | 79 Ų | 79 | 61 Ų | 61 | 51% | 0.513 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -52.1 | 135.6 | 170.8 | -26.4 | 35.3 | 0 | 0 | 0 | 111.4 | L160 | L160-P208 HydrophobicContact CD1-CB 3.74Å; L160-P208 HydrophobicContact CD1-CG 4.38Å; L160-P208 HydrophobicContact CD2-CB 4.5Å; L160-P208 HydrophobicContact CG-CB 3.97Å; L160-P208 PolarHBondContact N-O 3.2Å |
| 209 | R | 94.8 | Very high | 95.8 | Very high | 48 Ų | 48 | 59.3 Ų | 59.3 | 18% | 0.181 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -83.8 | 137.5 | -178.3 | -77.3 | 148.9 | -68.2 | 157.8 | 4 | 110.2 | E109 Y157 K158 L160 V187 E188 R189 K207 | E109-R209 PolarHBondContact O-NH1 2.97Å; E109-R209 PolarHBondContact O-NH2 2.83Å; Y157-R209 HydrophobicContact CD2-CB 4.46Å; Y157-R209 HydrophobicContact CD2-CG 3.35Å; Y157-R209 HydrophobicContact CE2-CG 3.96Å; Y157-R209 HydrophobicContact CG-CG 3.98Å; K158-R209 CarbonylContact O-C 3.47Å; K158-R209 WeakPolarHBondContact O-CA 3.4Å; L160-R209 WeakPolarHBondContact CD2-O 3.34Å; V187-R209 VanDerWaalsContact CG1-NH1 3.3Å; E188-R209 PolarHBondContact O-NH2 2.94Å; E188-R209 VanDerWaalsContact O-NH2 3.11Å; R189-R209 PolarHBondContact O-NH2 3.1Å; K207-R209 PolarHBondContact O-N 2.84Å |
| 210 | G | 92.9 | Very high | 95.9 | Very high | 11 Ų | 11 | 54.5 Ų | 54.5 | 11% | 0.113 | 29% | 0.288 | C | S | . | . | trans | -89.6 | 175 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K158 G159 | K158-G210 PolarHBondContact O-N 2.9Å; G159-G210 WeakPolarHBondContact O-CA 3.3Å | ||
| 211 | P | 94 | Very high | 95.8 | Very high | 116 Ų | 116 | 47.3 Ų | 47.3 | 75% | 0.753 | 26% | 0.262 | S | S | * | . | trans | -61.4 | 146.2 | 173 | 28.3 | -34.6 | 0 | 0 | 0 | 110.6 | ||||
| 212 | I | 95.7 | Very high | 95.8 | Very high | 28 Ų | 28 | 44 Ų | 44 | 14% | 0.144 | 24% | 0.244 | C | C | . | . | trans | -106.4 | 147.5 | 175.9 | 64.1 | 171.6 | 0 | 0 | 0 | 109.9 | L107 I133 Q141 V142 K158 T214 | L107-I212 HydrophobicContact CG-CD1 4.35Å; I133-I212 HydrophobicContact CD1-CD1 3.85Å; I133-I212 HydrophobicContact CG2-CD1 4.44Å; Q141-I212 HydrophobicContact CB-CB 4.11Å; Q141-I212 HydrophobicContact CB-CG2 4.31Å; V142-I212 HydrophobicContact CG2-CD1 4.48Å; V142-I212 HydrophobicContact CG2-CG2 3.74Å; K158-I212 HydrophobicContact CB-CG2 4.19Å; K158-I212 HydrophobicContact CG-CG2 4.24Å; I212-T214 HydrophobicContact CG1-CG2 4.31Å; I212-T214 PolarHBondContact O-N 3.03Å | ||
| 213 | D | 95 | Very high | 95.7 | Very high | 57 Ų | 57 | 42.2 Ų | 42.2 | 31% | 0.305 | 24% | 0.237 | S | C | . | . | trans | -72.9 | 119.1 | 171.7 | -174.5 | -15.7 | 0 | 0 | 0 | 110.3 | D135 Q141 D215 | D135-D213 HydrophobicContact CB-CB 3.91Å; D135-D213 WeakPolarHBondContact CB-OD2 3.38Å; Q141-D213 HydrophobicContact CG-CB 4.33Å; Q141-D213 VanDerWaalsContact OE1-N 3.14Å; D213-D215 WeakPolarHBondContact OD1-CB 3.34Å; D213-D215 PolarHBondContact OD1-N 2.66Å | ||
| 214 | T | 94.5 | Very high | 95.4 | Very high | 31 Ų | 31 | 41.7 Ų | 41.7 | 19% | 0.19 | 24% | 0.235 | C | C | . | . | trans | -97 | 2 | -178 | 59.1 | 0 | 0 | 0 | 0 | 113.6 | T99 R100 Y103 I212 G216 | T99-T214 WeakPolarHBondContact CB-O 3.19Å; T99-T214 HydrophobicContact CG2-CG2 4.2Å; R100-T214 PolarHBondContact N-O 3.15Å; Y103-T214 WeakPolarHBondContact O-CG2 3.33Å; I212-T214 HydrophobicContact CG1-CG2 4.31Å; I212-T214 PolarHBondContact O-N 3.03Å; T214-G216 VanDerWaalsContact C-N 3.28Å; T214-G216 PolarHBondContact O-N 2.98Å | ||
| 215 | D | 94.7 | Very high | 95 | Very high | 83 Ų | 83 | 46.8 Ų | 46.8 | 44% | 0.444 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -76.9 | -13.8 | -177.5 | -82.4 | -39.3 | 0 | 0 | 0 | 114.2 | R100 D213 | R100-D215 IonicContact CZ-OD1 3.93Å; R100-D215 IonicContact NH1-OD1 2.82Å; R100-D215 PolarHBondContact NH1-OD1 2.76Å; R100-D215 PolarHBondContact NH2-O 3.22Å; R100-D215 VanDerWaalsContact NH2-O 3.1Å; R100-D215 IonicContact NH2-OD1 3.8Å; R100-D215 PolarHBondContact NH2-OD1 3Å; D213-D215 WeakPolarHBondContact OD1-CB 3.34Å; D213-D215 PolarHBondContact OD1-N 2.66Å |
| 216 | G | 95.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -91.6 | -135.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | P98 T99 Q134 D135 T214 | P98-G216 WeakPolarHBondContact CA-O 3.26Å; T99-G216 PolarHBondContact N-O 3.3Å; T99-G216 PolarHBondContact OG1-O 2.8Å; Q134-G216 CarbonylContact O-C 3.5Å; Q134-G216 VanDerWaalsContact O-CA 3.23Å; Q134-G216 WeakPolarHBondContact O-CA 3.41Å; D135-G216 VanDerWaalsContact C-CA 3.46Å; T214-G216 VanDerWaalsContact C-N 3.28Å; T214-G216 PolarHBondContact O-N 2.98Å |
| 217 | F | 96.8 | Very high | 94.1 | Very high | 62 Ų | 62 | 45.7 Ų | 45.7 | 27% | 0.272 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 142.8 | -170.3 | -60.1 | -91.9 | 0 | 0 | 0 | 112.5 | R96 I97 P98 T99 Q134 V219 | R96-F217 HydrophobicContact CB-CB 4.31Å; R96-F217 HydrophobicContact CB-CD1 4.23Å; R96-F217 HydrophobicContact CB-CG 4.49Å; R96-F217 HydrophobicContact CG-CD1 4.22Å; I97-F217 CarbonylContact O-C 3.6Å; I97-F217 VanDerWaalsContact O-CA 3.26Å; I97-F217 WeakPolarHBondContact O-CA 3.15Å; P98-F217 HydrophobicContact CG-CD1 4.31Å; P98-F217 HydrophobicContact CG-CE1 4.02Å; T99-F217 VanDerWaalsContact OG1-CA 3.27Å; T99-F217 WeakPolarHBondContact OG1-CA 3.33Å; T99-F217 PolarHBondContact OG1-N 2.84Å; Q134-F217 HydrophobicContact CG-CB 4.44Å; Q134-F217 WeakPolarHBondContact CG-O 3.33Å; Q134-F217 PolarHBondContact N-O 2.89Å; Q134-F217 PolarHBondContact O-N 2.79Å; F217-V219 HydrophobicContact CB-CG1 3.81Å |
| 218 | A | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 129.6 | 156.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | F63 R96 I97 T99 L102 Y103 Q132 I133 | F63-A218 VanDerWaalsContact CE1-O 3.3Å; F63-A218 WeakPolarHBondContact CE1-O 3.25Å; F63-A218 HydrophobicContact CZ-CB 3.88Å; F63-A218 WeakPolarHBondContact CZ-O 3.08Å; R96-A218 CarbonylContact C-O 3.6Å; R96-A218 WeakPolarHBondContact CA-O 3.46Å; I97-A218 PolarHBondContact N-O 2.96Å; I97-A218 PolarHBondContact O-N 3.21Å; T99-A218 PolarHBondContact OG1-N 3.34Å; L102-A218 HydrophobicContact CD1-CB 3.84Å; Y103-A218 HydrophobicContact CE2-CB 4.43Å; Q132-A218 CarbonylContact O-C 3.46Å; Q132-A218 WeakPolarHBondContact O-CA 3.32Å; I133-A218 HydrophobicContact CG1-CB 4.36Å |
| 219 | V | 96.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 154.3 | -174.6 | -54.9 | 0 | 0 | 0 | 0 | 111.9 | F95 R96 Q132 Q134 F217 K222 | F95-V219 WeakPolarHBondContact O-CA 3.16Å; R96-V219 HydrophobicContact CB-CG1 3.68Å; Q132-V219 HydrophobicContact CG-CG2 3.31Å; Q132-V219 PolarHBondContact N-O 2.91Å; Q132-V219 VanDerWaalsContact N-O 3.1Å; Q132-V219 PolarHBondContact O-N 3.28Å; Q134-V219 HydrophobicContact CG-CG1 4.41Å; F217-V219 HydrophobicContact CB-CG1 3.81Å; V219-K222 HydrophobicContact CB-CG 4.12Å; V219-K222 HydrophobicContact CG2-CB 4.46Å; V219-K222 HydrophobicContact CG2-CG 3.61Å |
| 220 | L | 96.5 | Very high | 93.6 | Very high | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 139.9 | 179.1 | -56.4 | -178.6 | 0 | 0 | 0 | 112.2 | F63 V65 L89 F95 I130 W131 K222 M238 | F63-L220 HydrophobicContact CB-CD1 4.08Å; F63-L220 HydrophobicContact CD1-CD1 3.94Å; F63-L220 HydrophobicContact CD1-CG 3.96Å; F63-L220 HydrophobicContact CD2-CD1 4.12Å; F63-L220 HydrophobicContact CD2-CD2 4.5Å; F63-L220 HydrophobicContact CD2-CG 4.38Å; F63-L220 HydrophobicContact CE1-CD1 4.35Å; F63-L220 HydrophobicContact CE1-CD2 4.43Å; F63-L220 HydrophobicContact CE1-CG 3.87Å; F63-L220 HydrophobicContact CE2-CD2 4.15Å; F63-L220 HydrophobicContact CE2-CG 4.31Å; F63-L220 HydrophobicContact CG-CD1 3.79Å; F63-L220 HydrophobicContact CG-CG 4.2Å; F63-L220 HydrophobicContact CZ-CD2 4.1Å; F63-L220 HydrophobicContact CZ-CG 4.04Å; V65-L220 HydrophobicContact CG2-CD1 4.44Å; L89-L220 HydrophobicContact CD2-CD1 4.32Å; F95-L220 HydrophobicContact CB-CB 4.1Å; F95-L220 HydrophobicContact CB-CD1 4.03Å; F95-L220 HydrophobicContact CB-CG 4.18Å; F95-L220 PolarHBondContact O-N 2.82Å; F95-L220 VanDerWaalsContact O-N 3.17Å; I130-L220 WeakPolarHBondContact O-CA 3.39Å; W131-L220 HydrophobicContact CB-CD2 4.21Å; W131-L220 HydrophobicContact CG-CD2 4.38Å; L220-K222 PolarHBondContact O-N 2.89Å; L220-M238 HydrophobicContact CD2-CE 4.11Å; L220-M238 HydrophobicContact CD2-SD 3.6Å; L220-M238 VanDerWaalsContact CD2-SD 3.6Å |
| 221 | G | 95.6 | Very high | 93.7 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 59.4 | 47.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 115 | N129 I130 S230 V231 | N129-G221 CarbonylContact O-C 3.59Å; N129-G221 WeakPolarHBondContact O-CA 3.41Å; N129-G221 PolarHBondContact O-N 2.58Å; N129-G221 VanDerWaalsContact O-N 3.15Å; I130-G221 PolarHBondContact O-N 2.94Å; G221-S230 CarbonylContact O-C 3.57Å; G221-S230 VanDerWaalsContact O-CA 3.31Å; G221-S230 WeakPolarHBondContact O-CA 3.31Å; G221-V231 PolarHBondContact O-N 3.34Å |
| 222 | K | 94.9 | Very high | 93.7 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 1% | 0.013 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 143.8 | -179.6 | -64.6 | -51.8 | -166.5 | 173.8 | 0 | 112 | D94 W128 N129 V219 L220 P227 S230 | D94-K222 WeakPolarHBondContact OD1-CE 3.27Å; D94-K222 IonicContact OD1-NZ 2.81Å; D94-K222 PolarHBondContact OD1-NZ 3.49Å; W128-K222 CarbonylContact C-O 3.53Å; W128-K222 VanDerWaalsContact CA-O 3.32Å; W128-K222 WeakPolarHBondContact CA-O 2.99Å; W128-K222 WeakPolarHBondContact CB-O 3.36Å; N129-K222 PolarHBondContact N-O 3.04Å; N129-K222 PolarHBondContact O-N 3Å; V219-K222 HydrophobicContact CB-CG 4.12Å; V219-K222 HydrophobicContact CG2-CB 4.46Å; V219-K222 HydrophobicContact CG2-CG 3.61Å; L220-K222 PolarHBondContact O-N 2.89Å; K222-P227 WeakPolarHBondContact CD-O 3.18Å; K222-P227 WeakPolarHBondContact CE-O 3.34Å; K222-S230 PolarHBondContact NZ-OG 3.11Å |
| 223 | L | 94.6 | Very high | 93.8 | Very high | 39 Ų | 39 | 38.3 Ų | 38.3 | 20% | 0.204 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 136.9 | 173.9 | -164 | 73.4 | 0 | 0 | 0 | 109.5 | K126 N127 D225 N226 V229 V231 | K126-L223 HydrophobicContact CB-CD1 4.21Å; K126-L223 HydrophobicContact CD-CD1 4.25Å; K126-L223 HydrophobicContact CG-CD1 4.45Å; N127-L223 WeakPolarHBondContact O-CD1 3.32Å; L223-D225 VanDerWaalsContact C-N 3.3Å; L223-D225 PolarHBondContact O-N 3.01Å; L223-N226 HydrophobicContact CD2-CB 4.38Å; L223-N226 CarbonylContact O-C 3.51Å; L223-N226 PolarHBondContact O-N 3.09Å; L223-V229 HydrophobicContact CB-CB 4.15Å; L223-V229 HydrophobicContact CB-CG1 4.38Å; L223-V229 HydrophobicContact CD2-CG1 4.5Å; L223-V229 PolarHBondContact N-O 2.81Å; L223-V231 HydrophobicContact CB-CG2 4.1Å; L223-V231 HydrophobicContact CD1-CG2 3.82Å |
| 224 | A | 91.8 | Very high | 93.9 | Very high | 32 Ų | 32 | 36.6 Ų | 36.6 | 26% | 0.264 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -62.1 | -39.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | N127 K145 | N127-A224 HydrophobicContact CB-CB 4.28Å; N127-A224 WeakPolarHBondContact O-CB 3.39Å; N127-A224 PolarHBondContact O-N 2.81Å; K145-A224 HydrophobicContact CD-CB 4.01Å |
| 225 | D | 89.3 | Confident | 94 | Very high | 140 Ų | 140 | 35.1 Ų | 35.1 | 75% | 0.749 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -83.8 | -17.9 | -178.3 | -51.5 | -36.7 | 0 | 0 | 0 | 112.7 | L223 | L223-D225 VanDerWaalsContact C-N 3.3Å; L223-D225 PolarHBondContact O-N 3.01Å |
| 226 | N | 90.4 | Very high | 94.1 | Very high | 68 Ų | 68 | 31.9 Ų | 31.9 | 36% | 0.364 | 18% | 0.175 | S | C | . | . | trans | -143.6 | 97.9 | -178.3 | -170.5 | -20.6 | 0 | 0 | 0 | 111.4 | L223 Q228 V229 | L223-N226 HydrophobicContact CD2-CB 4.38Å; L223-N226 CarbonylContact O-C 3.51Å; L223-N226 PolarHBondContact O-N 3.09Å; N226-Q228 PolarHBondContact O-N 3.43Å; N226-Q228 VanDerWaalsContact O-N 3.09Å; N226-Q228 WeakPolarHBondContact OD1-CB 3.47Å; N226-Q228 PolarHBondContact OD1-N 3.28Å; N226-Q228 VanDerWaalsContact OD1-N 3.09Å; N226-V229 HydrophobicContact CB-CB 4.39Å; N226-V229 HydrophobicContact CB-CG2 4.07Å; N226-V229 PolarHBondContact O-N 3.28Å | ||
| 227 | P | 87.3 | Confident | 94.2 | Very high | 32 Ų | 32 | 34.6 Ų | 34.6 | 21% | 0.208 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -10.5 | -175.7 | 27.9 | -34.9 | 0 | 0 | 0 | 113.7 | K222 | K222-P227 WeakPolarHBondContact CD-O 3.18Å; K222-P227 WeakPolarHBondContact CE-O 3.34Å |
| 228 | Q | 87.4 | Confident | 94.2 | Very high | 118 Ų | 118 | 31.6 Ų | 31.6 | 55% | 0.551 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -24 | 174 | -56.8 | -55.4 | -37.8 | 0 | 0 | 112.1 | N226 | N226-Q228 PolarHBondContact O-N 3.43Å; N226-Q228 VanDerWaalsContact O-N 3.09Å; N226-Q228 WeakPolarHBondContact OD1-CB 3.47Å; N226-Q228 PolarHBondContact OD1-N 3.28Å; N226-Q228 VanDerWaalsContact OD1-N 3.09Å |
| 229 | V | 91.4 | Very high | 94.2 | Very high | 60 Ų | 60 | 32.4 Ų | 32.4 | 36% | 0.364 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -88.9 | 116 | -176.6 | 179.2 | 0 | 0 | 0 | 0 | 109.6 | L223 N226 | L223-V229 HydrophobicContact CB-CB 4.15Å; L223-V229 HydrophobicContact CB-CG1 4.38Å; L223-V229 HydrophobicContact CD2-CG1 4.5Å; L223-V229 PolarHBondContact N-O 2.81Å; N226-V229 HydrophobicContact CB-CB 4.39Å; N226-V229 HydrophobicContact CB-CG2 4.07Å; N226-V229 PolarHBondContact O-N 3.28Å |
| 230 | S | 94.1 | Very high | 94.1 | Very high | 14 Ų | 14 | 32.4 Ų | 32.4 | 10% | 0.098 | 18% | 0.176 | C | C | . | . | B | Isolated β-bridge | trans | -76.7 | 148.2 | 169.7 | -58.9 | 0 | 0 | 0 | 0 | 110.8 | G90 N91 G221 K222 | G90-S230 WeakPolarHBondContact O-CB 3.33Å; N91-S230 PolarHBondContact OD1-O 2.64Å; G221-S230 CarbonylContact O-C 3.57Å; G221-S230 VanDerWaalsContact O-CA 3.31Å; G221-S230 WeakPolarHBondContact O-CA 3.31Å; K222-S230 PolarHBondContact NZ-OG 3.11Å |
| 231 | V | 95.1 | Very high | 94 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | trans | -107.2 | 135.2 | 177.2 | 175.5 | 0 | 0 | 0 | 0 | 109 | T123 K126 W128 G221 L223 F233 | T123-V231 HydrophobicContact CG2-CG1 3.41Å; T123-V231 VanDerWaalsContact CG2-CG1 3.41Å; K126-V231 HydrophobicContact CD-CG1 4.24Å; K126-V231 HydrophobicContact CD-CG2 4.47Å; W128-V231 HydrophobicContact CB-CB 4.26Å; W128-V231 HydrophobicContact CB-CG1 4.39Å; W128-V231 HydrophobicContact CB-CG2 3.72Å; W128-V231 HydrophobicContact CD2-CB 4.3Å; W128-V231 HydrophobicContact CD2-CG1 3.99Å; W128-V231 HydrophobicContact CE3-CB 4.3Å; W128-V231 HydrophobicContact CE3-CG1 4.35Å; W128-V231 HydrophobicContact CG-CB 4.3Å; W128-V231 HydrophobicContact CG-CG1 4Å; W128-V231 HydrophobicContact CG-CG2 4.22Å; G221-V231 PolarHBondContact O-N 3.34Å; L223-V231 HydrophobicContact CB-CG2 4.1Å; L223-V231 HydrophobicContact CD1-CG2 3.82Å; V231-F233 WeakPolarHBondContact O-CD1 3.48Å | ||
| 232 | P | 94.9 | Very high | 93.9 | Very high | 49 Ų | 49 | 33 Ų | 33 | 32% | 0.318 | 18% | 0.179 | S | C | . | . | trans | -76.2 | 126.2 | 178.1 | 28.9 | -32.3 | 0 | 0 | 0 | 111.6 | L89 T123 | L89-P232 VanDerWaalsContact O-CA 3.3Å; L89-P232 WeakPolarHBondContact O-CA 3.29Å; T123-P232 PolarHBondContact OG1-O 2.78Å | ||
| 233 | F | 96.8 | Very high | 93.8 | Very high | 7 Ų | 7 | 34.2 Ų | 34.2 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 167.6 | 175 | 74.4 | -72.4 | 0 | 0 | 0 | 109.6 | L89 F117 W128 I130 V231 L235 | L89-F233 HydrophobicContact CB-CD1 4.07Å; L89-F233 HydrophobicContact CB-CE1 3.72Å; L89-F233 HydrophobicContact CB-CZ 4.2Å; L89-F233 HydrophobicContact CD2-CE1 3.93Å; L89-F233 HydrophobicContact CD2-CZ 3.7Å; L89-F233 HydrophobicContact CG-CE1 4.46Å; L89-F233 PolarHBondContact N-O 2.95Å; L89-F233 PolarHBondContact O-N 3.12Å; L89-F233 VanDerWaalsContact O-N 3.11Å; L89-F233 VanDerWaalsContact O-O 3.05Å; F117-F233 HydrophobicContact CB-CD2 4.22Å; W128-F233 HydrophobicContact CH2-CB 3.89Å; W128-F233 HydrophobicContact CH2-CD1 4.03Å; W128-F233 AromaticContact CH2-CD2 3.84Å; W128-F233 HydrophobicContact CH2-CD2 3.84Å; W128-F233 HydrophobicContact CH2-CE2 4.34Å; W128-F233 AromaticContact CH2-CG 3.65Å; W128-F233 HydrophobicContact CH2-CG 3.65Å; W128-F233 HydrophobicContact CZ2-CB 4.44Å; W128-F233 HydrophobicContact CZ3-CB 4.46Å; W128-F233 AromaticContact CZ3-CD1 3.76Å; W128-F233 HydrophobicContact CZ3-CD1 3.76Å; W128-F233 HydrophobicContact CZ3-CD2 4.19Å; W128-F233 AromaticContact CZ3-CE1 3.98Å; W128-F233 HydrophobicContact CZ3-CE1 3.98Å; W128-F233 HydrophobicContact CZ3-CE2 4.34Å; W128-F233 AromaticContact CZ3-CG 3.88Å; W128-F233 HydrophobicContact CZ3-CG 3.88Å; W128-F233 HydrophobicContact CZ3-CZ 4.25Å; I130-F233 HydrophobicContact CD1-CE2 4.15Å; I130-F233 HydrophobicContact CG1-CE2 4.01Å; I130-F233 HydrophobicContact CG1-CZ 4.29Å; V231-F233 WeakPolarHBondContact O-CD1 3.48Å; F233-L235 HydrophobicContact CD2-CB 4.48Å; F233-L235 HydrophobicContact CE2-CB 3.88Å; F233-L235 HydrophobicContact CE2-CD1 4.18Å; F233-L235 HydrophobicContact CE2-CG 4.45Å |
| 234 | E | 97.1 | Very high | 93.8 | Very high | 21 Ų | 21 | 33.2 Ų | 33.2 | 10% | 0.098 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 132.6 | 176.7 | -63.5 | 174.2 | -176.6 | 0 | 0 | 110.2 | V77 Y87 K88 F117 R118 W180 | V77-E234 HydrophobicContact CG2-CG 4.45Å; Y87-E234 CarbonylContact O-C 3.57Å; Y87-E234 VanDerWaalsContact O-CA 3.31Å; Y87-E234 WeakPolarHBondContact O-CA 3.3Å; K88-E234 HydrophobicContact CB-CG 4.3Å; K88-E234 HydrophobicContact CG-CG 4.23Å; F117-E234 CarbonylContact C-O 3.56Å; F117-E234 WeakPolarHBondContact CA-O 3.48Å; F117-E234 WeakPolarHBondContact CB-O 3.39Å; R118-E234 HydrophobicContact CB-CB 4.31Å; R118-E234 IonicContact CZ-OE1 3.96Å; R118-E234 IonicContact CZ-OE2 3.94Å; R118-E234 PolarHBondContact N-O 2.89Å; R118-E234 IonicContact NE-OE1 3.78Å; R118-E234 IonicContact NE-OE2 2.79Å; R118-E234 PolarHBondContact NE-OE2 3.2Å; R118-E234 IonicContact NH2-OE1 3.25Å; R118-E234 PolarHBondContact NH2-OE1 2.88Å; R118-E234 IonicContact NH2-OE2 3.43Å; R118-E234 PolarHBondContact NH2-OE2 2.89Å; R118-E234 PolarHBondContact O-N 3.38Å; W180-E234 HydrophobicContact CH2-CB 3.84Å; W180-E234 HydrophobicContact CZ2-CB 4.33Å; W180-E234 WeakPolarHBondContact CZ2-OE2 3.4Å |
| 235 | L | 97.6 | Very high | 94 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 122.9 | -176.1 | -176.8 | 61.7 | 0 | 0 | 0 | 109.8 | I60 A86 Y87 L89 T115 F117 F233 W237 M238 | I60-L235 HydrophobicContact CD1-CD2 4.5Å; I60-L235 HydrophobicContact CD1-CG 4.33Å; I60-L235 HydrophobicContact CG1-CD2 4.16Å; A86-L235 CarbonylContact C-O 3.58Å; A86-L235 WeakPolarHBondContact CA-O 3.33Å; Y87-L235 WeakPolarHBondContact CD2-O 3.38Å; Y87-L235 PolarHBondContact N-O 2.87Å; Y87-L235 PolarHBondContact O-N 2.91Å; L89-L235 HydrophobicContact CD1-CB 3.93Å; L89-L235 HydrophobicContact CD2-CB 4.5Å; L89-L235 HydrophobicContact CD2-CD2 4.17Å; T115-L235 WeakPolarHBondContact OG1-CD1 3.43Å; F117-L235 HydrophobicContact CB-CD1 4.41Å; F233-L235 HydrophobicContact CD2-CB 4.48Å; F233-L235 HydrophobicContact CE2-CB 3.88Å; F233-L235 HydrophobicContact CE2-CD1 4.18Å; F233-L235 HydrophobicContact CE2-CG 4.45Å; L235-W237 WeakPolarHBondContact CD1-O 3.45Å; L235-M238 HydrophobicContact CD1-CB 4.24Å; L235-M238 HydrophobicContact CD1-CE 3.79Å; L235-M238 HydrophobicContact CD2-CB 4.42Å; L235-M238 HydrophobicContact CD2-CE 4.03Å |
| 236 | Q | 97.1 | Very high | 94.3 | Very high | 15 Ų | 15 | 30.4 Ų | 30.4 | 7% | 0.07 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | -40.9 | 174.2 | 177.8 | 177.6 | -49.8 | 0 | 0 | 111.5 | I60 S80 A86 T116 W180 | I60-Q236 WeakPolarHBondContact CD1-O 3.23Å; S80-Q236 PolarHBondContact OG-NE2 2.92Å; S80-Q236 PolarHBondContact OG-OE1 2.73Å; A86-Q236 HydrophobicContact CB-CB 4.06Å; T116-Q236 HydrophobicContact CG2-CB 4.15Å; T116-Q236 PolarHBondContact O-N 3.11Å; W180-Q236 HydrophobicContact CE3-CB 4.36Å; W180-Q236 HydrophobicContact CH2-CB 4.13Å; W180-Q236 HydrophobicContact CZ3-CB 3.63Å |
| 237 | W | 96.5 | Very high | 94.5 | Very high | 56 Ų | 56 | 27.3 Ų | 27.3 | 21% | 0.212 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 141.6 | -173.7 | -172.3 | 51.5 | 0 | 0 | 0 | 111.5 | L114 T115 T116 K182 L235 L239 E250 | L114-W237 HydrophobicContact CB-CE3 4.41Å; L114-W237 HydrophobicContact CB-CH2 4.04Å; L114-W237 HydrophobicContact CB-CZ3 3.77Å; L114-W237 HydrophobicContact CD2-CH2 3.79Å; L114-W237 HydrophobicContact CD2-CZ3 3.97Å; T115-W237 CarbonylContact C-O 3.47Å; T115-W237 WeakPolarHBondContact CA-O 3.46Å; T115-W237 WeakPolarHBondContact CB-O 3.34Å; T115-W237 PolarHBondContact OG1-O 2.81Å; T116-W237 PolarHBondContact N-O 2.85Å; T116-W237 PolarHBondContact O-N 2.65Å; K182-W237 HydrophobicContact CD-CZ3 4.31Å; L235-W237 WeakPolarHBondContact CD1-O 3.45Å; W237-L239 HydrophobicContact CH2-CB 4.5Å; W237-L239 HydrophobicContact CH2-CD2 3.99Å; W237-L239 HydrophobicContact CZ2-CB 3.87Å; W237-L239 HydrophobicContact CZ2-CD2 3.46Å; W237-L239 VanDerWaalsContact CZ2-CD2 3.46Å; W237-L239 HydrophobicContact CZ2-CG 4.29Å; W237-E250 WeakPolarHBondContact CZ3-OE1 3.28Å |
| 238 | M | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 123.2 | 173.1 | -168.2 | 175.9 | -73.2 | 0 | 0 | 110.6 | L59 I60 F113 L114 I130 W131 L220 L235 | L59-M238 HydrophobicContact CB-CB 4Å; L59-M238 HydrophobicContact CB-CG 3.82Å; L59-M238 HydrophobicContact CB-SD 3.94Å; L59-M238 HydrophobicContact CD2-CG 3.85Å; L59-M238 HydrophobicContact CD2-SD 3.54Å; L59-M238 VanDerWaalsContact CD2-SD 3.54Å; L59-M238 HydrophobicContact CG-CG 4.35Å; L59-M238 HydrophobicContact CG-SD 4.38Å; L59-M238 PolarHBondContact N-O 3.44Å; I60-M238 HydrophobicContact CG1-CB 4.45Å; F113-M238 HydrophobicContact CE2-CG 3.85Å; F113-M238 HydrophobicContact CE2-SD 4.01Å; F113-M238 HydrophobicContact CZ-CE 4.1Å; F113-M238 HydrophobicContact CZ-CG 3.92Å; F113-M238 HydrophobicContact CZ-SD 4.04Å; L114-M238 CarbonylContact O-C 3.55Å; L114-M238 WeakPolarHBondContact O-CA 3.47Å; I130-M238 HydrophobicContact CD1-CE 4.49Å; I130-M238 HydrophobicContact CG1-CE 3.92Å; W131-M238 HydrophobicContact CB-SD 4.21Å; L220-M238 HydrophobicContact CD2-CE 4.11Å; L220-M238 HydrophobicContact CD2-SD 3.6Å; L220-M238 VanDerWaalsContact CD2-SD 3.6Å; L235-M238 HydrophobicContact CD1-CB 4.24Å; L235-M238 HydrophobicContact CD1-CE 3.79Å; L235-M238 HydrophobicContact CD2-CB 4.42Å; L235-M238 HydrophobicContact CD2-CE 4.03Å |
| 239 | L | 95.5 | Very high | 95.2 | Very high | 16 Ų | 16 | 34 Ų | 34 | 8% | 0.084 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 135.6 | -173.2 | 173.8 | 66.8 | 0 | 0 | 0 | 110.1 | F57 F113 L114 W237 H241 | F57-L239 WeakPolarHBondContact O-CA 3.46Å; F57-L239 WeakPolarHBondContact O-CD1 3.5Å; F113-L239 WeakPolarHBondContact CA-O 3.31Å; L114-L239 HydrophobicContact CB-CB 4.41Å; L114-L239 HydrophobicContact CD1-CD2 4.34Å; L114-L239 HydrophobicContact CD1-CG 4.48Å; L114-L239 PolarHBondContact N-O 2.83Å; L114-L239 PolarHBondContact O-N 2.87Å; W237-L239 HydrophobicContact CH2-CB 4.5Å; W237-L239 HydrophobicContact CH2-CD2 3.99Å; W237-L239 HydrophobicContact CZ2-CB 3.87Å; W237-L239 HydrophobicContact CZ2-CD2 3.46Å; W237-L239 VanDerWaalsContact CZ2-CD2 3.46Å; W237-L239 HydrophobicContact CZ2-CG 4.29Å; L239-H241 HydrophobicContact CD2-CB 4.31Å; L239-H241 HydrophobicContact CG-CB 4.33Å |
| 240 | I | 95.4 | Very high | 95.3 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 124 | 160.1 | -70.3 | 174.1 | 0 | 0 | 0 | 107.7 | G56 F57 L59 Y103 Y111 S112 F113 W131 | G56-I240 CarbonylContact C-O 3.56Å; G56-I240 WeakPolarHBondContact CA-O 3.3Å; F57-I240 HydrophobicContact CD2-CG2 4.49Å; F57-I240 PolarHBondContact N-O 2.71Å; F57-I240 PolarHBondContact O-N 3.08Å; L59-I240 HydrophobicContact CD1-CB 4.1Å; L59-I240 HydrophobicContact CD1-CD1 4.05Å; L59-I240 HydrophobicContact CD1-CG1 3.86Å; L59-I240 HydrophobicContact CD2-CD1 4.17Å; L59-I240 HydrophobicContact CD2-CG1 4.47Å; Y103-I240 WeakPolarHBondContact OH-CD1 3.43Å; Y111-I240 HydrophobicContact CD2-CG2 4.19Å; S112-I240 CarbonylContact O-C 3.59Å; S112-I240 WeakPolarHBondContact O-CA 3.47Å; F113-I240 HydrophobicContact CD2-CD1 4.3Å; F113-I240 HydrophobicContact CD2-CG1 3.81Å; W131-I240 HydrophobicContact CH2-CD1 3.87Å; W131-I240 HydrophobicContact CZ2-CD1 3.53Å |
| 241 | H | 94.7 | Very high | 95.3 | Very high | 13 Ų | 13 | 35.6 Ų | 35.6 | 6% | 0.06 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 139.1 | -177 | -163.5 | -85.7 | 0 | 0 | 0 | 110.3 | L54 Y111 S112 L114 L239 D243 R246 | L54-H241 PolarHBondContact O-CE1 3.03Å; L54-H241 PolarHBondContact O-NE2 2.99Å; Y111-H241 CarbonylContact C-O 3.52Å; Y111-H241 VanDerWaalsContact CA-O 3.28Å; Y111-H241 WeakPolarHBondContact CA-O 3.15Å; Y111-H241 WeakPolarHBondContact CB-O 3.41Å; S112-H241 PolarHBondContact N-O 3.01Å; S112-H241 PolarHBondContact O-N 2.9Å; L114-H241 HydrophobicContact CD1-CB 4.34Å; L239-H241 HydrophobicContact CD2-CB 4.31Å; L239-H241 HydrophobicContact CG-CB 4.33Å; H241-D243 VanDerWaalsContact ND1-CB 3.27Å; H241-D243 WeakPolarHBondContact ND1-CB 3.27Å; H241-D243 PolarHBondContact ND1-N 2.79Å; H241-D243 PolarHBondContact O-N 3.2Å; H241-R246 HydrophobicContact CB-CB 4.2Å; H241-R246 HydrophobicContact CB-CG 4.02Å |
| 242 | C | 93 | Very high | 95.3 | Very high | 6 Ų | 6 | 36.8 Ų | 36.8 | 4% | 0.041 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -69 | -22.8 | -178.1 | -72.1 | 0 | 0 | 0 | 0 | 113.5 | C44 L54 P55 P244 | C44-C242 WeakPolarHBondContact CA-SG 3.49Å; C44-C242 HydrophobicContact CB-CB 3.57Å; C44-C242 WeakPolarHBondContact CB-SG 3.46Å; C44-C242 WeakPolarHBondContact SG-CA 3.18Å; C44-C242 WeakPolarHBondContact SG-CB 3.28Å; C44-C242 CovalentContact SG-SG 2.02Å; C44-C242 PolarHBondContact SG-SG 2.81Å; L54-C242 HydrophobicContact CB-CB 3.88Å; L54-C242 HydrophobicContact CD1-CB 4.34Å; L54-C242 HydrophobicContact CD2-CB 4.3Å; L54-C242 HydrophobicContact CG-CB 4.4Å; P55-C242 HydrophobicContact CG-CB 4.44Å; P55-C242 WeakPolarHBondContact O-CB 3.32Å; P55-C242 PolarHBondContact O-N 3.48Å; P55-C242 PolarHBondContact O-SG 2.84Å; P55-C242 VanDerWaalsContact O-SG 3.35Å; C242-P244 WeakPolarHBondContact O-CD 3.44Å |
| 243 | D | 93 | Very high | 95.2 | Very high | 29 Ų | 29 | 42.5 Ų | 42.5 | 16% | 0.155 | 20% | 0.195 | C | C | . | . | trans | -79.9 | 115.8 | 171 | -172.8 | -14.4 | 0 | 0 | 0 | 111.4 | L54 S112 H241 L245 R246 R249 | L54-D243 HydrophobicContact CB-CB 4.36Å; L54-D243 HydrophobicContact CD1-CB 3.88Å; S112-D243 WeakPolarHBondContact CB-O 3.07Å; S112-D243 PolarHBondContact OG-O 2.96Å; H241-D243 VanDerWaalsContact ND1-CB 3.27Å; H241-D243 WeakPolarHBondContact ND1-CB 3.27Å; H241-D243 PolarHBondContact ND1-N 2.79Å; H241-D243 PolarHBondContact O-N 3.2Å; D243-L245 PolarHBondContact O-N 2.95Å; D243-L245 WeakPolarHBondContact OD1-CA 3.32Å; D243-L245 WeakPolarHBondContact OD1-CB 3.24Å; D243-L245 PolarHBondContact OD1-N 2.73Å; D243-R246 HydrophobicContact CB-CB 4.24Å; D243-R246 VanDerWaalsContact O-CB 3.29Å; D243-R246 WeakPolarHBondContact O-CB 2.98Å; D243-R246 PolarHBondContact O-N 2.89Å; D243-R249 IonicContact OD2-CZ 3.84Å; D243-R249 IonicContact OD2-NH1 3.93Å; D243-R249 PolarHBondContact OD2-NH1 3.23Å; D243-R249 IonicContact OD2-NH2 2.93Å; D243-R249 PolarHBondContact OD2-NH2 2.93Å | ||
| 244 | P | 94.9 | Very high | 95 | Very high | 18 Ų | 18 | 44 Ų | 44 | 12% | 0.117 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -21.6 | 176.8 | 31.2 | -37.6 | 0 | 0 | 0 | 113.1 | E110 G186 E188 C242 P247 | E110-P244 HydrophobicContact CB-CB 4.32Å; E110-P244 HydrophobicContact CB-CG 4.03Å; G186-P244 WeakPolarHBondContact CA-O 3.44Å; E188-P244 HydrophobicContact CG-CB 3.97Å; E188-P244 HydrophobicContact CG-CG 4.36Å; C242-P244 WeakPolarHBondContact O-CD 3.44Å; P244-P247 VanDerWaalsContact O-CD 3.3Å; P244-P247 WeakPolarHBondContact O-CD 3.45Å |
| 245 | L | 95.1 | Very high | 94.7 | Very high | 69 Ų | 69 | 43.9 Ų | 43.9 | 36% | 0.361 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -0 | 179.3 | -55.1 | -178.4 | 0 | 0 | 0 | 112.9 | D243 P247 R248 | D243-L245 PolarHBondContact O-N 2.95Å; D243-L245 WeakPolarHBondContact OD1-CA 3.32Å; D243-L245 WeakPolarHBondContact OD1-CB 3.24Å; D243-L245 PolarHBondContact OD1-N 2.73Å; L245-P247 VanDerWaalsContact O-N 3.14Å; L245-R248 WeakPolarHBondContact O-CB 3.22Å; L245-R248 PolarHBondContact O-N 2.91Å |
| 246 | R | 94.8 | Very high | 93.8 | Very high | 44 Ų | 44 | 47 Ų | 47 | 17% | 0.166 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -48.4 | -36.3 | 174.4 | -177.9 | 62.1 | -172.9 | 70.6 | 4.5 | 114.3 | S112 L114 H241 D243 R248 R249 E250 | S112-R246 WeakPolarHBondContact OG-CB 3.32Å; L114-R246 HydrophobicContact CD1-CG 4.21Å; L114-R246 HydrophobicContact CD2-CG 4.25Å; H241-R246 HydrophobicContact CB-CB 4.2Å; H241-R246 HydrophobicContact CB-CG 4.02Å; D243-R246 HydrophobicContact CB-CB 4.24Å; D243-R246 VanDerWaalsContact O-CB 3.29Å; D243-R246 WeakPolarHBondContact O-CB 2.98Å; D243-R246 PolarHBondContact O-N 2.89Å; R246-R248 VanDerWaalsContact C-N 3.25Å; R246-R248 PolarHBondContact O-N 2.77Å; R246-R249 WeakPolarHBondContact O-CG 3.45Å; R246-R249 PolarHBondContact O-N 2.97Å; R246-E250 IonicContact CZ-OE2 3.5Å; R246-E250 IonicContact NH1-OE2 3.88Å; R246-E250 PolarHBondContact NH1-OE2 2.85Å; R246-E250 IonicContact NH2-OE2 2.63Å; R246-E250 PolarHBondContact NH2-OE2 2.82Å |
| 247 | P | 96.6 | Very high | 92.1 | Very high | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.019 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -61.6 | -27.9 | 175.5 | -27.1 | 38.2 | 0 | 0 | 0 | 114.4 | M184 F195 P244 L245 R249 E250 | M184-P247 HydrophobicContact CB-CB 3.77Å; M184-P247 HydrophobicContact CB-CG 3.89Å; M184-P247 HydrophobicContact CG-CB 4.46Å; M184-P247 HydrophobicContact SD-CB 3.88Å; F195-P247 HydrophobicContact CD2-CB 3.6Å; F195-P247 HydrophobicContact CD2-CG 4.36Å; F195-P247 HydrophobicContact CE2-CB 3.77Å; F195-P247 HydrophobicContact CE2-CG 4.43Å; F195-P247 HydrophobicContact CG-CB 4.06Å; F195-P247 HydrophobicContact CZ-CB 4.34Å; P244-P247 VanDerWaalsContact O-CD 3.3Å; P244-P247 WeakPolarHBondContact O-CD 3.45Å; L245-P247 VanDerWaalsContact O-N 3.14Å; P247-R249 VanDerWaalsContact C-N 3.27Å; P247-R249 PolarHBondContact O-N 2.94Å; P247-E250 PolarHBondContact O-N 2.64Å |
| 248 | R | 94.9 | Very high | 90.5 | Very high | 184 Ų | 184 | 52.7 Ų | 52.7 | 69% | 0.694 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -70.5 | -23.1 | -177.9 | -61.5 | -179.1 | 68.4 | -163.4 | 1.3 | 113.3 | F195 L245 R246 | F195-R248 HydrophobicContact CE1-CG 4.29Å; F195-R248 HydrophobicContact CZ-CG 3.93Å; L245-R248 WeakPolarHBondContact O-CB 3.22Å; L245-R248 PolarHBondContact O-N 2.91Å; R246-R248 VanDerWaalsContact C-N 3.25Å; R246-R248 PolarHBondContact O-N 2.77Å |
| 249 | R | 93.5 | Very high | 88 | Confident | 106 Ų | 106 | 61.1 Ų | 61.1 | 40% | 0.4 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -103.7 | 6.2 | 177.1 | 63.4 | 173.6 | 175.5 | -83 | 13.1 | 113.3 | D53 D243 R246 P247 | D53-R249 IonicContact OD1-CZ 3.02Å; D53-R249 IonicContact OD1-NE 2.74Å; D53-R249 IonicContact OD1-NH2 2.65Å; D53-R249 PolarHBondContact OD1-NH2 3.44Å; D243-R249 IonicContact OD2-CZ 3.84Å; D243-R249 IonicContact OD2-NH1 3.93Å; D243-R249 PolarHBondContact OD2-NH1 3.23Å; D243-R249 IonicContact OD2-NH2 2.93Å; D243-R249 PolarHBondContact OD2-NH2 2.93Å; R246-R249 WeakPolarHBondContact O-CG 3.45Å; R246-R249 PolarHBondContact O-N 2.97Å; P247-R249 VanDerWaalsContact C-N 3.27Å; P247-R249 PolarHBondContact O-N 2.94Å |
| 250 | E | 94.4 | Very high | 85.4 | Confident | 32 Ų | 32 | 64.3 Ų | 64.3 | 15% | 0.15 | 33% | 0.329 | C | S | . | . | trans | -80.5 | 140.5 | 177.4 | -171.1 | 61.6 | -168.2 | 0 | 0 | 110.7 | L114 K182 M184 W237 R246 P247 | L114-E250 HydrophobicContact CD2-CB 4.47Å; L114-E250 HydrophobicContact CD2-CG 4.32Å; K182-E250 HydrophobicContact CD-CG 3.78Å; K182-E250 IonicContact NZ-OE1 3.61Å; K182-E250 PolarHBondContact NZ-OE1 2.83Å; M184-E250 HydrophobicContact CE-CB 4.23Å; M184-E250 HydrophobicContact CE-CG 4.28Å; M184-E250 HydrophobicContact SD-CB 3.56Å; M184-E250 VanDerWaalsContact SD-CB 3.56Å; M184-E250 HydrophobicContact SD-CG 3.57Å; M184-E250 VanDerWaalsContact SD-CG 3.57Å; W237-E250 WeakPolarHBondContact CZ3-OE1 3.28Å; R246-E250 IonicContact CZ-OE2 3.5Å; R246-E250 IonicContact NH1-OE2 3.88Å; R246-E250 PolarHBondContact NH1-OE2 2.85Å; R246-E250 IonicContact NH2-OE2 2.63Å; R246-E250 PolarHBondContact NH2-OE2 2.82Å; P247-E250 PolarHBondContact O-N 2.64Å | ||
| 251 | T | 93.8 | Very high | 82.9 | Confident | 75 Ų | 75 | 70.2 Ų | 70.2 | 46% | 0.46 | 37% | 0.368 | S | S | . | . | trans | -113.2 | 158.9 | 174.2 | 71.6 | 0 | 0 | 0 | 0 | 110.6 | K182 C198 H253 | K182-T251 PolarHBondContact NZ-O 2.83Å; C198-T251 PolarHBondContact SG-O 2.87Å; T251-H253 VanDerWaalsContact CB-ND1 3.27Å; T251-H253 WeakPolarHBondContact CB-ND1 3.5Å; T251-H253 PolarHBondContact OG1-ND1 2.65Å | ||
| 252 | C | 94.8 | Very high | 80.2 | Confident | 27 Ų | 27 | 73.3 Ų | 73.3 | 18% | 0.182 | 39% | 0.39 | C | S | . | . | trans | -121.5 | 29.8 | -175 | -77 | 0 | 0 | 0 | 0 | 112.2 | C198 E254 L255 | C198-C252 HydrophobicContact CB-CB 3.81Å; C198-C252 WeakPolarHBondContact CB-SG 3.19Å; C198-C252 PolarHBondContact N-SG 2.74Å; C198-C252 VanDerWaalsContact SG-CA 3.59Å; C198-C252 WeakPolarHBondContact SG-CB 3.3Å; C198-C252 PolarHBondContact SG-N 3.05Å; C198-C252 CovalentContact SG-SG 2.04Å; C198-C252 PolarHBondContact SG-SG 2.78Å; C252-E254 VanDerWaalsContact C-OE2 3.31Å; C252-E254 WeakPolarHBondContact CA-OE2 3.39Å; C252-E254 PolarHBondContact O-N 2.93Å; C252-E254 VanDerWaalsContact O-N 3.16Å; C252-L255 HydrophobicContact CB-CD1 3.88Å; C252-L255 HydrophobicContact CB-CG 4.16Å; C252-L255 WeakPolarHBondContact O-CB 3.04Å; C252-L255 PolarHBondContact O-N 3.13Å | ||
| 253 | H | 92.3 | Very high | 77.8 | Confident | 169 Ų | 169 | 82.1 Ų | 82.1 | 78% | 0.782 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -22.7 | -179.8 | -63.9 | 100.6 | 0 | 0 | 0 | 113.3 | T251 | T251-H253 VanDerWaalsContact CB-ND1 3.27Å; T251-H253 WeakPolarHBondContact CB-ND1 3.5Å; T251-H253 PolarHBondContact OG1-ND1 2.65Å |
| 254 | E | 91.9 | Very high | 75.2 | Confident | 39 Ų | 39 | 84.8 Ų | 84.8 | 18% | 0.182 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -15.9 | 177.2 | 79.5 | -82.8 | -152.8 | 0 | 0 | 113.6 | S80 Q84 K182 C252 | S80-E254 CarbonylContact C-O 3.55Å; S80-E254 VanDerWaalsContact CB-O 3.28Å; S80-E254 WeakPolarHBondContact CB-O 3.47Å; S80-E254 PolarHBondContact OG-O 2.76Å; Q84-E254 HydrophobicContact CG-CB 4.39Å; K182-E254 WeakPolarHBondContact CE-OE1 3.32Å; K182-E254 IonicContact NZ-OE1 2.61Å; K182-E254 PolarHBondContact NZ-OE1 3.35Å; K182-E254 IonicContact NZ-OE2 3Å; K182-E254 PolarHBondContact NZ-OE2 2.82Å; C252-E254 VanDerWaalsContact C-OE2 3.31Å; C252-E254 WeakPolarHBondContact CA-OE2 3.39Å; C252-E254 PolarHBondContact O-N 2.93Å; C252-E254 VanDerWaalsContact O-N 3.16Å |
| 255 | L | 92.1 | Very high | 72.6 | Confident | 18 Ų | 18 | 90.7 Ų | 90.7 | 9% | 0.094 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -76.3 | 138.1 | 175.3 | -61.2 | -176.3 | 0 | 0 | 0 | 109.4 | T116 W180 K182 D197 C252 A257 | T116-L255 HydrophobicContact CG2-CD2 4.11Å; W180-L255 HydrophobicContact CB-CD2 4.05Å; K182-L255 HydrophobicContact CB-CD1 4.12Å; D197-L255 HydrophobicContact CB-CD1 4.01Å; D197-L255 WeakPolarHBondContact OD1-CD1 3.41Å; C252-L255 HydrophobicContact CB-CD1 3.88Å; C252-L255 HydrophobicContact CB-CG 4.16Å; C252-L255 WeakPolarHBondContact O-CB 3.04Å; C252-L255 PolarHBondContact O-N 3.13Å; L255-A257 PolarHBondContact O-N 3.17Å |
| 256 | P | 77.9 | Confident | 70 | Confident | 66 Ų | 66 | 93.7 Ų | 93.7 | 43% | 0.429 | 50% | 0.501 | S | S | . | . | trans | -53.5 | 133.9 | 175.5 | -23.2 | 31.4 | 0 | 0 | 0 | 111 | S80 R258 | S80-P256 WeakPolarHBondContact O-CD 3.37Å; S80-P256 WeakPolarHBondContact O-CG 3.43Å; P256-R258 PolarHBondContact O-N 3.5Å | ||
| 257 | A | 60.8 | Low | 67.7 | Low | 105 Ų | 105 | 101.2 Ų | 101.2 | 87% | 0.868 | 54% | 0.538 | S | S | * | . | trans | -56.4 | 111.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110 | L255 | L255-A257 PolarHBondContact O-N 3.17Š| ||
| 258 | R | 63.7 | Low | 65.1 | Low | 86 Ų | 86 | 111.8 Ų | 111.8 | 33% | 0.325 | 58% | 0.577 | S | S | . | * | trans | -77.3 | 123.9 | 174.1 | -71.3 | 178.5 | -176.3 | -101.2 | -13.8 | 108.7 | D177 W180 H181 D197 P256 T260 | D177-R258 IonicContact OD1-NH2 3.83Å; D177-R258 IonicContact OD2-CZ 2.76Å; D177-R258 IonicContact OD2-NH1 3.74Å; D177-R258 PolarHBondContact OD2-NH1 3.1Å; D177-R258 IonicContact OD2-NH2 2.68Å; D177-R258 PolarHBondContact OD2-NH2 3.47Å; W180-R258 PolarHBondContact O-NH2 3.34Å; H181-R258 PolarHBondContact CE1-NH2 2.94Å; H181-R258 PolarHBondContact ND1-NH2 3.03Å; H181-R258 PolarHBondContact NE2-NH2 3.39Å; D197-R258 IonicContact OD2-CZ 3.93Å; D197-R258 IonicContact OD2-NE 3.32Å; D197-R258 IonicContact OD2-NH2 3.92Å; P256-R258 PolarHBondContact O-N 3.5Å; R258-T260 HydrophobicContact CB-CG2 4.36Å; R258-T260 WeakPolarHBondContact CB-OG1 3.49Å; R258-T260 PolarHBondContact O-N 3.11Å; R258-T260 VanDerWaalsContact O-N 3.07Å | ||
| 259 | I | 45.7 | Very low | 63 | Low | 176 Ų | 176 | 105.5 Ų | 105.5 | 90% | 0.903 | 57% | 0.57 | S | S | * | * | trans | -79.3 | 74.4 | 153.9 | -53 | 172.8 | 0 | 0 | 0 | 105.7 | ||||
| 260 | T | 41 | Very low | 60.8 | Low | 83 Ų | 83 | 105.8 Ų | 105.8 | 51% | 0.509 | 59% | 0.586 | S | S | . | * | trans | -93 | 129.3 | 164.9 | 22.3 | 0 | 0 | 0 | 0 | 107.7 | R258 S262 | R258-T260 HydrophobicContact CB-CG2 4.36Å; R258-T260 WeakPolarHBondContact CB-OG1 3.49Å; R258-T260 PolarHBondContact O-N 3.11Å; R258-T260 VanDerWaalsContact O-N 3.07Å; T260-S262 PolarHBondContact O-N 3.42Å | ||
| 261 | P | 42.3 | Very low | 59.1 | Low | 127 Ų | 127 | 110.4 Ų | 110.4 | 83% | 0.825 | 62% | 0.619 | S | S | * | * | trans | -69.3 | 79.8 | 164.2 | 29.9 | -29.7 | 0 | 0 | 0 | 106.6 | Q263 | P261-Q263 PolarHBondContact O-N 3.48Å; P261-Q263 VanDerWaalsContact O-N 3.11Å | ||
| 262 | S | 37.8 | Very low | 57 | Low | 77 Ų | 77 | 109.6 Ų | 109.6 | 54% | 0.538 | 63% | 0.625 | S | S | . | * | trans | -67.3 | 114.7 | 175.7 | 50.8 | 0 | 0 | 0 | 0 | 107.7 | T260 T264 | T260-S262 PolarHBondContact O-N 3.42Å; S262-T264 PolarHBondContact O-N 3.07Å; S262-T264 PolarHBondContact O-OG1 3.27Å | ||
| 263 | Q | 42.9 | Very low | 55.2 | Low | 191 Ų | 191 | 116.5 Ų | 116.5 | 89% | 0.893 | 66% | 0.655 | S | S | * | * | trans | -38.3 | 87.8 | 132.2 | -73.1 | 177.6 | -26.4 | 0 | 0 | 108.2 | P261 T265 | P261-Q263 PolarHBondContact O-N 3.48Å; P261-Q263 VanDerWaalsContact O-N 3.11Å; Q263-T265 VanDerWaalsContact C-N 3.35Å; Q263-T265 PolarHBondContact O-N 3.31Å | ||
| 264 | T | 37.5 | Very low | 53.9 | Low | 85 Ų | 85 | 117.7 Ų | 117.7 | 52% | 0.521 | 66% | 0.661 | S | S | . | * | trans | -86.5 | 93.1 | 154.5 | 30.7 | 0 | 0 | 0 | 0 | 103.1 | S262 D266 | S262-T264 PolarHBondContact O-N 3.07Å; S262-T264 PolarHBondContact O-OG1 3.27Å; T264-D266 PolarHBondContact O-N 2.91Å; T264-D266 VanDerWaalsContact O-N 3.1Å | ||
| 265 | T | 40 | Very low | 52.2 | Low | 143 Ų | 143 | 118.5 Ų | 118.5 | 88% | 0.877 | 68% | 0.679 | S | S | * | * | trans | -73.6 | 62 | 141.9 | 51.7 | 0 | 0 | 0 | 0 | 106.9 | Q263 | Q263-T265 VanDerWaalsContact C-N 3.35Å; Q263-T265 PolarHBondContact O-N 3.31Å | ||
| 266 | D | 42 | Very low | 50.8 | Low | 131 Ų | 131 | 123.3 Ų | 123.3 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -100.1 | 123.8 | 136.5 | -105 | -28 | 0 | 0 | 0 | 102.3 | T264 R268 | T264-D266 PolarHBondContact O-N 2.91Å; T264-D266 VanDerWaalsContact O-N 3.1Å; D266-R268 VanDerWaalsContact C-N 3.27Å; D266-R268 PolarHBondContact O-N 3.37Å |
| 267 | E | 45.2 | Very low | 50.7 | Low | 203 Ų | 203 | 126.4 Ų | 126.4 | 95% | 0.949 | 73% | 0.731 | S | S | * | * | trans | -55 | 94.1 | 172.8 | -78.9 | -173.7 | 118.2 | 0 | 0 | 109.4 | G269 | E267-G269 PolarHBondContact O-N 3.21Š| ||
| 268 | R | 43.3 | Very low | 50.7 | Low | 224 Ų | 224 | 124.3 Ų | 124.3 | 85% | 0.845 | 72% | 0.72 | S | S | * | * | trans | -73.5 | 108.9 | 164.3 | -174.5 | -177.2 | -66.5 | -135.4 | -0.8 | 106 | D266 | D266-R268 VanDerWaalsContact C-N 3.27Å; D266-R268 PolarHBondContact O-N 3.37Å | ||
| 269 | G | 50.3 | Low | 50.8 | Low | 52 Ų | 52 | 126 Ų | 126 | 54% | 0.536 | 74% | 0.742 | S | S | . | * | P | Polyproline II helix | trans | -52 | 153.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | E267 | E267-G269 PolarHBondContact O-N 3.21Š|
| 270 | P | 47.8 | Very low | 52.3 | Low | 113 Ų | 113 | 123.6 Ų | 123.6 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 149.8 | -173.9 | 23.9 | -32.7 | 0 | 0 | 0 | 112 | G272 | P270-G272 PolarHBondContact O-N 3.36Š|
| 271 | P | 57 | Low | 53.3 | Low | 129 Ų | 129 | 122.6 Ų | 122.6 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 130.7 | 175.2 | -20.5 | 31.3 | 0 | 0 | 0 | 110.9 | ||
| 272 | G | 51.5 | Low | 54.3 | Low | 58 Ų | 58 | 122.3 Ų | 122.3 | 60% | 0.598 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 150.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | P270 | P270-G272 PolarHBondContact O-N 3.36Š|
| 273 | E | 56.7 | Low | 56.1 | Low | 172 Ų | 172 | 124.6 Ų | 124.6 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 142.8 | -178.9 | -70.5 | -168.1 | 155.4 | 0 | 0 | 111.2 | G275 | E273-G275 PolarHBondContact O-N 3.31Å; E273-G275 VanDerWaalsContact O-N 3.07Å |
| 274 | Q | 63.8 | Low | 57 | Low | 194 Ų | 194 | 118.8 Ų | 118.8 | 91% | 0.907 | 75% | 0.747 | S | S | * | * | trans | -63.3 | 113.7 | 178.3 | -172.3 | 173.6 | 16.6 | 0 | 0 | 109 | ||||
| 275 | G | 57.4 | Low | 58 | Low | 55 Ų | 55 | 121.4 Ų | 121.4 | 57% | 0.567 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 150.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E273 | E273-G275 PolarHBondContact O-N 3.31Å; E273-G275 VanDerWaalsContact O-N 3.07Å |
| 276 | P | 61.9 | Low | 59.5 | Low | 120 Ų | 120 | 120.4 Ų | 120.4 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 146 | -175.5 | 22.8 | -32.7 | 0 | 0 | 0 | 111.3 | G278 | P276-G278 PolarHBondContact O-N 2.86Š|
| 277 | P | 75.4 | Confident | 60.2 | Low | 130 Ų | 130 | 117.2 Ų | 117.2 | 84% | 0.844 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 127.2 | 176.8 | -24 | 32.4 | 0 | 0 | 0 | 110.3 | ||
| 278 | G | 60.7 | Low | 60.5 | Low | 61 Ų | 61 | 115.8 Ų | 115.8 | 63% | 0.629 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 144.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | P276 | P276-G278 PolarHBondContact O-N 2.86Š|
| 279 | P | 65.9 | Low | 61.5 | Low | 121 Ų | 121 | 112.7 Ų | 112.7 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -55 | 141.7 | 179.5 | 22.7 | -32.2 | 0 | 0 | 0 | 110.1 | G281 | P279-G281 PolarHBondContact O-N 2.88Š|
| 280 | P | 77.9 | Confident | 61.5 | Low | 127 Ų | 127 | 113.3 Ų | 113.3 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 130 | 176.8 | -25.3 | 33 | 0 | 0 | 0 | 110.2 | ||
| 281 | G | 62.5 | Low | 61.9 | Low | 62 Ų | 62 | 116.5 Ų | 116.5 | 64% | 0.639 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 144.3 | 180 | 0 | 0 | 0 | 0 | 0 | 110.9 | P279 | P279-G281 PolarHBondContact O-N 2.88Š|
| 282 | P | 63.6 | Low | 62.2 | Low | 120 Ų | 120 | 117.9 Ų | 117.9 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 139 | 179.1 | 22.8 | -31.9 | 0 | 0 | 0 | 109.6 | G284 | P282-G284 PolarHBondContact O-N 3.28Š|
| 283 | P | 74.4 | Confident | 62.2 | Low | 125 Ų | 125 | 118.7 Ų | 118.7 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -52 | 132.9 | 175.1 | -23.2 | 31.5 | 0 | 0 | 0 | 109.8 | V285 | P283-V285 PolarHBondContact O-N 2.79Š|
| 284 | G | 61.2 | Low | 61.9 | Low | 69 Ų | 69 | 119 Ų | 119 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 132.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | P282 P286 | P282-G284 PolarHBondContact O-N 3.28Å; G284-P286 WeakPolarHBondContact O-CD 3.35Å |
| 285 | V | 60.5 | Low | 61.8 | Low | 141 Ų | 141 | 121.5 Ų | 121.5 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 124.2 | 173.8 | -88.3 | 0 | 0 | 0 | 0 | 109 | P283 G287 | P283-V285 PolarHBondContact O-N 2.79Å; V285-G287 PolarHBondContact O-N 2.76Å |
| 286 | P | 70 | Confident | 61.8 | Low | 122 Ų | 122 | 122 Ų | 122 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -54 | 138.7 | 172.6 | -25 | 34.2 | 0 | 0 | 0 | 110 | G284 I288 | G284-P286 WeakPolarHBondContact O-CD 3.35Å; P286-I288 PolarHBondContact O-N 2.99Å |
| 287 | G | 56.4 | Low | 61.3 | Low | 63 Ų | 63 | 123 Ų | 123 | 65% | 0.649 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 138.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | V285 D289 | V285-G287 PolarHBondContact O-N 2.76Å; G287-D289 PolarHBondContact O-N 3.44Å; G287-D289 VanDerWaalsContact O-N 3.1Å |
| 288 | I | 53.2 | Low | 60.7 | Low | 174 Ų | 174 | 126.8 Ų | 126.8 | 89% | 0.892 | 80% | 0.8 | S | S | * | * | trans | -65.6 | 107.6 | 173.2 | 43.3 | 163.7 | 0 | 0 | 0 | 109.2 | P286 | P286-I288 PolarHBondContact O-N 2.99Š| ||
| 289 | D | 62.7 | Low | 60.7 | Low | 158 Ų | 158 | 126.6 Ų | 126.6 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | -66.2 | 149.6 | 167.5 | -68.9 | -35 | 0 | 0 | 0 | 110 | G287 | G287-D289 PolarHBondContact O-N 3.44Å; G287-D289 VanDerWaalsContact O-N 3.1Å | ||
| 290 | G | 50.7 | Low | 60.3 | Low | 66 Ų | 66 | 127.1 Ų | 127.1 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | trans | -57.3 | 142.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D292 | G290-D292 PolarHBondContact O-N 2.78Š| ||
| 291 | I | 56 | Low | 59.8 | Low | 180 Ų | 180 | 127 Ų | 127 | 92% | 0.923 | 80% | 0.801 | S | S | * | * | trans | -61.6 | 94.3 | 174.4 | 23.5 | 170.2 | 0 | 0 | 0 | 110.5 | ||||
| 292 | D | 62.8 | Low | 59.8 | Low | 158 Ų | 158 | 127 Ų | 127 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | -86.9 | 139.2 | 162.9 | -82.7 | -20.8 | 0 | 0 | 0 | 110.2 | G290 | G290-D292 PolarHBondContact O-N 2.78Š| ||
| 293 | G | 53.3 | Low | 59.7 | Low | 74 Ų | 74 | 127.4 Ų | 127.4 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | trans | -62.5 | 151.1 | -166.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | R295 | G293-R295 PolarHBondContact O-N 2.04Š| ||
| 294 | D | 50.4 | Low | 59.5 | Low | 179 Ų | 179 | 127.6 Ų | 127.6 | 96% | 0.957 | 81% | 0.805 | S | S | * | * | trans | -51.6 | 114.3 | -173.4 | -65.8 | -43.9 | 0 | 0 | 0 | 113.7 | ||||
| 295 | R | 60.2 | Low | 59.7 | Low | 247 Ų | 247 | 127.4 Ų | 127.4 | 93% | 0.932 | 80% | 0.803 | S | S | * | * | trans | -107.7 | 128.4 | 167.3 | -153.1 | 175.6 | -173.7 | -177.9 | 2.6 | 109.4 | G293 | G293-R295 PolarHBondContact O-N 2.04Š| ||
| 296 | G | 57.9 | Low | 59.8 | Low | 64 Ų | 64 | 127.2 Ų | 127.2 | 66% | 0.66 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 163.8 | -165.8 | 0 | 0 | 0 | 0 | 0 | 117 | K298 | G296-K298 PolarHBondContact O-N 3.24Š|
| 297 | P | 52.3 | Low | 59.3 | Low | 142 Ų | 142 | 126.2 Ų | 126.2 | 92% | 0.922 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 127 | -164.4 | 27.7 | -34 | 0 | 0 | 0 | 112.5 | ||
| 298 | K | 61.3 | Low | 59.5 | Low | 209 Ų | 209 | 126.7 Ų | 126.7 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 134.2 | 168.6 | -162.7 | 175.7 | -178 | -177.7 | 0 | 109.1 | G296 | G296-K298 PolarHBondContact O-N 3.24Š|
| 299 | G | 60.5 | Low | 59.6 | Low | 57 Ų | 57 | 127.7 Ų | 127.7 | 59% | 0.588 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 162.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | P301 | G299-P301 WeakPolarHBondContact O-CD 3.47Š|
| 300 | P | 57.5 | Low | 59.8 | Low | 132 Ų | 132 | 126.2 Ų | 126.2 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 127.7 | -169 | 27 | -33.1 | 0 | 0 | 0 | 112.4 | ||
| 301 | P | 68.4 | Low | 60.2 | Low | 125 Ų | 125 | 126.5 Ų | 126.5 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 143.2 | 166.1 | -16.2 | 31.4 | 0 | 0 | 0 | 111.6 | G299 | G299-P301 WeakPolarHBondContact O-CD 3.47Š|
| 302 | G | 62.2 | Low | 60.1 | Low | 62 Ų | 62 | 127.8 Ų | 127.8 | 64% | 0.639 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 162.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 303 | P | 62.1 | Low | 60 | Low | 128 Ų | 128 | 126.6 Ų | 126.6 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 132.3 | -171.7 | 26.4 | -33.1 | 0 | 0 | 0 | 112.3 | ||
| 304 | P | 70.6 | Confident | 60.1 | Low | 130 Ų | 130 | 126.5 Ų | 126.5 | 84% | 0.844 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 140.2 | 171.9 | -19.8 | 32.2 | 0 | 0 | 0 | 112.3 | ||
| 305 | G | 65.1 | Low | 60.1 | Low | 65 Ų | 65 | 122.7 Ų | 122.7 | 67% | 0.67 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 159.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 306 | P | 62.8 | Low | 60.1 | Low | 136 Ų | 136 | 117.3 Ų | 117.3 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 135.3 | -173.3 | 26.7 | -33.1 | 0 | 0 | 0 | 112.1 | ||
| 307 | A | 58.9 | Low | 59.8 | Low | 102 Ų | 102 | 117.9 Ų | 117.9 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 132.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 308 | G | 60.8 | Low | 59.7 | Low | 72 Ų | 72 | 120.7 Ų | 120.7 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 148.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 309 | E | 56.2 | Low | 59.4 | Low | 195 Ų | 195 | 117.3 Ų | 117.3 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -64 | 129.9 | -176.4 | -67.6 | -175 | 159.4 | 0 | 0 | 112.7 | ||
| 310 | P | 64.9 | Low | 58.7 | Low | 128 Ų | 128 | 118.1 Ų | 118.1 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 130.6 | 175.1 | -20.8 | 32.9 | 0 | 0 | 0 | 113 | ||
| 311 | G | 59.7 | Low | 58.2 | Low | 71 Ų | 71 | 118.4 Ų | 118.4 | 73% | 0.732 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 147.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 312 | K | 54.9 | Low | 57.4 | Low | 208 Ų | 208 | 119 Ų | 119 | 90% | 0.904 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 132.5 | -176.6 | -64.5 | -178.1 | -179.9 | -177.7 | 0 | 112.1 | ||
| 313 | P | 60.3 | Low | 56.8 | Low | 133 Ų | 133 | 119.8 Ų | 119.8 | 86% | 0.864 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 136.4 | 177.1 | -21.5 | 33.1 | 0 | 0 | 0 | 113.4 | ||
| 314 | G | 55.3 | Low | 55.8 | Low | 72 Ų | 72 | 118.6 Ų | 118.6 | 74% | 0.742 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 156.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 315 | A | 50.8 | Low | 54.8 | Low | 99 Ų | 99 | 120.8 Ų | 120.8 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 141.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | G317 | A315-G317 PolarHBondContact O-N 3.5Š|
| 316 | P | 58.7 | Low | 53.9 | Low | 134 Ų | 134 | 120.9 Ų | 120.9 | 87% | 0.87 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 130.2 | -179.9 | -19.4 | 31.7 | 0 | 0 | 0 | 113.3 | ||
| 317 | G | 52.6 | Low | 52.8 | Low | 76 Ų | 76 | 123 Ų | 123 | 78% | 0.784 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 150.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A315 | A315-G317 PolarHBondContact O-N 3.5Š|
| 318 | K | 50.1 | Low | 52.7 | Low | 201 Ų | 201 | 125.5 Ų | 125.5 | 87% | 0.874 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 151.2 | -177.5 | -64.6 | -179.2 | 179.4 | -178.3 | 0 | 112.3 | ||
| 319 | P | 56 | Low | 52 | Low | 137 Ų | 137 | 125.1 Ų | 125.1 | 89% | 0.89 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 131.1 | -172.9 | -11.3 | 27 | 0 | 0 | 0 | 112.2 | ||
| 320 | G | 44.7 | Very low | 51.6 | Low | 74 Ų | 74 | 122.1 Ų | 122.1 | 76% | 0.763 | 83% | 0.834 | S | S | * | * | trans | -109.9 | 146.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 321 | T | 47.7 | Very low | 51.1 | Low | 139 Ų | 139 | 124.1 Ų | 124.1 | 85% | 0.853 | 84% | 0.837 | S | S | * | * | trans | -64.6 | 144.9 | -167.6 | 46 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 322 | P | 52 | Low | 50.1 | Low | 137 Ų | 137 | 124.6 Ų | 124.6 | 89% | 0.89 | 84% | 0.842 | S | S | * | * | trans | -76.6 | 142.4 | 178 | -12.6 | 28.4 | 0 | 0 | 0 | 114.1 | ||||
| 323 | G | 48.9 | Very low | 49.6 | Very low | 78 Ų | 78 | 119.8 Ų | 119.8 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | trans | 148.7 | 107 | 150.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 324 | A | 40.4 | Very low | 49.5 | Very low | 104 Ų | 104 | 119.5 Ų | 119.5 | 86% | 0.86 | 83% | 0.833 | S | S | * | * | trans | 169.3 | 115.7 | 131 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 325 | D | 49.3 | Very low | 49 | Very low | 175 Ų | 175 | 119.1 Ų | 119.1 | 94% | 0.936 | 83% | 0.829 | S | S | * | * | trans | -79.4 | 149.3 | 172.8 | -74 | -36.5 | 0 | 0 | 0 | 112.1 | ||||
| 326 | G | 47.7 | Very low | 48.8 | Very low | 67 Ų | 67 | 119.9 Ų | 119.9 | 69% | 0.691 | 83% | 0.829 | S | S | * | * | trans | 121.5 | 114.1 | 143.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 327 | L | 39.3 | Very low | 48.3 | Very low | 181 Ų | 181 | 120.2 Ų | 120.2 | 95% | 0.948 | 83% | 0.828 | S | S | * | * | 170.3 | 113.4 | 110.1 | -83.9 | 173.5 | 0 | 0 | 0 | 109.1 | |||||
| 328 | T | 57.3 | Low | 48 | Very low | 155 Ų | 155 | 119.7 Ų | 119.7 | 95% | 0.951 | 82% | 0.823 | S | S | * | * | trans | -82.8 | 137.4 | 171.3 | -53.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 329 | G | 44.7 | Very low | 48.3 | Very low | 63 Ų | 63 | 116 Ų | 116 | 65% | 0.649 | 82% | 0.819 | S | S | * | * | trans | 175 | 164.5 | 155 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 330 | P | 47.5 | Very low | 47.8 | Very low | 132 Ų | 132 | 117.6 Ų | 117.6 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | cis | -121 | 163.4 | -34.6 | 33.9 | -18.5 | 0 | 0 | 0 | 111.8 | ||||
| 331 | D | 54.5 | Low | 47.9 | Very low | 170 Ų | 170 | 118 Ų | 118 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | trans | -64.5 | 145.5 | 176.6 | -72.7 | -34.3 | 0 | 0 | 0 | 113.7 | ||||
| 332 | G | 40.3 | Very low | 47.7 | Very low | 81 Ų | 81 | 118.9 Ų | 118.9 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | -121.3 | 105.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 333 | S | 42.5 | Very low | 47.3 | Very low | 108 Ų | 108 | 122.6 Ų | 122.6 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | trans | -100.3 | -166.7 | 171.2 | 60.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 334 | P | 59.8 | Low | 47 | Very low | 126 Ų | 126 | 122.2 Ų | 122.2 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | cis | -135.3 | -169.9 | -42.1 | 27.2 | -4.7 | 0 | 0 | 0 | 111.5 | ||||
| 335 | G | 43.5 | Very low | 47.3 | Very low | 64 Ų | 64 | 126.3 Ų | 126.3 | 66% | 0.66 | 81% | 0.81 | S | S | * | * | trans | 177.9 | 92.5 | 150.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 336 | S | 48.1 | Very low | 47.7 | Very low | 116 Ų | 116 | 123.9 Ų | 123.9 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | 68.6 | 122 | 86 | 72.9 | 0 | 0 | 0 | 0 | 112 | |||||
| 337 | V | 48 | Very low | 47.4 | Very low | 141 Ų | 141 | 124 Ų | 124 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | -176.8 | 136.1 | 78.5 | 163.5 | 0 | 0 | 0 | 0 | 104.3 | |||||
| 338 | G | 45.1 | Very low | 47.7 | Very low | 65 Ų | 65 | 122.1 Ų | 122.1 | 67% | 0.67 | 80% | 0.801 | S | S | * | * | 125.8 | 174.9 | 57.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 339 | P | 56.2 | Low | 47.7 | Very low | 122 Ų | 122 | 121 Ų | 121 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | -127.5 | 166.1 | -97.4 | 39.3 | -29.1 | 0 | 0 | 0 | 116.8 | |||||
| 340 | K | 46.2 | Very low | 47.6 | Very low | 172 Ų | 172 | 121.6 Ų | 121.6 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | 91.5 | 124.7 | 134.1 | -119.1 | 178.5 | -178.1 | -179.6 | 0 | 121.6 | ||||
| 341 | G | 46.4 | Very low | 47.5 | Very low | 82 Ų | 82 | 121.1 Ų | 121.1 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | -164.6 | 114.5 | 144.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 342 | Q | 44.7 | Very low | 47.5 | Very low | 158 Ų | 158 | 123.9 Ų | 123.9 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | trans | -100.9 | 158.5 | -167 | -79.9 | 177.3 | -12.9 | 0 | 0 | 114.2 | ||||
| 343 | K | 42.4 | Very low | 47.7 | Very low | 215 Ų | 215 | 123.3 Ų | 123.3 | 94% | 0.935 | 79% | 0.794 | S | S | * | * | trans | 110 | 129.2 | 144.7 | -150.3 | 175.8 | -168.5 | -175.5 | 0 | 115 | ||||
| 344 | G | 42.6 | Very low | 47.8 | Very low | 70 Ų | 70 | 127.7 Ų | 127.7 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | cis | -151.1 | 158.3 | 15.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 345 | E | 47.8 | Very low | 47.5 | Very low | 189 Ų | 189 | 127.2 Ų | 127.2 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -94.5 | -170.1 | 167.5 | -52.5 | 175 | 135.1 | 0 | 0 | 109.3 | ||||
| 346 | P | 57 | Low | 47.6 | Very low | 125 Ų | 125 | 128 Ų | 128 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | cis | -140.9 | 175.8 | -12.9 | 15.9 | 11 | 0 | 0 | 0 | 115.3 | ||||
| 347 | G | 40.7 | Very low | 47.9 | Very low | 70 Ų | 70 | 135 Ų | 135 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | trans | 157.4 | 132.5 | 142.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 348 | V | 46.3 | Very low | 47.9 | Very low | 141 Ų | 141 | 131.7 Ų | 131.7 | 86% | 0.855 | 81% | 0.809 | S | S | * | * | cis | -151.8 | 144.8 | 7.7 | 177.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 349 | P | 57.9 | Low | 48.1 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 84% | 0.844 | 82% | 0.818 | S | S | * | * | trans | -89.8 | 156.8 | -179.1 | 1.7 | 18 | 0 | 0 | 0 | 114.7 | ||||
| 350 | G | 42.6 | Very low | 47.9 | Very low | 76 Ų | 76 | 136.5 Ų | 136.5 | 78% | 0.784 | 82% | 0.817 | S | S | * | * | trans | 165.3 | 136.8 | 154.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 351 | S | 45.3 | Very low | 48.5 | Very low | 122 Ų | 122 | 131.1 Ų | 131.1 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | cis | -160.4 | 140.2 | -5.1 | 44.4 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 352 | R | 53.7 | Low | 49.4 | Very low | 228 Ų | 228 | 133.1 Ų | 133.1 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 128.6 | -178.3 | -172.9 | 178.3 | -175.3 | 171.9 | 2.3 | 111.3 | ||
| 353 | G | 46.1 | Very low | 50.5 | Low | 69 Ų | 69 | 132 Ų | 132 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 141.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 354 | F | 43.5 | Very low | 51.3 | Low | 200 Ų | 200 | 124.6 Ų | 124.6 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 157.4 | -170.6 | -84.8 | -90.6 | 0 | 0 | 0 | 114.8 | ||
| 355 | P | 53.8 | Low | 52.4 | Low | 116 Ų | 116 | 127 Ų | 127 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 136.4 | -172.1 | 33.2 | -30.8 | 0 | 0 | 0 | 112.9 | ||
| 356 | G | 45.7 | Very low | 53.5 | Low | 82 Ų | 82 | 124.3 Ų | 124.3 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | -105.6 | 125.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 357 | R | 53.6 | Low | 53.4 | Low | 262 Ų | 262 | 121.7 Ų | 121.7 | 99% | 0.989 | 80% | 0.797 | S | S | * | * | trans | -86.6 | 126.1 | 179.9 | -161.1 | -180 | -174.6 | -156.9 | 1.8 | 108.8 | ||||
| 358 | G | 48.1 | Very low | 54.2 | Low | 72 Ų | 72 | 125.1 Ų | 125.1 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | trans | -161.2 | 134.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 359 | I | 50.5 | Low | 54.5 | Low | 168 Ų | 168 | 123 Ų | 123 | 86% | 0.862 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -69 | 152 | -168.6 | -69.3 | 165.8 | 0 | 0 | 0 | 111.8 | ||
| 360 | P | 50.7 | Low | 53.9 | Low | 120 Ų | 120 | 120 Ų | 120 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 133 | -166.3 | -21.7 | 35 | 0 | 0 | 0 | 115.1 | ||
| 361 | G | 60.4 | Low | 54.4 | Low | 59 Ų | 59 | 124.7 Ų | 124.7 | 61% | 0.608 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -80 | 162.6 | 160.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 362 | P | 64.6 | Low | 55.1 | Low | 124 Ų | 124 | 124.8 Ų | 124.8 | 81% | 0.805 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 144.1 | 179 | 23 | -33.4 | 0 | 0 | 0 | 111.7 | G364 | P362-G364 PolarHBondContact O-N 2.63Å; P362-G364 VanDerWaalsContact O-N 3.13Å |
| 363 | P | 67.8 | Low | 55.1 | Low | 135 Ų | 135 | 117.4 Ų | 117.4 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 122 | 174 | -25.3 | 33.1 | 0 | 0 | 0 | 110.8 | ||
| 364 | G | 59.9 | Low | 55.5 | Low | 59 Ų | 59 | 123.8 Ų | 123.8 | 61% | 0.608 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 157.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | P362 | P362-G364 PolarHBondContact O-N 2.63Å; P362-G364 VanDerWaalsContact O-N 3.13Å |
| 365 | P | 65.4 | Low | 55.8 | Low | 121 Ų | 121 | 122.6 Ų | 122.6 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 146 | 174.1 | 24.7 | -33.6 | 0 | 0 | 0 | 110.5 | G367 | P365-G367 PolarHBondContact O-N 2.91Š|
| 366 | P | 69.1 | Low | 55.9 | Low | 131 Ų | 131 | 120.1 Ų | 120.1 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 128.8 | 171.1 | -24.9 | 32.6 | 0 | 0 | 0 | 110.4 | ||
| 367 | G | 55.8 | Low | 56.2 | Low | 70 Ų | 70 | 128.3 Ų | 128.3 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 143.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | P365 A369 | P365-G367 PolarHBondContact O-N 2.91Å; G367-A369 PolarHBondContact O-N 2.79Å |
| 368 | T | 56.6 | Low | 56.4 | Low | 143 Ų | 143 | 122.6 Ų | 122.6 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 127.3 | 168 | 49.8 | 0 | 0 | 0 | 0 | 109.4 | G370 | T368-G370 PolarHBondContact O-N 2.88Š|
| 369 | A | 52.6 | Low | 57 | Low | 97 Ų | 97 | 121.7 Ų | 121.7 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -51 | 137.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | G367 | G367-A369 PolarHBondContact O-N 2.79Š|
| 370 | G | 47.2 | Very low | 57.5 | Low | 67 Ų | 67 | 120.2 Ų | 120.2 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 144.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T368 P372 | T368-G370 PolarHBondContact O-N 2.88Å; G370-P372 WeakPolarHBondContact O-CD 3.36Å |
| 371 | L | 51.9 | Low | 58.1 | Low | 174 Ų | 174 | 121.3 Ų | 121.3 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 124.2 | 173.6 | -72.1 | 164.2 | 0 | 0 | 0 | 109.7 | ||
| 372 | P | 59.4 | Low | 57.8 | Low | 123 Ų | 123 | 121.6 Ų | 121.6 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 138.5 | 167.5 | -18.5 | 31 | 0 | 0 | 0 | 109.9 | G370 | G370-P372 WeakPolarHBondContact O-CD 3.36Š|
| 373 | G | 53.4 | Low | 57.4 | Low | 73 Ų | 73 | 123.3 Ų | 123.3 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 150.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L375 | G373-L375 PolarHBondContact O-N 2.99Å; G373-L375 VanDerWaalsContact O-N 3.08Å |
| 374 | E | 55.6 | Low | 57.1 | Low | 204 Ų | 204 | 122.8 Ų | 122.8 | 95% | 0.953 | 80% | 0.799 | S | S | * | * | trans | -55.5 | 111.8 | 178.6 | -79.1 | -174.9 | 136.8 | 0 | 0 | 111.6 | ||||
| 375 | L | 49.1 | Very low | 57 | Low | 175 Ų | 175 | 123.7 Ų | 123.7 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 130.3 | 165.3 | -160.3 | 79.6 | 0 | 0 | 0 | 108.6 | G373 | G373-L375 PolarHBondContact O-N 2.99Å; G373-L375 VanDerWaalsContact O-N 3.08Å |
| 376 | G | 57 | Low | 56.6 | Low | 63 Ų | 63 | 130 Ų | 130 | 65% | 0.649 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 146.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | V378 | G376-V378 PolarHBondContact O-N 2.76Š|
| 377 | R | 51.4 | Low | 56.2 | Low | 254 Ų | 254 | 135.4 Ų | 135.4 | 96% | 0.958 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 116.4 | -179.9 | -68.1 | -176.9 | 179.6 | -167.3 | -0 | 111.5 | ||
| 378 | V | 58.2 | Low | 56.3 | Low | 143 Ų | 143 | 135.3 Ų | 135.3 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 135.4 | 165.6 | 179.8 | 0 | 0 | 0 | 0 | 109 | G376 | G376-V378 PolarHBondContact O-N 2.76Š|
| 379 | G | 59.5 | Low | 56.3 | Low | 53 Ų | 53 | 140.1 Ų | 140.1 | 55% | 0.546 | 82% | 0.82 | S | S | . | * | P | Polyproline II helix | trans | -62.8 | 161.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | V381 | G379-V381 PolarHBondContact O-N 3.28Š|
| 380 | P | 62.3 | Low | 56.9 | Low | 136 Ų | 136 | 141.7 Ų | 141.7 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -63 | 136.9 | -175.3 | 25.3 | -32.7 | 0 | 0 | 0 | 112.1 | ||
| 381 | V | 62.1 | Low | 57.3 | Low | 143 Ų | 143 | 141.6 Ų | 141.6 | 87% | 0.867 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 130.9 | 175.1 | 175 | 0 | 0 | 0 | 0 | 109.6 | G379 | G379-V381 PolarHBondContact O-N 3.28Š|
| 382 | G | 55.9 | Low | 57.4 | Low | 65 Ų | 65 | 139.2 Ų | 139.2 | 67% | 0.67 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 147.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 383 | D | 55.8 | Low | 57.7 | Low | 161 Ų | 161 | 139.4 Ų | 139.4 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 135.8 | -175 | -72.4 | -49.3 | 0 | 0 | 0 | 113.3 | G385 | D383-G385 PolarHBondContact O-N 3.16Š|
| 384 | P | 61.8 | Low | 57.7 | Low | 124 Ų | 124 | 139 Ų | 139 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 131.9 | 175.7 | -22.1 | 32.4 | 0 | 0 | 0 | 112.8 | ||
| 385 | G | 57.4 | Low | 57.7 | Low | 77 Ų | 77 | 135 Ų | 135 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 141.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | D383 R387 | D383-G385 PolarHBondContact O-N 3.16Å; G385-R387 PolarHBondContact O-N 2.9Å |
| 386 | R | 56.1 | Low | 58.4 | Low | 253 Ų | 253 | 132.8 Ų | 132.8 | 96% | 0.955 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 132.3 | -179.1 | -75.9 | -175.6 | 174.3 | -125.5 | 0.7 | 111.7 | ||
| 387 | R | 61.5 | Low | 58.2 | Low | 246 Ų | 246 | 132.8 Ų | 132.8 | 93% | 0.928 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 133.1 | 177.8 | -143.4 | -179.6 | -62.5 | -153.9 | 1.7 | 110.8 | G385 | G385-R387 PolarHBondContact O-N 2.9Š|
| 388 | G | 56.8 | Low | 58.2 | Low | 68 Ų | 68 | 126.9 Ų | 126.9 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 150.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 389 | R | 57.1 | Low | 58.2 | Low | 244 Ų | 244 | 125.9 Ų | 125.9 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 142.9 | -179.5 | -65.9 | -176.3 | -178.5 | -147.1 | 0.9 | 110.7 | ||
| 390 | P | 64.6 | Low | 57.6 | Low | 130 Ų | 130 | 126.9 Ų | 126.9 | 84% | 0.844 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 138.8 | 173.7 | -23 | 33.1 | 0 | 0 | 0 | 111.5 | ||
| 391 | G | 56.8 | Low | 56.6 | Low | 65 Ų | 65 | 127.2 Ų | 127.2 | 67% | 0.67 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 149.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 392 | P | 53.3 | Low | 55.8 | Low | 123 Ų | 123 | 128 Ų | 128 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 150.1 | -179.4 | 25.8 | -33 | 0 | 0 | 0 | 111.6 | ||
| 393 | P | 65.4 | Low | 54.9 | Low | 128 Ų | 128 | 127.7 Ų | 127.7 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 141.6 | 175.2 | -21.3 | 32 | 0 | 0 | 0 | 111.6 | ||
| 394 | G | 54.5 | Low | 54.2 | Low | 63 Ų | 63 | 130 Ų | 130 | 65% | 0.649 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 149.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 395 | P | 54.5 | Low | 53.2 | Low | 122 Ų | 122 | 132 Ų | 132 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 148.9 | -177.8 | 25.4 | -33.1 | 0 | 0 | 0 | 111.7 | ||
| 396 | P | 64.9 | Low | 52.3 | Low | 127 Ų | 127 | 136.6 Ų | 136.6 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 140.7 | 174.5 | -20.6 | 31.1 | 0 | 0 | 0 | 111.3 | ||
| 397 | G | 53.2 | Low | 51.5 | Low | 63 Ų | 63 | 127.8 Ų | 127.8 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 150.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 398 | P | 51.4 | Low | 50.5 | Low | 131 Ų | 131 | 123.5 Ų | 123.5 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 140.4 | -176.4 | 25.1 | -32.9 | 0 | 0 | 0 | 111.6 | ||
| 399 | S | 58.2 | Low | 50.4 | Low | 122 Ų | 122 | 125.1 Ų | 125.1 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 135.5 | 176.5 | -58 | 0 | 0 | 0 | 0 | 111.2 | ||
| 400 | G | 45.8 | Very low | 49.5 | Very low | 73 Ų | 73 | 121.4 Ų | 121.4 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 139.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I402 | G400-I402 PolarHBondContact O-N 3Š|
| 401 | T | 41 | Very low | 48.2 | Very low | 144 Ų | 144 | 120.8 Ų | 120.8 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 129.4 | 177.1 | 41.9 | 0 | 0 | 0 | 0 | 111.5 | G403 | T401-G403 PolarHBondContact O-N 2.84Š|
| 402 | I | 46.4 | Very low | 48.1 | Very low | 158 Ų | 158 | 122.9 Ų | 122.9 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 118.8 | 171.4 | -63.8 | 166.7 | 0 | 0 | 0 | 108.4 | G400 | G400-I402 PolarHBondContact O-N 3Š|
| 403 | G | 36.9 | Very low | 47.7 | Very low | 60 Ų | 60 | 124.6 Ų | 124.6 | 62% | 0.619 | 79% | 0.788 | S | S | * | * | trans | -79.3 | 114.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | T401 | T401-G403 PolarHBondContact O-N 2.84Š| ||
| 404 | F | 40 | Very low | 46.6 | Very low | 208 Ų | 208 | 123.3 Ų | 123.3 | 91% | 0.912 | 79% | 0.788 | S | S | * | * | trans | -77.6 | 133.3 | 162 | -110.4 | -96 | 0 | 0 | 0 | 109 | ||||
| 405 | H | 40.7 | Very low | 45.9 | Very low | 168 Ų | 168 | 126.3 Ų | 126.3 | 78% | 0.778 | 80% | 0.798 | S | S | * | * | trans | -85.1 | 158.6 | -177.4 | -80.9 | -94.1 | 0 | 0 | 0 | 112.6 | ||||
| 406 | D | 40.1 | Very low | 45.7 | Very low | 172 Ų | 172 | 125.9 Ų | 125.9 | 92% | 0.92 | 80% | 0.795 | S | S | * | * | trans | -144.2 | 106.3 | 138.1 | -95.4 | -40.6 | 0 | 0 | 0 | 111.2 | ||||
| 407 | G | 37.8 | Very low | 45.2 | Very low | 69 Ų | 69 | 125.9 Ų | 125.9 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | 68.2 | 133.1 | 152.8 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 408 | D | 41.4 | Very low | 45 | Very low | 156 Ų | 156 | 126.3 Ų | 126.3 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | cis | -173.9 | -178.7 | -11.1 | -145 | 3.6 | 0 | 0 | 0 | 106 | ||||
| 409 | P | 53.8 | Low | 44.8 | Very low | 101 Ų | 101 | 131.2 Ų | 131.2 | 66% | 0.656 | 80% | 0.801 | S | S | * | * | -106.1 | 167.6 | -90.3 | 32.1 | -14.6 | 0 | 0 | 0 | 113 | |||||
| 410 | L | 39 | Very low | 44.5 | Very low | 166 Ų | 166 | 130.9 Ų | 130.9 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | trans | 173.6 | 94.6 | 141.5 | -90.8 | 166.1 | 0 | 0 | 0 | 111.3 | ||||
| 411 | C | 37 | Very low | 44.6 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | 139.4 | 126.4 | 128.5 | -79 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 412 | P | 53.8 | Low | 44.9 | Very low | 110 Ų | 110 | 133.8 Ų | 133.8 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | trans | -94.9 | 154.3 | -177.3 | 38.5 | -33.4 | 0 | 0 | 0 | 112.6 | ||||
| 413 | N | 45.9 | Very low | 45.4 | Very low | 159 Ų | 159 | 132 Ų | 132 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | S | Bend | trans | 80.6 | 106 | 163 | -55.8 | -26.8 | 0 | 0 | 0 | 118.7 | ||
| 414 | A | 43 | Very low | 46 | Very low | 100 Ų | 100 | 132.5 Ų | 132.5 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | trans | 67.1 | 92.3 | 156.4 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 415 | C | 39.2 | Very low | 46.3 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 138.2 | 152.4 | -67.1 | 0 | 0 | 0 | 0 | 109.9 | ||
| 416 | P | 50.9 | Low | 47 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 150.1 | 177.2 | 28 | -32.8 | 0 | 0 | 0 | 110.6 | G418 | P416-G418 PolarHBondContact O-N 2.91Š|
| 417 | P | 53.7 | Low | 47.5 | Very low | 128 Ų | 128 | 123.4 Ų | 123.4 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 126.6 | 174.3 | 20.3 | -29.1 | 0 | 0 | 0 | 109.8 | ||
| 418 | G | 49.6 | Very low | 47.7 | Very low | 72 Ų | 72 | 128.2 Ų | 128.2 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 140 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | P416 S420 | P416-G418 PolarHBondContact O-N 2.91Å; G418-S420 PolarHBondContact O-N 3.31Å |
| 419 | R | 47.2 | Very low | 48.2 | Very low | 233 Ų | 233 | 132.2 Ų | 132.2 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -46.1 | 128.3 | 179.4 | -77.7 | -179.4 | 167 | -166.4 | -3.7 | 110.4 | G421 | R419-G421 PolarHBondContact O-N 3.01Š|
| 420 | S | 50.7 | Low | 48.1 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 128.4 | 168.5 | 30.2 | 0 | 0 | 0 | 0 | 109.6 | G418 | G418-S420 PolarHBondContact O-N 3.31Š|
| 421 | G | 48.9 | Very low | 48 | Very low | 68 Ų | 68 | 130.9 Ų | 130.9 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 140.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | R419 | R419-G421 PolarHBondContact O-N 3.01Š|
| 422 | Y | 47.4 | Very low | 48.4 | Very low | 210 Ų | 210 | 135.2 Ų | 135.2 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 137.6 | 175.7 | -72.1 | -87.3 | 0 | 0 | 0 | 110.5 | G424 | Y422-G424 PolarHBondContact O-N 2.95Š|
| 423 | P | 55.8 | Low | 48.4 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 130.7 | 168.7 | -21.2 | 30.7 | 0 | 0 | 0 | 109.2 | L425 | P423-L425 PolarHBondContact O-N 3.14Š|
| 424 | G | 50.8 | Low | 48.3 | Very low | 71 Ų | 71 | 130.5 Ų | 130.5 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 134.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y422 | Y422-G424 PolarHBondContact O-N 2.95Š|
| 425 | L | 45.6 | Very low | 48.4 | Very low | 164 Ų | 164 | 135.2 Ų | 135.2 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 131.1 | 176 | -75.2 | 163.1 | 0 | 0 | 0 | 109.4 | P423 G427 | P423-L425 PolarHBondContact O-N 3.14Å; L425-G427 PolarHBondContact O-N 3.02Å; L425-G427 VanDerWaalsContact O-N 3.09Å |
| 426 | P | 55.3 | Low | 49 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 122.1 | 173.6 | -24.8 | 32.9 | 0 | 0 | 0 | 109.2 | M428 | P426-M428 PolarHBondContact O-N 3.01Š|
| 427 | G | 50.4 | Low | 48.8 | Very low | 73 Ų | 73 | 136.2 Ų | 136.2 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 125.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | L425 R429 | L425-G427 PolarHBondContact O-N 3.02Å; L425-G427 VanDerWaalsContact O-N 3.09Å; G427-R429 PolarHBondContact O-N 3.15Å; G427-R429 VanDerWaalsContact O-N 3.1Å |
| 428 | M | 41.8 | Very low | 48.4 | Very low | 169 Ų | 169 | 138.1 Ų | 138.1 | 83% | 0.833 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 122.6 | 178.2 | -70.3 | -176.6 | 66.8 | 0 | 0 | 108.8 | P426 G430 | P426-M428 PolarHBondContact O-N 3.01Å; M428-G430 PolarHBondContact O-N 2.75Å; M428-G430 VanDerWaalsContact O-N 3.13Å |
| 429 | R | 52 | Low | 48.1 | Very low | 241 Ų | 241 | 137.9 Ų | 137.9 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 119.5 | 175.5 | -158.9 | -178.4 | -64 | -148 | 1.9 | 107.2 | G427 H431 | G427-R429 PolarHBondContact O-N 3.15Å; G427-R429 VanDerWaalsContact O-N 3.1Å; R429-H431 PolarHBondContact O-N 3Å |
| 430 | G | 52.1 | Low | 48.1 | Very low | 66 Ų | 66 | 134.8 Ų | 134.8 | 68% | 0.68 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 133.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | M428 K432 | M428-G430 PolarHBondContact O-N 2.75Å; M428-G430 VanDerWaalsContact O-N 3.13Å; G430-K432 PolarHBondContact O-N 3.45Å |
| 431 | H | 37.8 | Very low | 48.3 | Very low | 173 Ų | 173 | 135.3 Ų | 135.3 | 80% | 0.801 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 129.4 | 177.1 | -57.4 | -83.8 | 0 | 0 | 0 | 109.6 | R429 G433 | R429-H431 PolarHBondContact O-N 3Å; H431-G433 PolarHBondContact O-N 3.22Å; H431-G433 VanDerWaalsContact O-N 3.11Å |
| 432 | K | 44.8 | Very low | 47.9 | Very low | 208 Ų | 208 | 136 Ų | 136 | 90% | 0.904 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 118.3 | 172.1 | -167.5 | 178.8 | -175.1 | -176.4 | 0 | 107 | G430 A434 | G430-K432 PolarHBondContact O-N 3.45Å; K432-A434 PolarHBondContact O-N 3.1Å |
| 433 | G | 53.9 | Low | 47.5 | Very low | 67 Ų | 67 | 136.6 Ų | 136.6 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 134.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110 | H431 K435 | H431-G433 PolarHBondContact O-N 3.22Å; H431-G433 VanDerWaalsContact O-N 3.11Å; G433-K435 PolarHBondContact O-N 3.06Å |
| 434 | A | 42.6 | Very low | 47.2 | Very low | 102 Ų | 102 | 139.9 Ų | 139.9 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 138 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | K432 G436 | K432-A434 PolarHBondContact O-N 3.1Å; A434-G436 PolarHBondContact O-N 3.46Å |
| 435 | K | 46.2 | Very low | 46.7 | Very low | 200 Ų | 200 | 140 Ų | 140 | 87% | 0.87 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 124.4 | 172.2 | -177.1 | -178.5 | 178 | -173.2 | 0 | 107.5 | G433 E437 | G433-K435 PolarHBondContact O-N 3.06Å; K435-E437 PolarHBondContact O-N 3.16Å |
| 436 | G | 51.8 | Low | 46.2 | Very low | 70 Ų | 70 | 141 Ų | 141 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -55 | 123.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | A434 | A434-G436 PolarHBondContact O-N 3.46Š|
| 437 | E | 45.6 | Very low | 45.5 | Very low | 189 Ų | 189 | 145.3 Ų | 145.3 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -64 | 140 | 168.1 | -72.9 | 178.9 | 149.6 | 0 | 0 | 108.9 | K435 G439 | K435-E437 PolarHBondContact O-N 3.16Å; E437-G439 PolarHBondContact O-N 3.29Å |
| 438 | I | 45.7 | Very low | 45.1 | Very low | 168 Ų | 168 | 144.8 Ų | 144.8 | 86% | 0.862 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 129.6 | 172 | -71.4 | 165.9 | 0 | 0 | 0 | 107.5 | E440 | I438-E440 PolarHBondContact O-N 3.4Š|
| 439 | G | 43.5 | Very low | 45.3 | Very low | 67 Ų | 67 | 141.6 Ų | 141.6 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 128.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E437 | E437-G439 PolarHBondContact O-N 3.29Š|
| 440 | E | 48.2 | Very low | 44.5 | Very low | 169 Ų | 169 | 139.1 Ų | 139.1 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -63 | 136.2 | 164.8 | -72.9 | -171.9 | 138.6 | 0 | 0 | 109.9 | I438 | I438-E440 PolarHBondContact O-N 3.4Š|
| 441 | P | 53.2 | Low | 43.8 | Very low | 126 Ų | 126 | 139 Ų | 139 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 137.2 | 169.6 | -21.4 | 32.6 | 0 | 0 | 0 | 111.1 | R443 | P441-R443 PolarHBondContact O-N 3.36Š|
| 442 | G | 40.8 | Very low | 43.8 | Very low | 82 Ų | 82 | 139.2 Ų | 139.2 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 128.7 | -162.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 443 | R | 40.7 | Very low | 43.4 | Very low | 222 Ų | 222 | 138.8 Ų | 138.8 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 121.7 | 165.2 | -73.4 | -171.5 | 175.6 | -145.8 | 0.2 | 110.5 | P441 | P441-R443 PolarHBondContact O-N 3.36Š|
| 444 | Q | 48.3 | Very low | 42.8 | Very low | 190 Ų | 190 | 138.8 Ų | 138.8 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 139.1 | 170.2 | -169 | 171.6 | 12.9 | 0 | 0 | 110.2 | ||
| 445 | G | 41.2 | Very low | 42.3 | Very low | 73 Ų | 73 | 143.9 Ų | 143.9 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 153.3 | -159.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 446 | H | 34.4 | Very low | 41.9 | Very low | 184 Ų | 184 | 143 Ų | 143 | 85% | 0.852 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 136.4 | 171.6 | -66 | -93.7 | 0 | 0 | 0 | 110.8 | ||
| 447 | K | 41.3 | Very low | 41.5 | Very low | 213 Ų | 213 | 142.9 Ų | 142.9 | 93% | 0.926 | 81% | 0.809 | S | S | * | * | trans | -119.1 | 105.6 | 176 | -179.1 | -173.7 | -178.8 | -172.8 | 0 | 109.5 | ||||
| 448 | G | 41.6 | Very low | 41 | Very low | 62 Ų | 62 | 142 Ų | 142 | 64% | 0.639 | 81% | 0.805 | S | S | * | * | trans | 53 | 121.5 | 144.9 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 449 | E | 44.7 | Very low | 40.7 | Very low | 101 Ų | 101 | 141.3 Ų | 141.3 | 47% | 0.472 | 81% | 0.809 | S | S | . | * | trans | -106.9 | 137.9 | 161.8 | -76.5 | 167.5 | 126.6 | 0 | 0 | 112.1 | G739 E740 | E449-G739 WeakPolarHBondContact OE1-CA 3.39Å; E449-G739 WeakPolarHBondContact OE2-CA 3.29Å; E449-E740 HydrophobicContact CB-CB 4.31Å; E449-E740 VanDerWaalsContact O-O 3.11Å; E449-E740 PolarHBondContact OE2-N 3.36Å | ||
| 450 | E | 36.2 | Very low | 40.8 | Very low | 189 Ų | 189 | 141.6 Ų | 141.6 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | trans | -167.8 | 135.7 | 148.3 | -171.6 | 172.6 | -168.3 | 0 | 0 | 106.9 | ||||
| 451 | G | 38.3 | Very low | 40.2 | Very low | 64 Ų | 64 | 137.8 Ų | 137.8 | 66% | 0.66 | 81% | 0.809 | S | S | * | * | cis | -171.2 | 170.1 | 1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 452 | D | 37.8 | Very low | 39.6 | Very low | 177 Ų | 177 | 141.3 Ų | 141.3 | 95% | 0.947 | 82% | 0.815 | S | S | * | * | trans | -114.5 | 128.7 | -177.6 | -75.4 | -35.6 | 0 | 0 | 0 | 113.1 | ||||
| 453 | Q | 36.4 | Very low | 39.8 | Very low | 199 Ų | 199 | 140.6 Ų | 140.6 | 93% | 0.93 | 81% | 0.807 | S | S | * | * | trans | -153.6 | 134 | 148 | -171.4 | -179.3 | 10.3 | 0 | 0 | 107 | ||||
| 454 | G | 40.5 | Very low | 39.7 | Very low | 68 Ų | 68 | 136.1 Ų | 136.1 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | cis | -176.4 | 174.4 | -2.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 455 | E | 33 | Very low | 39.7 | Very low | 208 Ų | 208 | 133.5 Ų | 133.5 | 97% | 0.972 | 81% | 0.806 | S | S | * | * | trans | -124.3 | 129.7 | 174.4 | -74 | -167.5 | 144 | 0 | 0 | 112.9 | ||||
| 456 | L | 37.7 | Very low | 39.9 | Very low | 181 Ų | 181 | 133.8 Ų | 133.8 | 95% | 0.948 | 81% | 0.81 | S | S | * | * | trans | -131 | 133.1 | 154.3 | 179.7 | 78.4 | 0 | 0 | 0 | 104 | ||||
| 457 | G | 42.6 | Very low | 40.3 | Very low | 68 Ų | 68 | 130.3 Ų | 130.3 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | cis | -175.5 | 175.8 | -0.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 458 | E | 35.1 | Very low | 40.5 | Very low | 170 Ų | 170 | 129.7 Ų | 129.7 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | trans | -119.2 | 132.8 | 173.6 | -77.6 | -165.9 | 142.8 | 0 | 0 | 112.6 | ||||
| 459 | V | 39.3 | Very low | 40.7 | Very low | 155 Ų | 155 | 130.2 Ų | 130.2 | 94% | 0.939 | 82% | 0.819 | S | S | * | * | trans | -116.3 | 136.9 | 155.4 | 173.8 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 460 | G | 44.7 | Very low | 40.2 | Very low | 73 Ų | 73 | 134.3 Ų | 134.3 | 75% | 0.753 | 84% | 0.843 | S | S | * | * | cis | 172.3 | 136.3 | -2 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 461 | A | 36.3 | Very low | 40.4 | Very low | 88 Ų | 88 | 137.1 Ų | 137.1 | 73% | 0.727 | 85% | 0.845 | S | S | * | * | trans | -101.1 | 139.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 462 | Q | 40.5 | Very low | 40.6 | Very low | 201 Ų | 201 | 137.6 Ų | 137.6 | 94% | 0.939 | 85% | 0.85 | S | S | * | * | trans | -85.6 | 141.8 | 178.5 | -163.5 | 175.5 | 13.2 | 0 | 0 | 111.1 | ||||
| 463 | G | 44.7 | Very low | 40.5 | Very low | 67 Ų | 67 | 137.5 Ų | 137.5 | 69% | 0.691 | 85% | 0.848 | S | S | * | * | trans | -85.9 | 175.3 | -162.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 464 | P | 39.6 | Very low | 40.5 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 83% | 0.831 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 155.6 | -173.8 | 32.7 | -32.7 | 0 | 0 | 0 | 115.4 | ||
| 465 | P | 48.8 | Very low | 40.5 | Very low | 134 Ų | 134 | 135.2 Ų | 135.2 | 87% | 0.87 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 153 | -177.8 | -15.1 | 31.2 | 0 | 0 | 0 | 115.7 | ||
| 466 | G | 44.9 | Very low | 40.6 | Very low | 80 Ų | 80 | 133.3 Ų | 133.3 | 83% | 0.825 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 166.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 467 | A | 42.4 | Very low | 40.7 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 91% | 0.909 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 139.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 468 | Q | 44.7 | Very low | 40.5 | Very low | 200 Ų | 200 | 131.4 Ų | 131.4 | 94% | 0.935 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -98 | 131.4 | 179.9 | -157.9 | 172.5 | -25.6 | 0 | 0 | 110.9 | ||
| 469 | G | 45.7 | Very low | 40.7 | Very low | 74 Ų | 74 | 130.9 Ų | 130.9 | 76% | 0.763 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 157.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 470 | L | 35.6 | Very low | 40.9 | Very low | 187 Ų | 187 | 133.2 Ų | 133.2 | 98% | 0.979 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 123.4 | 176.5 | -74.6 | 164.7 | 0 | 0 | 0 | 111.5 | ||
| 471 | R | 39.6 | Very low | 40.9 | Very low | 248 Ų | 248 | 133.5 Ų | 133.5 | 94% | 0.936 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 140 | 173.5 | -164.6 | 176.5 | -168.7 | 177 | 3.5 | 110 | ||
| 472 | G | 42.9 | Very low | 41.1 | Very low | 74 Ų | 74 | 138.5 Ų | 138.5 | 76% | 0.763 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 168.2 | -167.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 473 | I | 36.7 | Very low | 41.3 | Very low | 174 Ų | 174 | 139 Ų | 139 | 89% | 0.892 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 133.2 | 174.2 | 51.5 | 170.1 | 0 | 0 | 0 | 110.2 | ||
| 474 | T | 34.7 | Very low | 41.3 | Very low | 149 Ų | 149 | 139.3 Ų | 139.3 | 91% | 0.914 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 151.1 | 169.9 | -54.1 | 0 | 0 | 0 | 0 | 108.9 | ||
| 475 | G | 40.5 | Very low | 41.4 | Very low | 70 Ų | 70 | 138.4 Ų | 138.4 | 72% | 0.722 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 163.7 | -156 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 476 | I | 35.6 | Very low | 41.6 | Very low | 169 Ų | 169 | 142.4 Ų | 142.4 | 87% | 0.867 | 85% | 0.854 | S | S | * | * | trans | -123.6 | 121.7 | 159.2 | 48.7 | 171.5 | 0 | 0 | 0 | 109.3 | ||||
| 477 | V | 39.3 | Very low | 41.6 | Very low | 139 Ų | 139 | 141.5 Ų | 141.5 | 84% | 0.842 | 85% | 0.845 | S | S | * | * | trans | 5.4 | 126.6 | 153.8 | -176.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 478 | G | 39.6 | Very low | 41.7 | Very low | 70 Ų | 70 | 145.1 Ų | 145.1 | 72% | 0.722 | 85% | 0.848 | S | S | * | * | trans | -91.5 | 147.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 479 | D | 38 | Very low | 41.7 | Very low | 159 Ų | 159 | 142.2 Ų | 142.2 | 85% | 0.85 | 84% | 0.839 | S | S | * | * | trans | -125.3 | 125.9 | 163.4 | -85.7 | -44.4 | 0 | 0 | 0 | 110.3 | ||||
| 480 | K | 43.2 | Very low | 41.5 | Very low | 203 Ų | 203 | 142 Ų | 142 | 88% | 0.883 | 84% | 0.836 | S | S | * | * | trans | 57.3 | 109.7 | 148.7 | -147 | 172.8 | -175.6 | -178.5 | 0 | 119.5 | ||||
| 481 | G | 45.9 | Very low | 41.8 | Very low | 80 Ų | 80 | 142.5 Ų | 142.5 | 83% | 0.825 | 83% | 0.834 | S | S | * | * | trans | -71.8 | 140 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 482 | E | 39.3 | Very low | 42.5 | Very low | 193 Ų | 193 | 136.8 Ų | 136.8 | 90% | 0.902 | 83% | 0.829 | S | S | * | * | trans | -120.8 | 125.9 | 167.5 | -72.3 | -168.3 | 150.8 | 0 | 0 | 111.2 | ||||
| 483 | K | 46.3 | Very low | 42.6 | Very low | 210 Ų | 210 | 136.4 Ų | 136.4 | 91% | 0.913 | 82% | 0.824 | S | S | * | * | trans | 7 | 132.2 | 157.9 | -133.3 | 167.5 | -176 | 175.1 | 0 | 119.7 | ||||
| 484 | G | 44.9 | Very low | 43.4 | Very low | 74 Ų | 74 | 134.7 Ų | 134.7 | 76% | 0.763 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 154.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | R486 | G484-R486 PolarHBondContact O-N 3.28Š|
| 485 | A | 40.2 | Very low | 44.1 | Very low | 110 Ų | 110 | 137 Ų | 137 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 121 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 486 | R | 54 | Low | 44.6 | Very low | 218 Ų | 218 | 136.9 Ų | 136.9 | 82% | 0.823 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 144.8 | 165.5 | -178.3 | 174.9 | 176.6 | 168.3 | -1.4 | 109.2 | G484 | G484-R486 PolarHBondContact O-N 3.28Š|
| 487 | G | 45 | Very low | 44.5 | Very low | 61 Ų | 61 | 137.1 Ų | 137.1 | 63% | 0.629 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 148.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D489 | G487-D489 PolarHBondContact O-N 3.4Å; G487-D489 VanDerWaalsContact O-N 3.17Å |
| 488 | L | 43.2 | Very low | 44.9 | Very low | 186 Ų | 186 | 136.4 Ų | 136.4 | 97% | 0.974 | 83% | 0.825 | S | S | * | * | trans | -74.4 | 101.3 | 178.1 | -66 | 171.3 | 0 | 0 | 0 | 109.4 | ||||
| 489 | D | 44.7 | Very low | 45.1 | Very low | 139 Ų | 139 | 136.4 Ų | 136.4 | 74% | 0.743 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 146.5 | 164.6 | -73.3 | -38 | 0 | 0 | 0 | 110.1 | G487 | G487-D489 PolarHBondContact O-N 3.4Å; G487-D489 VanDerWaalsContact O-N 3.17Å |
| 490 | G | 43.1 | Very low | 45.1 | Very low | 69 Ų | 69 | 133.6 Ų | 133.6 | 71% | 0.711 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 166.8 | -160.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | P492 | G490-P492 VanDerWaalsContact O-CD 3.28Å; G490-P492 WeakPolarHBondContact O-CD 3.48Å |
| 491 | E | 41.3 | Very low | 45.6 | Very low | 198 Ų | 198 | 130.3 Ų | 130.3 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 121.6 | 178.8 | -61.8 | -132.4 | 130.3 | 0 | 0 | 112 | ||
| 492 | P | 53 | Low | 45.4 | Very low | 128 Ų | 128 | 130.1 Ų | 130.1 | 83% | 0.831 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 131.2 | 170.7 | -18.2 | 33.3 | 0 | 0 | 0 | 111.5 | G490 | G490-P492 VanDerWaalsContact O-CD 3.28Å; G490-P492 WeakPolarHBondContact O-CD 3.48Å |
| 493 | G | 45.7 | Very low | 45.5 | Very low | 65 Ų | 65 | 129.2 Ų | 129.2 | 67% | 0.67 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 161.7 | -173 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q495 | G493-Q495 PolarHBondContact O-N 3.26Š|
| 494 | P | 54.4 | Low | 45.7 | Very low | 138 Ų | 138 | 128.3 Ų | 128.3 | 90% | 0.896 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 122.3 | 171.8 | 27.1 | -31.1 | 0 | 0 | 0 | 111.2 | ||
| 495 | Q | 48 | Very low | 45.7 | Very low | 197 Ų | 197 | 128.3 Ų | 128.3 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 132.7 | 169.2 | -177 | 176.2 | -18.8 | 0 | 0 | 110.2 | G493 | G493-Q495 PolarHBondContact O-N 3.26Š|
| 496 | G | 50.8 | Low | 45.8 | Very low | 69 Ų | 69 | 132.4 Ų | 132.4 | 71% | 0.711 | 82% | 0.822 | S | S | * | * | trans | -89.7 | -178.8 | -166.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 497 | L | 33.5 | Very low | 45.7 | Very low | 174 Ų | 174 | 133.8 Ų | 133.8 | 91% | 0.911 | 83% | 0.827 | S | S | * | * | trans | -121.6 | 148.7 | 166.5 | -78.6 | 173.4 | 0 | 0 | 0 | 112 | ||||
| 498 | P | 49.6 | Very low | 45.8 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 81% | 0.805 | 83% | 0.831 | S | S | * | * | trans | -93.7 | 168.2 | -158.5 | 3.6 | 20.5 | 0 | 0 | 0 | 111 | ||||
| 499 | G | 43.4 | Very low | 45.8 | Very low | 70 Ų | 70 | 131.1 Ų | 131.1 | 72% | 0.722 | 82% | 0.822 | S | S | * | * | cis | 177.3 | 124.7 | -6.7 | 0 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 500 | A | 38.4 | Very low | 45.9 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 83% | 0.826 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 134.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 501 | P | 52.3 | Low | 45.9 | Very low | 133 Ų | 133 | 131 Ų | 131 | 86% | 0.864 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 154.3 | -174.8 | -25.6 | 35.3 | 0 | 0 | 0 | 115.1 | ||
| 502 | G | 42.3 | Very low | 46.2 | Very low | 77 Ų | 77 | 131 Ų | 131 | 79% | 0.794 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -72 | 143.4 | -156.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 503 | D | 42 | Very low | 46.3 | Very low | 173 Ų | 173 | 129.8 Ų | 129.8 | 93% | 0.925 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 141.5 | 156.4 | -85.1 | -29.8 | 0 | 0 | 0 | 110.9 | ||
| 504 | Q | 49.2 | Very low | 46.6 | Very low | 191 Ų | 191 | 130 Ų | 130 | 89% | 0.893 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 134.1 | -168.4 | -166.7 | 175.4 | -3.8 | 0 | 0 | 113 | ||
| 505 | G | 46.4 | Very low | 46.6 | Very low | 75 Ų | 75 | 130 Ų | 130 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 138.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 506 | Q | 41.2 | Very low | 47.1 | Very low | 196 Ų | 196 | 130.3 Ų | 130.3 | 92% | 0.916 | 83% | 0.832 | S | S | * | * | trans | -119.8 | 132.4 | 156.4 | -71 | -167 | 22.7 | 0 | 0 | 110.6 | ||||
| 507 | R | 51.6 | Low | 47.3 | Very low | 247 Ų | 247 | 130.5 Ų | 130.5 | 93% | 0.932 | 83% | 0.834 | S | S | * | * | trans | -66.2 | 132.1 | -175.8 | 177.7 | -177.1 | -78.6 | -165.2 | -5.5 | 110.8 | ||||
| 508 | G | 47.6 | Very low | 47.8 | Very low | 68 Ų | 68 | 131.9 Ų | 131.9 | 70% | 0.701 | 84% | 0.836 | S | S | * | * | trans | -76.8 | 160.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 509 | P | 43.8 | Very low | 48 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 79% | 0.792 | 84% | 0.841 | S | S | * | * | trans | -138.7 | -172.1 | 149 | 42.9 | -26.6 | 0 | 0 | 0 | 110.7 | ||||
| 510 | P | 46.7 | Very low | 48.5 | Very low | 125 Ų | 125 | 137.3 Ų | 137.3 | 81% | 0.812 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | -101 | 167.9 | -93.3 | 2.6 | 20.5 | 0 | 0 | 0 | 114.3 | |||
| 511 | G | 43.6 | Very low | 49 | Very low | 81 Ų | 81 | 137.6 Ų | 137.6 | 84% | 0.835 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 149.8 | -168.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 512 | E | 46.3 | Very low | 49.3 | Very low | 199 Ų | 199 | 140.5 Ų | 140.5 | 93% | 0.93 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 148.3 | -170.4 | -67.4 | -177.8 | 139.8 | 0 | 0 | 115.3 | ||
| 513 | A | 55.3 | Low | 50 | Low | 101 Ų | 101 | 139.9 Ų | 139.9 | 84% | 0.835 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 144.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 514 | G | 52.9 | Low | 50.5 | Low | 69 Ų | 69 | 136.7 Ų | 136.7 | 71% | 0.711 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 162.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 515 | P | 54.4 | Low | 51.1 | Low | 138 Ų | 138 | 139.3 Ų | 139.3 | 90% | 0.896 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 136.1 | -162.8 | 28.7 | -34.9 | 0 | 0 | 0 | 114.4 | ||
| 516 | K | 57.6 | Low | 51.4 | Low | 204 Ų | 204 | 138.8 Ų | 138.8 | 89% | 0.887 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 137.1 | 173.2 | -176.3 | 176.1 | -179.5 | 173.7 | 0 | 110.1 | ||
| 517 | G | 54.1 | Low | 52 | Low | 74 Ų | 74 | 137.3 Ų | 137.3 | 76% | 0.763 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 147 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 518 | E | 44.3 | Very low | 52.8 | Low | 203 Ų | 203 | 131.2 Ų | 131.2 | 95% | 0.949 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 130.2 | -173.3 | -66 | 179.3 | 153.9 | 0 | 0 | 113.1 | ||
| 519 | R | 55.5 | Low | 53.1 | Low | 238 Ų | 238 | 131.4 Ų | 131.4 | 90% | 0.898 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 133 | 173.2 | 178.2 | -177.7 | -71.9 | 172.7 | -4.4 | 108.6 | ||
| 520 | G | 53 | Low | 53.5 | Low | 69 Ų | 69 | 133.7 Ų | 133.7 | 71% | 0.711 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 153.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q522 | G520-Q522 PolarHBondContact O-N 3.3Š|
| 521 | A | 49.8 | Very low | 54.6 | Low | 107 Ų | 107 | 133.6 Ų | 133.6 | 88% | 0.884 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 125.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 522 | Q | 58 | Low | 55.3 | Low | 193 Ų | 193 | 132.7 Ų | 132.7 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 126.8 | 172.9 | -175.2 | 173.8 | -24.5 | 0 | 0 | 109.6 | G520 | G520-Q522 PolarHBondContact O-N 3.3Š|
| 523 | G | 56.7 | Low | 56 | Low | 64 Ų | 64 | 129.6 Ų | 129.6 | 66% | 0.66 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 152.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R525 | G523-R525 PolarHBondContact O-N 3.46Š|
| 524 | A | 51.5 | Low | 56.3 | Low | 107 Ų | 107 | 134.5 Ų | 134.5 | 88% | 0.884 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 134.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G526 | A524-G526 PolarHBondContact O-N 3.48Š|
| 525 | R | 62.2 | Low | 56.5 | Low | 246 Ų | 246 | 134.3 Ų | 134.3 | 93% | 0.928 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 128.1 | 175.7 | -172 | 176.5 | -177.8 | 174 | 0.5 | 109.7 | G523 | G523-R525 PolarHBondContact O-N 3.46Š|
| 526 | G | 54 | Low | 56.2 | Low | 64 Ų | 64 | 135.7 Ų | 135.7 | 66% | 0.66 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 148.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A524 | A524-G526 PolarHBondContact O-N 3.48Š|
| 527 | I | 52.9 | Low | 56.1 | Low | 165 Ų | 165 | 132.7 Ų | 132.7 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 130.2 | 178.9 | -50.7 | 166.2 | 0 | 0 | 0 | 109.1 | ||
| 528 | P | 68.8 | Low | 55.9 | Low | 119 Ų | 119 | 132.2 Ų | 132.2 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 136 | 171.9 | -22.3 | 33 | 0 | 0 | 0 | 111.6 | ||
| 529 | G | 53.3 | Low | 56.1 | Low | 72 Ų | 72 | 130.6 Ų | 130.6 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 145 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 530 | L | 52.8 | Low | 56.2 | Low | 169 Ų | 169 | 125.2 Ų | 125.2 | 89% | 0.885 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 134.4 | 173.6 | -76.4 | 158.4 | 0 | 0 | 0 | 110.6 | G532 | L530-G532 PolarHBondContact O-N 3.29Š|
| 531 | P | 70.3 | Confident | 56 | Low | 123 Ų | 123 | 125.3 Ų | 125.3 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 135.9 | 170.4 | -23.1 | 33.1 | 0 | 0 | 0 | 111.3 | ||
| 532 | G | 57.4 | Low | 55.7 | Low | 63 Ų | 63 | 127.2 Ų | 127.2 | 65% | 0.649 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 151.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L530 K534 | L530-G532 PolarHBondContact O-N 3.29Å; G532-K534 PolarHBondContact O-N 3.37Å |
| 533 | P | 60.3 | Low | 55.2 | Low | 134 Ų | 134 | 126.1 Ų | 126.1 | 87% | 0.87 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 130.4 | 176.6 | 25.7 | -32.5 | 0 | 0 | 0 | 110.5 | G535 | P533-G535 PolarHBondContact O-N 3.36Š|
| 534 | K | 62.9 | Low | 54.6 | Low | 203 Ų | 203 | 126.2 Ų | 126.2 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -61 | 128.7 | 173.1 | -167.3 | 177.4 | -177.9 | -179 | 0 | 108.5 | G532 | G532-K534 PolarHBondContact O-N 3.37Š|
| 535 | G | 56.3 | Low | 53.9 | Low | 66 Ų | 66 | 132.5 Ų | 132.5 | 68% | 0.68 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -60 | 144.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | P533 T537 | P533-G535 PolarHBondContact O-N 3.36Å; G535-T537 PolarHBondContact O-N 3.45Å |
| 536 | D | 49.3 | Very low | 53 | Low | 166 Ų | 166 | 128.5 Ų | 128.5 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 129.4 | 179.3 | -66.4 | -42.5 | 0 | 0 | 0 | 111.3 | G538 | D536-G538 PolarHBondContact O-N 3.46Š|
| 537 | T | 53.8 | Low | 52.5 | Low | 142 Ų | 142 | 128.9 Ų | 128.9 | 87% | 0.871 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 126.4 | 174.9 | -46.9 | 0 | 0 | 0 | 0 | 110 | G535 | G535-T537 PolarHBondContact O-N 3.45Š|
| 538 | G | 51.3 | Low | 51.9 | Low | 63 Ų | 63 | 128.9 Ų | 128.9 | 65% | 0.649 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -60 | 147.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | D536 | D536-G538 PolarHBondContact O-N 3.46Š|
| 539 | L | 47.1 | Very low | 51.1 | Low | 170 Ų | 170 | 129.4 Ų | 129.4 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 140.9 | 176.9 | -72.7 | 163.5 | 0 | 0 | 0 | 111.4 | G541 | L539-G541 PolarHBondContact O-N 3.34Š|
| 540 | P | 57.7 | Low | 50.7 | Low | 125 Ų | 125 | 129.4 Ų | 129.4 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 124.2 | 177.5 | -22.1 | 32.3 | 0 | 0 | 0 | 112 | ||
| 541 | G | 50.4 | Low | 50.1 | Low | 71 Ų | 71 | 130 Ų | 130 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 142.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111 | L539 | L539-G541 PolarHBondContact O-N 3.34Š|
| 542 | V | 42.7 | Very low | 49.3 | Very low | 147 Ų | 147 | 130.5 Ų | 130.5 | 89% | 0.891 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 131.1 | -173.9 | -155.8 | 0 | 0 | 0 | 0 | 111 | ||
| 543 | D | 48.2 | Very low | 48.6 | Very low | 169 Ų | 169 | 131.3 Ų | 131.3 | 90% | 0.904 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -60 | 133.8 | 174.9 | -84.2 | -36.4 | 0 | 0 | 0 | 112.2 | ||
| 544 | G | 43.3 | Very low | 48.2 | Very low | 67 Ų | 67 | 131.6 Ų | 131.6 | 69% | 0.691 | 82% | 0.823 | S | S | * | * | trans | -175.2 | 88.9 | 174 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 545 | R | 37.9 | Very low | 47.7 | Very low | 239 Ų | 239 | 132 Ų | 132 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | trans | 82.1 | 109.8 | 141.3 | -57.1 | -177.2 | 176.6 | -164.4 | -3 | 120.1 | ||||
| 546 | D | 42.7 | Very low | 47.2 | Very low | 161 Ų | 161 | 132 Ų | 132 | 86% | 0.861 | 82% | 0.824 | S | S | * | * | trans | 37.2 | 102.2 | 131.9 | -56.7 | -29.8 | 0 | 0 | 0 | 120.3 | ||||
| 547 | G | 44 | Very low | 47.1 | Very low | 72 Ų | 72 | 133 Ų | 133 | 74% | 0.742 | 82% | 0.824 | S | S | * | * | 68 | 108.5 | 109.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 548 | I | 38.9 | Very low | 47.5 | Very low | 166 Ų | 166 | 132.3 Ų | 132.3 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | trans | -147.3 | 119.6 | 135.6 | -53.6 | -178 | 0 | 0 | 0 | 108.5 | ||||
| 549 | P | 52.6 | Low | 47.5 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 84% | 0.844 | 83% | 0.827 | S | S | * | * | trans | -75.9 | 135.9 | 168.8 | -12.5 | 28 | 0 | 0 | 0 | 112.2 | ||||
| 550 | G | 45.6 | Very low | 47.8 | Very low | 72 Ų | 72 | 134.2 Ų | 134.2 | 74% | 0.742 | 83% | 0.826 | S | S | * | * | trans | 142.6 | 114.2 | 151.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 551 | M | 39.8 | Very low | 48.1 | Very low | 181 Ų | 181 | 134.4 Ų | 134.4 | 89% | 0.892 | 83% | 0.827 | S | S | * | * | -173.7 | 130.8 | 115.3 | -93.9 | 179.1 | 81.5 | 0 | 0 | 109.5 | |||||
| 552 | P | 53.2 | Low | 48.5 | Very low | 134 Ų | 134 | 134 Ų | 134 | 87% | 0.87 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 140.2 | 176.8 | -22.1 | 32.9 | 0 | 0 | 0 | 112.7 | ||
| 553 | G | 42.5 | Very low | 49 | Very low | 80 Ų | 80 | 132.9 Ų | 132.9 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 141.4 | -164.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 554 | T | 52.8 | Low | 50 | Low | 140 Ų | 140 | 130.9 Ų | 130.9 | 86% | 0.859 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 125.2 | 156.5 | 50.8 | 0 | 0 | 0 | 0 | 109 | G556 | T554-G556 PolarHBondContact O-N 3.29Š|
| 555 | K | 51.6 | Low | 50.6 | Low | 211 Ų | 211 | 131.2 Ų | 131.2 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | trans | -59.1 | 108.3 | 172.1 | -175.8 | 178.1 | -178.3 | 177.2 | 0 | 109.6 | ||||
| 556 | G | 46.2 | Very low | 51.3 | Low | 66 Ų | 66 | 127.9 Ų | 127.9 | 68% | 0.68 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -77 | 144.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T554 | T554-G556 PolarHBondContact O-N 3.29Š|
| 557 | E | 47 | Very low | 51.9 | Low | 186 Ų | 186 | 124.9 Ų | 124.9 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 150.5 | -172.6 | -62.1 | -179.8 | 136.2 | 0 | 0 | 114.6 | G559 | E557-G559 PolarHBondContact O-N 3.41Š|
| 558 | P | 62.5 | Low | 52.2 | Low | 128 Ų | 128 | 124.8 Ų | 124.8 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 125.5 | 169.6 | -21.3 | 32.6 | 0 | 0 | 0 | 111.6 | ||
| 559 | G | 51.2 | Low | 52.7 | Low | 73 Ų | 73 | 125.5 Ų | 125.5 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 137.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E557 | E557-G559 PolarHBondContact O-N 3.41Š|
| 560 | K | 52.6 | Low | 52.8 | Low | 200 Ų | 200 | 128.3 Ų | 128.3 | 87% | 0.87 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 136.1 | 178.8 | -62.8 | 179.9 | -179.9 | -178 | 0 | 111.2 | G562 | K560-G562 PolarHBondContact O-N 3.11Š|
| 561 | P | 65.5 | Low | 53.1 | Low | 130 Ų | 130 | 127.8 Ų | 127.8 | 84% | 0.844 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 136.4 | 169.7 | -23.6 | 33.4 | 0 | 0 | 0 | 111.2 | ||
| 562 | G | 56.9 | Low | 53.4 | Low | 62 Ų | 62 | 127.4 Ų | 127.4 | 64% | 0.639 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -64 | 153 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K560 | K560-G562 PolarHBondContact O-N 3.11Š|
| 563 | P | 55.1 | Low | 53.9 | Low | 124 Ų | 124 | 126.6 Ų | 126.6 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 141.3 | 179.8 | 25.4 | -32.8 | 0 | 0 | 0 | 111.2 | G565 | P563-G565 PolarHBondContact O-N 2.87Š|
| 564 | P | 67.6 | Low | 54.4 | Low | 126 Ų | 126 | 126 Ų | 126 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -56 | 133.2 | 171 | -21.5 | 32.2 | 0 | 0 | 0 | 110.4 | ||
| 565 | G | 55.8 | Low | 54 | Low | 75 Ų | 75 | 126.1 Ų | 126.1 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 144.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | P563 A567 | P563-G565 PolarHBondContact O-N 2.87Å; G565-A567 PolarHBondContact O-N 3.4Å |
| 566 | D | 52.6 | Low | 54.4 | Low | 168 Ų | 168 | 121.7 Ų | 121.7 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -55 | 134 | 179.1 | -71.9 | -41 | 0 | 0 | 0 | 111.8 | G568 | D566-G568 PolarHBondContact O-N 2.88Š|
| 567 | A | 56.6 | Low | 54.7 | Low | 98 Ų | 98 | 121.8 Ų | 121.8 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 127.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | G565 L569 | G565-A567 PolarHBondContact O-N 3.4Å; A567-L569 PolarHBondContact O-N 3.21Å |
| 568 | G | 49.8 | Very low | 54.7 | Low | 71 Ų | 71 | 121 Ų | 121 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 139.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | D566 Q570 | D566-G568 PolarHBondContact O-N 2.88Å; G568-Q570 PolarHBondContact O-N 2.94Å; G568-Q570 VanDerWaalsContact O-N 3.11Å |
| 569 | L | 48.4 | Very low | 54.5 | Low | 180 Ų | 180 | 120.5 Ų | 120.5 | 94% | 0.942 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 116.6 | 176.3 | -73.2 | 166 | 0 | 0 | 0 | 110.2 | A567 G571 | A567-L569 PolarHBondContact O-N 3.21Å; L569-G571 PolarHBondContact O-N 2.9Å |
| 570 | Q | 54.7 | Low | 54.5 | Low | 189 Ų | 189 | 120.7 Ų | 120.7 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 130.2 | 173.8 | -171.1 | 173.8 | 6.2 | 0 | 0 | 109.6 | G568 | G568-Q570 PolarHBondContact O-N 2.94Å; G568-Q570 VanDerWaalsContact O-N 3.11Å |
| 571 | G | 53.1 | Low | 54 | Low | 61 Ų | 61 | 116.3 Ų | 116.3 | 63% | 0.629 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 142.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L569 | L569-G571 PolarHBondContact O-N 2.9Š|
| 572 | L | 46.2 | Very low | 53.1 | Low | 174 Ų | 174 | 120 Ų | 120 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 129.1 | 176.9 | -72.9 | 163.2 | 0 | 0 | 0 | 110.7 | ||
| 573 | P | 62.8 | Low | 52.5 | Low | 117 Ų | 117 | 120.3 Ų | 120.3 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 135.4 | 173.6 | -22.2 | 32.4 | 0 | 0 | 0 | 111.4 | ||
| 574 | G | 52.5 | Low | 51.7 | Low | 67 Ų | 67 | 121.9 Ų | 121.9 | 69% | 0.691 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 141.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | P576 | G574-P576 WeakPolarHBondContact O-CD 3.44Š|
| 575 | V | 45.4 | Very low | 50.6 | Low | 143 Ų | 143 | 120.9 Ų | 120.9 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 121.6 | -179.9 | -168.7 | 0 | 0 | 0 | 0 | 109.7 | ||
| 576 | P | 60.5 | Low | 50.1 | Low | 117 Ų | 117 | 120.8 Ų | 120.8 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 134.5 | 177.4 | -23.3 | 34 | 0 | 0 | 0 | 112 | G574 | G574-P576 WeakPolarHBondContact O-CD 3.44Š|
| 577 | G | 52.3 | Low | 49.5 | Very low | 68 Ų | 68 | 122.6 Ų | 122.6 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 141.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | P579 | G577-P579 VanDerWaalsContact O-CD 3.29Å; G577-P579 WeakPolarHBondContact O-CD 3.48Å |
| 578 | I | 45.8 | Very low | 49.2 | Very low | 170 Ų | 170 | 128.1 Ų | 128.1 | 87% | 0.872 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 119.2 | -176.6 | -49.1 | 169.8 | 0 | 0 | 0 | 109.2 | ||
| 579 | P | 59 | Low | 48.9 | Very low | 118 Ų | 118 | 128.2 Ų | 128.2 | 77% | 0.766 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 132.9 | 179.5 | -23.2 | 34.9 | 0 | 0 | 0 | 112.8 | G577 | G577-P579 VanDerWaalsContact O-CD 3.29Å; G577-P579 WeakPolarHBondContact O-CD 3.48Å |
| 580 | G | 51.8 | Low | 48.3 | Very low | 76 Ų | 76 | 125.5 Ų | 125.5 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 142.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112 | K582 | G580-K582 PolarHBondContact O-N 3.25Š|
| 581 | A | 42.4 | Very low | 48.2 | Very low | 109 Ų | 109 | 123.7 Ų | 123.7 | 90% | 0.901 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 131 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G583 | A581-G583 PolarHBondContact O-N 3.42Š|
| 582 | K | 45.9 | Very low | 47.7 | Very low | 208 Ų | 208 | 124.3 Ų | 124.3 | 90% | 0.904 | 83% | 0.827 | S | S | * | * | trans | -75.6 | 115.9 | -179.1 | -165.1 | 177.2 | -174.2 | -179.6 | 0 | 110.5 | G580 | G580-K582 PolarHBondContact O-N 3.25Š| ||
| 583 | G | 44 | Very low | 47.3 | Very low | 68 Ų | 68 | 120.7 Ų | 120.7 | 70% | 0.701 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 147.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | A581 | A581-G583 PolarHBondContact O-N 3.42Š|
| 584 | V | 37.9 | Very low | 47.1 | Very low | 156 Ų | 156 | 121.3 Ų | 121.3 | 95% | 0.945 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 153.7 | -159.5 | -140.8 | 0 | 0 | 0 | 0 | 114.2 | ||
| 585 | A | 45.5 | Very low | 46.9 | Very low | 105 Ų | 105 | 121.5 Ų | 121.5 | 87% | 0.868 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 157.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 586 | G | 45.8 | Very low | 46.5 | Very low | 73 Ų | 73 | 124.5 Ų | 124.5 | 75% | 0.753 | 83% | 0.83 | S | S | * | * | trans | 127.7 | 134.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 587 | E | 39.5 | Very low | 46.4 | Very low | 207 Ų | 207 | 125.4 Ų | 125.4 | 97% | 0.967 | 84% | 0.835 | S | S | * | * | cis | -154.1 | 174 | 23.8 | -81.1 | -168 | 123.6 | 0 | 0 | 113.2 | ||||
| 588 | K | 50.6 | Low | 46.1 | Very low | 213 Ų | 213 | 125.7 Ų | 125.7 | 93% | 0.926 | 84% | 0.838 | S | S | * | * | trans | -92.3 | 152.4 | -165.4 | 179.4 | -172.2 | -162.8 | 178.1 | 0 | 113.1 | ||||
| 589 | G | 42.5 | Very low | 46.1 | Very low | 73 Ų | 73 | 124.1 Ų | 124.1 | 75% | 0.753 | 84% | 0.839 | S | S | * | * | trans | 145.5 | 138.3 | 159.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 590 | S | 36.8 | Very low | 45.4 | Very low | 124 Ų | 124 | 127.6 Ų | 127.6 | 87% | 0.867 | 85% | 0.848 | S | S | * | * | cis | -164.1 | 153.8 | 15 | 49.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 591 | T | 51.3 | Low | 45.2 | Very low | 151 Ų | 151 | 126.6 Ų | 126.6 | 93% | 0.926 | 84% | 0.838 | S | S | * | * | trans | -84.8 | 150.3 | 179.5 | -35.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 592 | G | 43.8 | Very low | 44.8 | Very low | 73 Ų | 73 | 129.6 Ų | 129.6 | 75% | 0.753 | 84% | 0.838 | S | S | * | * | trans | 113.2 | 141.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 593 | A | 37.3 | Very low | 45.1 | Very low | 98 Ų | 98 | 125.8 Ų | 125.8 | 81% | 0.81 | 84% | 0.838 | S | S | * | * | cis | -165 | 171.3 | 12.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 594 | P | 58.4 | Low | 45.2 | Very low | 131 Ų | 131 | 126 Ų | 126 | 85% | 0.851 | 84% | 0.84 | S | S | * | * | trans | -97.8 | 160.8 | -155.6 | 6.7 | 12.8 | 0 | 0 | 0 | 118.1 | ||||
| 595 | G | 49.1 | Very low | 45.2 | Very low | 70 Ų | 70 | 128.6 Ų | 128.6 | 72% | 0.722 | 84% | 0.839 | S | S | * | * | trans | 100.9 | 131.1 | 136.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 596 | K | 36.6 | Very low | 45.8 | Very low | 207 Ų | 207 | 129.8 Ų | 129.8 | 90% | 0.9 | 84% | 0.838 | S | S | * | * | -176.2 | 134.1 | 116.9 | -95.7 | 172.7 | -168.5 | -169.9 | 0 | 113.1 | |||||
| 597 | P | 57.3 | Low | 46.1 | Very low | 135 Ų | 135 | 129.9 Ų | 129.9 | 88% | 0.877 | 84% | 0.839 | S | S | * | * | trans | -89.1 | 160.7 | 173.3 | -4 | 23.1 | 0 | 0 | 0 | 115.4 | ||||
| 598 | G | 47.1 | Very low | 46.1 | Very low | 74 Ų | 74 | 129.5 Ų | 129.5 | 76% | 0.763 | 84% | 0.837 | S | S | * | * | trans | 99.2 | 139.2 | 159.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 599 | P | 45.5 | Very low | 46 | Very low | 137 Ų | 137 | 128.9 Ų | 128.9 | 89% | 0.89 | 84% | 0.837 | S | S | * | * | cis | -139.5 | 167.2 | 44.2 | 36.3 | -16.2 | 0 | 0 | 0 | 116.8 | ||||
| 600 | M | 44.5 | Very low | 46.5 | Very low | 191 Ų | 191 | 128.4 Ų | 128.4 | 94% | 0.941 | 83% | 0.833 | S | S | * | * | trans | -92.6 | 137.6 | 171.2 | 175.3 | -177.3 | -71.5 | 0 | 0 | 111 | ||||
| 601 | G | 46.4 | Very low | 47.1 | Very low | 56 Ų | 56 | 128.4 Ų | 128.4 | 58% | 0.577 | 83% | 0.83 | S | S | * | * | trans | 85.7 | 115.7 | 143.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 602 | N | 35.1 | Very low | 47.4 | Very low | 171 Ų | 171 | 127.5 Ų | 127.5 | 91% | 0.914 | 83% | 0.826 | S | S | * | * | 174.7 | 155.1 | 93.1 | -86.1 | -13.1 | 0 | 0 | 0 | 113.7 | |||||
| 603 | S | 52.1 | Low | 48 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 90% | 0.895 | 83% | 0.826 | S | S | * | * | trans | -71.6 | 160.6 | -165.1 | -53.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 604 | G | 46.3 | Very low | 48.6 | Very low | 73 Ų | 73 | 132.6 Ų | 132.6 | 75% | 0.753 | 83% | 0.833 | S | S | * | * | trans | 134.6 | 131.2 | 154.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 605 | K | 38 | Very low | 48.4 | Very low | 210 Ų | 210 | 133.1 Ų | 133.1 | 91% | 0.913 | 83% | 0.834 | S | S | * | * | cis | -153.7 | 168.3 | 19.4 | -76.2 | -176.9 | 177.8 | -177.5 | 0 | 110.4 | ||||
| 606 | P | 57.3 | Low | 48.6 | Very low | 130 Ų | 130 | 132.6 Ų | 132.6 | 84% | 0.844 | 83% | 0.829 | S | S | * | * | trans | -83.2 | 146 | -164.2 | -9.7 | 27.3 | 0 | 0 | 0 | 117.4 | ||||
| 607 | G | 52.3 | Low | 49.2 | Very low | 75 Ų | 75 | 129.3 Ų | 129.3 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | trans | 85.7 | 106.9 | 134.6 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 608 | Q | 40 | Very low | 49.3 | Very low | 200 Ų | 200 | 134.4 Ų | 134.4 | 94% | 0.935 | 83% | 0.83 | S | S | * | * | trans | -140 | 137 | 140.3 | -79.4 | -165.7 | 17 | 0 | 0 | 110.6 | ||||
| 609 | Q | 48.1 | Very low | 49.8 | Very low | 199 Ų | 199 | 133.5 Ų | 133.5 | 93% | 0.93 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 129.6 | -178.6 | -177.5 | 176.7 | 20.6 | 0 | 0 | 110.8 | ||
| 610 | G | 52.9 | Low | 49.8 | Very low | 64 Ų | 64 | 133.7 Ų | 133.7 | 66% | 0.66 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -88 | 148.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 611 | P | 49.3 | Very low | 50.5 | Low | 124 Ų | 124 | 136.1 Ų | 136.1 | 81% | 0.805 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 157.2 | -164.9 | 32 | -35.4 | 0 | 0 | 0 | 114.9 | ||
| 612 | P | 57.4 | Low | 50.7 | Low | 131 Ų | 131 | 136.7 Ų | 136.7 | 85% | 0.851 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 145.3 | -179.8 | -15 | 30.7 | 0 | 0 | 0 | 114.2 | ||
| 613 | G | 57 | Low | 51.3 | Low | 73 Ų | 73 | 136.8 Ų | 136.8 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 153.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 614 | E | 49.2 | Very low | 51.9 | Low | 205 Ų | 205 | 136.7 Ų | 136.7 | 96% | 0.958 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 149.7 | -168.6 | -64.2 | -177.7 | 141.2 | 0 | 0 | 116 | ||
| 615 | V | 55.8 | Low | 52.2 | Low | 143 Ų | 143 | 137 Ų | 137 | 87% | 0.867 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 131.8 | -173.5 | 175.5 | 0 | 0 | 0 | 0 | 111.5 | ||
| 616 | G | 52.7 | Low | 52.7 | Low | 59 Ų | 59 | 132.9 Ų | 132.9 | 61% | 0.608 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 165.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 617 | P | 48.2 | Very low | 52.3 | Low | 138 Ų | 138 | 138.6 Ų | 138.6 | 90% | 0.896 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 146.8 | -156.8 | 28.7 | -35.3 | 0 | 0 | 0 | 115.8 | ||
| 618 | R | 60.1 | Low | 52 | Low | 241 Ų | 241 | 138.6 Ų | 138.6 | 91% | 0.909 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 131.3 | -175.2 | -178 | 178.3 | 175.3 | 178.2 | 1.2 | 112.5 | ||
| 619 | G | 57.3 | Low | 52.1 | Low | 56 Ų | 56 | 138.7 Ų | 138.7 | 58% | 0.577 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 163.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 620 | P | 46.5 | Very low | 52 | Low | 141 Ų | 141 | 137.6 Ų | 137.6 | 92% | 0.916 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 148.9 | -167.8 | 28.1 | -33.7 | 0 | 0 | 0 | 114.4 | ||
| 621 | R | 59.1 | Low | 52 | Low | 242 Ų | 242 | 137.3 Ų | 137.3 | 91% | 0.913 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -81 | 130.9 | -173.2 | -176.3 | 178.6 | -179.6 | 169.6 | -0.2 | 111.8 | ||
| 622 | G | 49.4 | Very low | 51.9 | Low | 68 Ų | 68 | 137.8 Ų | 137.8 | 70% | 0.701 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 153.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 623 | L | 48.9 | Very low | 51.9 | Low | 172 Ų | 172 | 138.5 Ų | 138.5 | 90% | 0.901 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 145.9 | -178.5 | -71.6 | 163.7 | 0 | 0 | 0 | 112.7 | ||
| 624 | P | 64.1 | Low | 51.6 | Low | 126 Ų | 126 | 138.1 Ų | 138.1 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 141.3 | 179.1 | -16.7 | 30.9 | 0 | 0 | 0 | 113.8 | ||
| 625 | G | 52.2 | Low | 51.4 | Low | 81 Ų | 81 | 133.9 Ų | 133.9 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 144.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 626 | S | 48.2 | Very low | 51.6 | Low | 122 Ų | 122 | 133.3 Ų | 133.3 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 137.3 | 175.8 | 49.1 | 0 | 0 | 0 | 0 | 112.6 | ||
| 627 | R | 49.4 | Very low | 51.5 | Low | 251 Ų | 251 | 134.1 Ų | 134.1 | 95% | 0.947 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 142.4 | 178 | -174.5 | 175.4 | 179.4 | 164.1 | -1.2 | 111.6 | ||
| 628 | G | 46.8 | Very low | 51 | Low | 74 Ų | 74 | 135.9 Ų | 135.9 | 76% | 0.763 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 162.1 | -164.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 629 | E | 41.6 | Very low | 50.6 | Low | 202 Ų | 202 | 130.1 Ų | 130.1 | 94% | 0.944 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 142.3 | 167.4 | -74.5 | -176.9 | 157.7 | 0 | 0 | 111.2 | ||
| 630 | L | 46.9 | Very low | 50.2 | Low | 176 Ų | 176 | 131.2 Ų | 131.2 | 92% | 0.921 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 135 | -173.8 | -172.6 | 73.3 | 0 | 0 | 0 | 111.4 | ||
| 631 | G | 52.3 | Low | 50 | Low | 58 Ų | 58 | 136.4 Ų | 136.4 | 60% | 0.598 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 152.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 632 | P | 47.8 | Very low | 49.1 | Very low | 135 Ų | 135 | 133.3 Ų | 133.3 | 88% | 0.877 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 137.6 | 170.6 | 28.7 | -30.6 | 0 | 0 | 0 | 112 | ||
| 633 | V | 56.6 | Low | 48.9 | Very low | 145 Ų | 145 | 133.4 Ų | 133.4 | 88% | 0.879 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 138.1 | -177.9 | 169.9 | 0 | 0 | 0 | 0 | 112.1 | ||
| 634 | G | 50.3 | Low | 48.5 | Very low | 65 Ų | 65 | 131.2 Ų | 131.2 | 67% | 0.67 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 149.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 635 | S | 46.3 | Very low | 47.4 | Very low | 117 Ų | 117 | 133.6 Ų | 133.6 | 82% | 0.818 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 132.7 | 173.6 | 50.6 | 0 | 0 | 0 | 0 | 111.9 | ||
| 636 | P | 60 | Low | 47 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 84% | 0.844 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 142.5 | 179.6 | -21.3 | 32.5 | 0 | 0 | 0 | 114.2 | ||
| 637 | G | 49.3 | Very low | 46.5 | Very low | 76 Ų | 76 | 132.7 Ų | 132.7 | 78% | 0.784 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 154.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 638 | L | 37.1 | Very low | 46.7 | Very low | 175 Ų | 175 | 126.9 Ų | 126.9 | 92% | 0.916 | 83% | 0.825 | S | S | * | * | trans | -106.8 | 143.4 | 169.5 | -81.8 | 165 | 0 | 0 | 0 | 111.7 | ||||
| 639 | P | 53.3 | Low | 46.8 | Very low | 121 Ų | 121 | 127 Ų | 127 | 79% | 0.786 | 83% | 0.826 | S | S | * | * | trans | -91.4 | 154.8 | -156.5 | -6.9 | 29.2 | 0 | 0 | 0 | 113.9 | ||||
| 640 | G | 48.4 | Very low | 46.7 | Very low | 79 Ų | 79 | 125.5 Ų | 125.5 | 81% | 0.814 | 82% | 0.824 | S | S | * | * | trans | -83.4 | 170.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 641 | R | 41 | Very low | 47.1 | Very low | 250 Ų | 250 | 122.4 Ų | 122.4 | 94% | 0.943 | 82% | 0.815 | S | S | * | * | trans | -118.9 | 101.7 | 163.4 | -101.1 | -171.2 | 171.8 | -163 | -1.6 | 111 | ||||
| 642 | L | 40.5 | Very low | 47.1 | Very low | 177 Ų | 177 | 123.3 Ų | 123.3 | 93% | 0.927 | 82% | 0.824 | S | S | * | * | 3.6 | 130.9 | 127.6 | -160.7 | 75.8 | 0 | 0 | 0 | 115 | |||||
| 643 | G | 47 | Very low | 46.7 | Very low | 70 Ų | 70 | 124.7 Ų | 124.7 | 72% | 0.722 | 82% | 0.823 | S | S | * | * | cis | 143.1 | 136.9 | 8 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 644 | S | 38.4 | Very low | 46.6 | Very low | 125 Ų | 125 | 123.2 Ų | 123.2 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | -119.8 | 94.3 | 157.8 | 61.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 645 | L | 42.7 | Very low | 46.6 | Very low | 177 Ų | 177 | 123.3 Ų | 123.3 | 93% | 0.927 | 82% | 0.818 | S | S | * | * | trans | -32.5 | 133 | 153.4 | -165.4 | 75.5 | 0 | 0 | 0 | 110.6 | ||||
| 646 | G | 43.4 | Very low | 46.4 | Very low | 63 Ų | 63 | 123.7 Ų | 123.7 | 65% | 0.649 | 82% | 0.817 | S | S | * | * | cis | 126.7 | 103.3 | 20.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 647 | S | 38.2 | Very low | 46.1 | Very low | 121 Ų | 121 | 122.9 Ų | 122.9 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 121.9 | 163.4 | 39.8 | 0 | 0 | 0 | 0 | 109.1 | ||
| 648 | P | 53.3 | Low | 46.1 | Very low | 128 Ų | 128 | 122.9 Ų | 122.9 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 145.1 | -170.5 | -26 | 34.5 | 0 | 0 | 0 | 115.7 | ||
| 649 | G | 47.4 | Very low | 46 | Very low | 76 Ų | 76 | 122.4 Ų | 122.4 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 148.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 650 | L | 40.2 | Very low | 46 | Very low | 172 Ų | 172 | 121.9 Ų | 121.9 | 90% | 0.901 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 137.8 | 169 | -83.9 | 162.3 | 0 | 0 | 0 | 111 | ||
| 651 | P | 55.4 | Low | 46.2 | Very low | 111 Ų | 111 | 122 Ų | 122 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 154.9 | -166.5 | -18.7 | 33.7 | 0 | 0 | 0 | 115.2 | ||
| 652 | G | 52.5 | Low | 46.1 | Very low | 76 Ų | 76 | 118.3 Ų | 118.3 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 147.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 653 | L | 38.8 | Very low | 46.6 | Very low | 165 Ų | 165 | 119.6 Ų | 119.6 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -124.3 | 148.1 | 170.1 | -79.7 | 165.6 | 0 | 0 | 0 | 111 | ||||
| 654 | P | 55 | Low | 46.5 | Very low | 113 Ų | 113 | 119.6 Ų | 119.6 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 158.9 | -148.4 | -14.6 | 33.5 | 0 | 0 | 0 | 113.9 | ||
| 655 | G | 50.2 | Low | 47.1 | Very low | 68 Ų | 68 | 122.2 Ų | 122.2 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 130.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | P657 | G655-P657 WeakPolarHBondContact O-CD 3.31Š|
| 656 | P | 42.9 | Very low | 47.2 | Very low | 124 Ų | 124 | 125.3 Ų | 125.3 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 125.2 | 170.8 | -17.9 | 31.4 | 0 | 0 | 0 | 110.4 | ||
| 657 | P | 52.4 | Low | 47 | Very low | 114 Ų | 114 | 125.6 Ų | 125.6 | 74% | 0.74 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 147.3 | 174.4 | -22.8 | 33.5 | 0 | 0 | 0 | 112.7 | G655 L659 | G655-P657 WeakPolarHBondContact O-CD 3.31Å; P657-L659 PolarHBondContact O-N 3.22Å |
| 658 | G | 50 | Low | 47.5 | Very low | 75 Ų | 75 | 127.2 Ų | 127.2 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 132.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 659 | L | 35.6 | Very low | 46.9 | Very low | 165 Ų | 165 | 128 Ų | 128 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | trans | -106.8 | 122.6 | 173.7 | -75.6 | 173.5 | 0 | 0 | 0 | 111.1 | P657 | P657-L659 PolarHBondContact O-N 3.22Š| ||
| 660 | P | 52.4 | Low | 46.7 | Very low | 111 Ų | 111 | 127.3 Ų | 127.3 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | trans | -58.8 | 152.6 | 179.8 | -26.5 | 34.4 | 0 | 0 | 0 | 115 | ||||
| 661 | G | 52.7 | Low | 46.8 | Very low | 80 Ų | 80 | 128.3 Ų | 128.3 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -65.1 | 137.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 662 | M | 38.2 | Very low | 46.6 | Very low | 173 Ų | 173 | 129.4 Ų | 129.4 | 85% | 0.852 | 81% | 0.813 | S | S | * | * | trans | -136.3 | 103.7 | 164.6 | -59.4 | -169.2 | 77.8 | 0 | 0 | 105.1 | ||||
| 663 | K | 52.3 | Low | 46.3 | Very low | 205 Ų | 205 | 128.9 Ų | 128.9 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | 57.7 | 105.3 | 91.7 | -166.3 | -179.4 | -168.9 | -179.7 | 0 | 112.2 | |||||
| 664 | G | 44.2 | Very low | 46.5 | Very low | 69 Ų | 69 | 127.3 Ų | 127.3 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | trans | 83 | 104.4 | 150.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | R666 | G664-R666 VanDerWaalsContact C-N 3.33Å; G664-R666 PolarHBondContact O-N 3.24Å | ||
| 665 | D | 52.1 | Low | 45.9 | Very low | 180 Ų | 180 | 132.2 Ų | 132.2 | 96% | 0.963 | 82% | 0.817 | S | S | * | * | trans | -69.2 | 95.8 | 154.7 | -70.5 | -39.1 | 0 | 0 | 0 | 108.9 | ||||
| 666 | R | 43.7 | Very low | 46 | Very low | 243 Ų | 243 | 132 Ų | 132 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | trans | -141.8 | 105 | 146.4 | -169.5 | 174.7 | 178.6 | 173.8 | -0.3 | 109.9 | G664 | G664-R666 VanDerWaalsContact C-N 3.33Å; G664-R666 PolarHBondContact O-N 3.24Å | ||
| 667 | G | 40.5 | Very low | 45.7 | Very low | 68 Ų | 68 | 135.6 Ų | 135.6 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | trans | 75.5 | 107.3 | 151.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 668 | V | 47.3 | Very low | 45.3 | Very low | 155 Ų | 155 | 139.6 Ų | 139.6 | 94% | 0.939 | 83% | 0.829 | S | S | * | * | trans | -71.2 | 119.6 | 147.4 | -95.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 669 | V | 40.6 | Very low | 44.9 | Very low | 146 Ų | 146 | 139.1 Ų | 139.1 | 89% | 0.885 | 82% | 0.824 | S | S | * | * | trans | -79.5 | 120 | 167.8 | 166.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 670 | G | 43.2 | Very low | 44.8 | Very low | 61 Ų | 61 | 136.1 Ų | 136.1 | 63% | 0.629 | 82% | 0.823 | S | S | * | * | trans | 62.1 | 108.7 | 141.9 | 0 | 0 | 0 | 0 | 0 | 120 | P672 | G670-P672 WeakPolarHBondContact O-CD 3.09Š| ||
| 671 | E | 42.5 | Very low | 44.2 | Very low | 193 Ų | 193 | 136.7 Ų | 136.7 | 90% | 0.902 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -70 | 123.5 | 132.5 | -70.8 | -156.5 | 139.2 | 0 | 0 | 108.4 | G673 | E671-G673 PolarHBondContact O-N 3.42Š|
| 672 | P | 52.5 | Low | 43.6 | Very low | 134 Ų | 134 | 136.1 Ų | 136.1 | 87% | 0.87 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 116 | 172.8 | -22.7 | 34.7 | 0 | 0 | 0 | 110.5 | G670 | G670-P672 WeakPolarHBondContact O-CD 3.09Š|
| 673 | G | 44.3 | Very low | 44 | Very low | 65 Ų | 65 | 137.8 Ų | 137.8 | 67% | 0.67 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 173.2 | -162.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | E671 | E671-G673 PolarHBondContact O-N 3.42Š|
| 674 | P | 43.5 | Very low | 43.6 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | trans | -90.5 | 115.9 | 150.1 | 31.3 | -23.4 | 0 | 0 | 0 | 110.4 | ||||
| 675 | K | 42.1 | Very low | 44 | Very low | 217 Ų | 217 | 137 Ų | 137 | 94% | 0.943 | 83% | 0.828 | S | S | * | * | trans | -17.5 | 135.9 | 144.8 | -169.5 | -174.1 | -170.2 | -177.4 | 0 | 113 | ||||
| 676 | G | 53.3 | Low | 43.4 | Very low | 62 Ų | 62 | 138 Ų | 138 | 64% | 0.639 | 83% | 0.827 | S | S | * | * | cis | 156.4 | 137.3 | 0.9 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 677 | E | 37.3 | Very low | 43.3 | Very low | 200 Ų | 200 | 133.2 Ų | 133.2 | 94% | 0.935 | 83% | 0.825 | S | S | * | * | trans | -160.9 | 108.9 | 164.2 | -112.4 | 163.4 | -152.2 | 0 | 0 | 110.2 | ||||
| 678 | Q | 42.9 | Very low | 44 | Very low | 198 Ų | 198 | 133 Ų | 133 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | trans | -13.5 | 138.2 | 138.9 | 177.4 | -178.8 | -8 | 0 | 0 | 114.4 | ||||
| 679 | G | 41.7 | Very low | 43.6 | Very low | 65 Ų | 65 | 134.7 Ų | 134.7 | 67% | 0.67 | 82% | 0.821 | S | S | * | * | cis | 170.5 | 178.3 | 0.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 680 | A | 33.9 | Very low | 43.7 | Very low | 103 Ų | 103 | 139.6 Ų | 139.6 | 85% | 0.851 | 82% | 0.823 | S | S | * | * | trans | 72.6 | 125.5 | 153.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 681 | S | 39 | Very low | 44.4 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | 88.8 | 122 | 127.8 | -155.7 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 682 | G | 40.5 | Very low | 44.2 | Very low | 67 Ų | 67 | 139.9 Ų | 139.9 | 69% | 0.691 | 83% | 0.826 | S | S | * | * | 72.5 | 103.9 | 124.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | E684 | G682-E684 PolarHBondContact O-N 3.34Š| |||
| 683 | E | 47.6 | Very low | 43.5 | Very low | 208 Ų | 208 | 142.1 Ų | 142.1 | 97% | 0.972 | 83% | 0.83 | S | S | * | * | trans | -81.8 | 95.9 | 154.7 | -72.1 | -172.6 | 160.5 | 0 | 0 | 108.6 | ||||
| 684 | E | 43 | Very low | 43.7 | Very low | 191 Ų | 191 | 141.9 Ų | 141.9 | 89% | 0.893 | 83% | 0.827 | S | S | * | * | trans | -85.9 | 132.7 | 159.8 | -165.6 | 167.8 | -164.5 | 0 | 0 | 108 | G682 | G682-E684 PolarHBondContact O-N 3.34Š| ||
| 685 | G | 52.1 | Low | 43.4 | Very low | 66 Ų | 66 | 144 Ų | 144 | 68% | 0.68 | 83% | 0.832 | S | S | * | * | trans | -82.6 | 165.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 686 | E | 40.5 | Very low | 43.5 | Very low | 201 Ų | 201 | 142 Ų | 142 | 94% | 0.939 | 83% | 0.829 | S | S | * | * | trans | -133.6 | 131.4 | 159 | -77.4 | -168.9 | 135.1 | 0 | 0 | 112.3 | ||||
| 687 | T | 40.6 | Very low | 43.1 | Very low | 143 Ų | 143 | 142.1 Ų | 142.1 | 88% | 0.877 | 83% | 0.83 | S | S | * | * | trans | -59.7 | 154.3 | 179.9 | -47.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 688 | G | 56.2 | Low | 43 | Very low | 64 Ų | 64 | 141 Ų | 141 | 66% | 0.66 | 83% | 0.83 | S | S | * | * | trans | -99.4 | -174.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 689 | E | 39.3 | Very low | 43.5 | Very low | 191 Ų | 191 | 137.3 Ų | 137.3 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | trans | -151.8 | 121.9 | 166.6 | -74.2 | -169.1 | 134.7 | 0 | 0 | 107.8 | ||||
| 690 | R | 42 | Very low | 43.7 | Very low | 248 Ų | 248 | 137.8 Ų | 137.8 | 94% | 0.936 | 83% | 0.828 | S | S | * | * | 48.5 | 128.9 | 93.6 | -164.2 | -171.1 | -66.3 | -177.1 | 2.1 | 113.1 | |||||
| 691 | G | 57.2 | Low | 44.3 | Very low | 67 Ų | 67 | 139 Ų | 139 | 69% | 0.691 | 83% | 0.827 | S | S | * | * | cis | 136.8 | 124.9 | 7.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 692 | E | 38.4 | Very low | 44.8 | Very low | 193 Ų | 193 | 143.1 Ų | 143.1 | 90% | 0.902 | 83% | 0.83 | S | S | * | * | trans | -149.4 | 113.6 | 165.4 | -69 | -169.3 | 152.6 | 0 | 0 | 107.3 | ||||
| 693 | L | 37.4 | Very low | 45.4 | Very low | 181 Ų | 181 | 143.5 Ų | 143.5 | 95% | 0.948 | 83% | 0.834 | S | S | * | * | 56.1 | 119.3 | 81.6 | -159 | 82.7 | 0 | 0 | 0 | 111.1 | |||||
| 694 | G | 48.6 | Very low | 44.9 | Very low | 60 Ų | 60 | 139.8 Ų | 139.8 | 62% | 0.619 | 83% | 0.831 | S | S | * | * | cis | 141.9 | 141 | 11.2 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 695 | D | 38.9 | Very low | 44.9 | Very low | 177 Ų | 177 | 135.8 Ų | 135.8 | 95% | 0.947 | 83% | 0.83 | S | S | * | * | trans | -150.2 | 109 | 152.7 | -100.7 | -19.6 | 0 | 0 | 0 | 110.9 | ||||
| 696 | I | 42.4 | Very low | 44.6 | Very low | 174 Ų | 174 | 135.7 Ų | 135.7 | 89% | 0.892 | 83% | 0.829 | S | S | * | * | trans | -87.9 | 145.3 | 169.8 | -65.7 | 160.5 | 0 | 0 | 0 | 105.3 | ||||
| 697 | G | 45.8 | Very low | 44.5 | Very low | 64 Ų | 64 | 134 Ų | 134 | 66% | 0.66 | 83% | 0.826 | S | S | * | * | cis | 158.9 | 170.5 | 10.8 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 698 | L | 34.2 | Very low | 45 | Very low | 176 Ų | 176 | 133 Ų | 133 | 92% | 0.921 | 82% | 0.823 | S | S | * | * | trans | -140.2 | 141.2 | 150.6 | -84.1 | 178.7 | 0 | 0 | 0 | 110.7 | ||||
| 699 | P | 55 | Low | 44.5 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 79% | 0.786 | 83% | 0.83 | S | S | * | * | trans | -91.4 | 152.9 | -156.2 | -5.8 | 27.4 | 0 | 0 | 0 | 114.1 | ||||
| 700 | G | 45.4 | Very low | 44.9 | Very low | 75 Ų | 75 | 133.7 Ų | 133.7 | 77% | 0.773 | 83% | 0.83 | S | S | * | * | trans | -90.2 | 155.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 701 | P | 45.9 | Very low | 45.9 | Very low | 129 Ų | 129 | 127.9 Ų | 127.9 | 84% | 0.838 | 82% | 0.824 | S | S | * | * | trans | -96.8 | 110 | 158 | 31.4 | -24.6 | 0 | 0 | 0 | 111.9 | ||||
| 702 | K | 48.9 | Very low | 45.6 | Very low | 210 Ų | 210 | 128.4 Ų | 128.4 | 91% | 0.913 | 83% | 0.83 | S | S | * | * | trans | 10.2 | 112.5 | 153.7 | -159.1 | 173.5 | -174.6 | 175.9 | 0 | 120.8 | ||||
| 703 | G | 55.1 | Low | 46 | Very low | 75 Ų | 75 | 127.8 Ų | 127.8 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | 66 | 121.4 | 114.5 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 704 | S | 35.7 | Very low | 47.1 | Very low | 130 Ų | 130 | 129.1 Ų | 129.1 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | trans | -151 | 151.2 | 134.4 | 58.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 705 | A | 42.6 | Very low | 47.3 | Very low | 106 Ų | 106 | 128.8 Ų | 128.8 | 88% | 0.876 | 82% | 0.821 | S | S | * | * | trans | -90.3 | 148.2 | -157.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 706 | G | 47.2 | Very low | 47.9 | Very low | 64 Ų | 64 | 126.9 Ų | 126.9 | 66% | 0.66 | 82% | 0.818 | S | S | * | * | trans | 92.4 | 123.4 | 132.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 707 | N | 38.3 | Very low | 48.3 | Very low | 165 Ų | 165 | 126.2 Ų | 126.2 | 88% | 0.882 | 81% | 0.811 | S | S | * | * | -152.8 | 150.3 | 124.4 | -88.2 | -40.4 | 0 | 0 | 0 | 111.4 | |||||
| 708 | P | 50.8 | Low | 48.4 | Very low | 124 Ų | 124 | 126.8 Ų | 126.8 | 81% | 0.805 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 154.9 | -168.3 | -17 | 33.1 | 0 | 0 | 0 | 115.2 | ||
| 709 | G | 46.5 | Very low | 48.9 | Very low | 78 Ų | 78 | 124.2 Ų | 124.2 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 143.2 | -169.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 710 | E | 47.1 | Very low | 48.8 | Very low | 191 Ų | 191 | 129.7 Ų | 129.7 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 138.3 | 172.6 | -75.1 | 179.5 | 132.4 | 0 | 0 | 111.9 | ||
| 711 | P | 62.2 | Low | 48.9 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 139.2 | 171 | -23.5 | 33.9 | 0 | 0 | 0 | 112.9 | ||
| 712 | G | 51.4 | Low | 49 | Very low | 78 Ų | 78 | 130.8 Ų | 130.8 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 139.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | R714 | G712-R714 PolarHBondContact O-N 3.04Š|
| 713 | L | 46.7 | Very low | 49.8 | Very low | 179 Ų | 179 | 126.5 Ų | 126.5 | 94% | 0.937 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 119.8 | 176.3 | -68.8 | 165.9 | 0 | 0 | 0 | 111 | ||
| 714 | R | 60.1 | Low | 49.5 | Very low | 209 Ų | 209 | 126.6 Ų | 126.6 | 79% | 0.789 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 133.2 | 168.9 | -177.3 | 172.7 | 173.9 | 170.4 | -5.2 | 109.4 | G712 E717 | G712-R714 PolarHBondContact O-N 3.04Å; R714-E717 IonicContact NH2-OE2 3.27Å; R714-E717 PolarHBondContact NH2-OE2 2.79Å |
| 715 | G | 53.8 | Low | 50 | Low | 54 Ų | 54 | 126.7 Ų | 126.7 | 56% | 0.557 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 152.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | E717 | G715-E717 PolarHBondContact O-N 3.43Å; G715-E717 VanDerWaalsContact O-N 3.14Å |
| 716 | P | 50.7 | Low | 50.7 | Low | 136 Ų | 136 | 130.5 Ų | 130.5 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | trans | -68.8 | 111.1 | -178.1 | 27.6 | -32.3 | 0 | 0 | 0 | 110.4 | ||||
| 717 | E | 51.9 | Low | 51.1 | Low | 160 Ų | 160 | 130 Ų | 130 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | -69.9 | 137 | 164.6 | -119.5 | 169.1 | 144.4 | 0 | 0 | 109.2 | R714 G715 | R714-E717 IonicContact NH2-OE2 3.27Å; R714-E717 PolarHBondContact NH2-OE2 2.79Å; G715-E717 PolarHBondContact O-N 3.43Å; G715-E717 VanDerWaalsContact O-N 3.14Å | ||
| 718 | G | 47.2 | Very low | 51.8 | Low | 76 Ų | 76 | 128.4 Ų | 128.4 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | trans | -58.1 | 138.7 | -161.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | R720 | G718-R720 PolarHBondContact O-N 3.25Š| ||
| 719 | S | 43.6 | Very low | 52.2 | Low | 122 Ų | 122 | 133.9 Ų | 133.9 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | -62.6 | 113.1 | 169.2 | 41.8 | 0 | 0 | 0 | 0 | 110.4 | G721 | S719-G721 PolarHBondContact O-N 2.92Š| ||
| 720 | R | 54.5 | Low | 52.6 | Low | 237 Ų | 237 | 132.6 Ų | 132.6 | 89% | 0.894 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 129.5 | 160.3 | -169.5 | 173 | -177.3 | 161.5 | 0.2 | 107.8 | G718 L722 | G718-R720 PolarHBondContact O-N 3.25Å; R720-L722 PolarHBondContact O-N 2.76Å |
| 721 | G | 47.5 | Very low | 52.8 | Low | 67 Ų | 67 | 129.2 Ų | 129.2 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 131.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S719 | S719-G721 PolarHBondContact O-N 2.92Š|
| 722 | L | 46.5 | Very low | 52.9 | Low | 160 Ų | 160 | 129 Ų | 129 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 131.4 | 167.7 | -68.1 | 164.6 | 0 | 0 | 0 | 108.5 | R720 G724 | R720-L722 PolarHBondContact O-N 2.76Å; L722-G724 PolarHBondContact O-N 3.29Å |
| 723 | P | 66 | Low | 52.8 | Low | 120 Ų | 120 | 128.1 Ų | 128.1 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 135.7 | 159 | -20 | 31.9 | 0 | 0 | 0 | 108.6 | V725 | P723-V725 PolarHBondContact O-N 3.27Š|
| 724 | G | 49.8 | Very low | 52.5 | Low | 76 Ų | 76 | 125.9 Ų | 125.9 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -49 | 130.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112 | L722 E726 | L722-G724 PolarHBondContact O-N 3.29Å; G724-E726 PolarHBondContact O-N 3.1Å; G724-E726 VanDerWaalsContact O-N 3.09Å |
| 725 | V | 46.1 | Very low | 52.2 | Low | 133 Ų | 133 | 126.2 Ų | 126.2 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | trans | -64.6 | 110.2 | 171.5 | -169.6 | 0 | 0 | 0 | 0 | 106.6 | P723 G727 | P723-V725 PolarHBondContact O-N 3.27Å; V725-G727 PolarHBondContact O-N 2.99Å | ||
| 726 | E | 57.5 | Low | 51.8 | Low | 185 Ų | 185 | 126.7 Ų | 126.7 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 126.9 | 168 | -165.8 | 173.4 | -172.2 | 0 | 0 | 107.5 | G724 | G724-E726 PolarHBondContact O-N 3.1Å; G724-E726 VanDerWaalsContact O-N 3.09Å |
| 727 | G | 55.7 | Low | 51.2 | Low | 54 Ų | 54 | 126.7 Ų | 126.7 | 56% | 0.557 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 147.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V725 R729 | V725-G727 PolarHBondContact O-N 2.99Å; G727-R729 PolarHBondContact O-N 3.43Å |
| 728 | P | 51.3 | Low | 51.1 | Low | 131 Ų | 131 | 126.9 Ų | 126.9 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 122 | 176.8 | 22 | -31.8 | 0 | 0 | 0 | 109 | G730 | P728-G730 PolarHBondContact O-N 3.16Å; P728-G730 VanDerWaalsContact O-N 3.13Å |
| 729 | R | 59.4 | Low | 51.1 | Low | 239 Ų | 239 | 125.1 Ų | 125.1 | 90% | 0.902 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -50 | 122.7 | 175.7 | -174.3 | 176.3 | 179.9 | -177.1 | 0.9 | 107.7 | G727 | G727-R729 PolarHBondContact O-N 3.43Š|
| 730 | G | 56.1 | Low | 50.8 | Low | 52 Ų | 52 | 125.7 Ų | 125.7 | 54% | 0.536 | 75% | 0.745 | S | S | . | * | P | Polyproline II helix | trans | -50.5 | 142.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | P728 | P728-G730 PolarHBondContact O-N 3.16Å; P728-G730 VanDerWaalsContact O-N 3.13Å |
| 731 | P | 50.1 | Low | 50.4 | Low | 119 Ų | 119 | 123.6 Ų | 123.6 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 137.1 | 177.4 | 21.7 | -31.6 | 0 | 0 | 0 | 108.7 | G733 | P731-G733 PolarHBondContact O-N 3.4Å; P731-G733 VanDerWaalsContact O-N 3.14Å |
| 732 | P | 64.8 | Low | 50.3 | Low | 122 Ų | 122 | 123.1 Ų | 123.1 | 79% | 0.792 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 126.9 | 174.2 | -24.7 | 32.5 | 0 | 0 | 0 | 108.8 | ||
| 733 | G | 49.9 | Very low | 49.9 | Very low | 60 Ų | 60 | 120.6 Ų | 120.6 | 62% | 0.619 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 141 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | P731 R735 | P731-G733 PolarHBondContact O-N 3.4Å; P731-G733 VanDerWaalsContact O-N 3.14Å; G733-R735 PolarHBondContact O-N 3.4Å |
| 734 | P | 40 | Very low | 49.1 | Very low | 132 Ų | 132 | 121.2 Ų | 121.2 | 86% | 0.857 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 122.1 | -178.1 | 21.8 | -31.8 | 0 | 0 | 0 | 108.7 | G736 | P734-G736 PolarHBondContact O-N 3.32Š|
| 735 | R | 53.8 | Low | 49 | Very low | 215 Ų | 215 | 120.5 Ų | 120.5 | 81% | 0.811 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 123.1 | 173.8 | -176.9 | 175.9 | 176.2 | 177.5 | -2.7 | 107.1 | G733 V737 | G733-R735 PolarHBondContact O-N 3.4Å; R735-V737 PolarHBondContact O-N 3.05Å |
| 736 | G | 45.4 | Very low | 48.7 | Very low | 64 Ų | 64 | 122.2 Ų | 122.2 | 66% | 0.66 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 131.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | P734 Q738 | P734-G736 PolarHBondContact O-N 3.32Å; G736-Q738 PolarHBondContact O-N 2.89Å |
| 737 | V | 38.6 | Very low | 48.6 | Very low | 136 Ų | 136 | 118.8 Ų | 118.8 | 82% | 0.824 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 118.3 | 174 | -74.6 | 0 | 0 | 0 | 0 | 108.4 | R735 | R735-V737 PolarHBondContact O-N 3.05Š|
| 738 | Q | 48.5 | Very low | 48.3 | Very low | 165 Ų | 165 | 119.7 Ų | 119.7 | 77% | 0.771 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 127.2 | 170.6 | 177.1 | 176.4 | 4.3 | 0 | 0 | 107 | G736 | G736-Q738 PolarHBondContact O-N 2.89Š|
| 739 | G | 47.8 | Very low | 48 | Very low | 39 Ų | 39 | 120.3 Ų | 120.3 | 40% | 0.402 | 75% | 0.745 | S | S | . | * | P | Polyproline II helix | trans | -65.1 | 144.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | E449 Q741 | E449-G739 WeakPolarHBondContact OE1-CA 3.39Å; E449-G739 WeakPolarHBondContact OE2-CA 3.29Å; G739-Q741 PolarHBondContact O-N 3.48Å |
| 740 | E | 37.1 | Very low | 47.3 | Very low | 134 Ų | 134 | 118 Ų | 118 | 63% | 0.626 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 127.8 | 179.7 | -74.1 | -165 | 141.3 | 0 | 0 | 112.4 | E449 | E449-E740 HydrophobicContact CB-CB 4.31Å; E449-E740 VanDerWaalsContact O-O 3.11Å; E449-E740 PolarHBondContact OE2-N 3.36Å |
| 741 | Q | 45.6 | Very low | 47.3 | Very low | 192 Ų | 192 | 118 Ų | 118 | 90% | 0.897 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 128.5 | 170.8 | -164.9 | 176.6 | -12.8 | 0 | 0 | 109.3 | G739 | G739-Q741 PolarHBondContact O-N 3.48Š|
| 742 | G | 46.6 | Very low | 47.4 | Very low | 57 Ų | 57 | 118 Ų | 118 | 59% | 0.588 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 144.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | T744 | G742-T744 PolarHBondContact O-N 2.8Å; G742-T744 VanDerWaalsContact O-N 3.11Å |
| 743 | A | 37.6 | Very low | 46.7 | Very low | 107 Ų | 107 | 118.2 Ų | 118.2 | 88% | 0.884 | 75% | 0.745 | S | S | * | * | trans | -58.5 | 110.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G745 | A743-G745 PolarHBondContact O-N 3.34Š| ||
| 744 | T | 50.4 | Low | 46.9 | Very low | 133 Ų | 133 | 118.9 Ų | 118.9 | 82% | 0.816 | 75% | 0.752 | S | S | * | * | trans | -58.7 | 128.7 | 162.2 | -42.3 | 0 | 0 | 0 | 0 | 109.1 | G742 L746 | G742-T744 PolarHBondContact O-N 2.8Å; G742-T744 VanDerWaalsContact O-N 3.11Å; T744-L746 PolarHBondContact O-N 3.48Å | ||
| 745 | G | 47.2 | Very low | 47.9 | Very low | 62 Ų | 62 | 124.1 Ų | 124.1 | 64% | 0.639 | 75% | 0.754 | S | S | * | * | trans | -50 | 136.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A743 P747 | A743-G745 PolarHBondContact O-N 3.34Å; G745-P747 VanDerWaalsContact O-CD 3.31Å; G745-P747 WeakPolarHBondContact O-CD 3.5Å | ||
| 746 | L | 39.8 | Very low | 48 | Very low | 169 Ų | 169 | 118 Ų | 118 | 89% | 0.885 | 75% | 0.75 | S | S | * | * | trans | -42.7 | 115.8 | -178 | -72.9 | 168 | 0 | 0 | 0 | 110.4 | T744 G748 | T744-L746 PolarHBondContact O-N 3.48Å; L746-G748 PolarHBondContact O-N 3.11Å | ||
| 747 | P | 55.2 | Low | 48.7 | Very low | 113 Ų | 113 | 118.5 Ų | 118.5 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | trans | -54.6 | 130.5 | 167.7 | -22.8 | 33 | 0 | 0 | 0 | 108 | G745 V749 | G745-P747 VanDerWaalsContact O-CD 3.31Å; G745-P747 WeakPolarHBondContact O-CD 3.5Å; P747-V749 PolarHBondContact O-N 3.44Å | ||
| 748 | G | 48.8 | Very low | 50.3 | Low | 73 Ų | 73 | 116.3 Ų | 116.3 | 75% | 0.753 | 73% | 0.729 | S | S | * | * | trans | -48.4 | 129.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | L746 Q750 | L746-G748 PolarHBondContact O-N 3.11Å; G748-Q750 PolarHBondContact O-N 3.49Å | ||
| 749 | V | 44.4 | Very low | 51.6 | Low | 143 Ų | 143 | 114.3 Ų | 114.3 | 87% | 0.867 | 72% | 0.723 | S | S | * | * | trans | -41.5 | 114.2 | 179.2 | -85.1 | 0 | 0 | 0 | 0 | 109.3 | P747 G751 | P747-V749 PolarHBondContact O-N 3.44Å; V749-G751 PolarHBondContact O-N 3.11Å | ||
| 750 | Q | 46.6 | Very low | 52.7 | Low | 192 Ų | 192 | 119.7 Ų | 119.7 | 90% | 0.897 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 116.6 | 176.7 | -172 | 172 | 41.1 | 0 | 0 | 106.8 | G748 | G748-Q750 PolarHBondContact O-N 3.49Š|
| 751 | G | 55.3 | Low | 54.4 | Low | 50 Ų | 50 | 118 Ų | 118 | 52% | 0.515 | 73% | 0.73 | S | S | . | * | P | Polyproline II helix | trans | -52.8 | 146 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | V749 | V749-G751 PolarHBondContact O-N 3.11Š|
| 752 | P | 51.1 | Low | 55.9 | Low | 119 Ų | 119 | 112.9 Ų | 112.9 | 77% | 0.773 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -50.1 | 140.1 | -179.5 | 22 | -32.7 | 0 | 0 | 0 | 109.3 | G754 | P752-G754 PolarHBondContact O-N 2.99Š|
| 753 | P | 50.8 | Low | 57.2 | Low | 127 Ų | 127 | 117.3 Ų | 117.3 | 83% | 0.825 | 71% | 0.711 | S | S | * | * | trans | -45.2 | 121 | -176.7 | 12.1 | -26.5 | 0 | 0 | 0 | 109.7 | R755 | P753-R755 PolarHBondContact O-N 2.99Å; P753-R755 VanDerWaalsContact O-N 3.17Å | ||
| 754 | G | 53.8 | Low | 59.1 | Low | 74 Ų | 74 | 118.3 Ų | 118.3 | 76% | 0.763 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 125.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | P752 A756 | P752-G754 PolarHBondContact O-N 2.99Å; G754-A756 PolarHBondContact O-N 2.66Å |
| 755 | R | 61.8 | Low | 60.4 | Low | 242 Ų | 242 | 115.4 Ų | 115.4 | 91% | 0.913 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 127.2 | -178.3 | -83.6 | -177.7 | 175.3 | -177.3 | -1.3 | 108.9 | P753 | P753-R755 PolarHBondContact O-N 2.99Å; P753-R755 VanDerWaalsContact O-N 3.17Å |
| 756 | A | 55.4 | Low | 61.8 | Low | 87 Ų | 87 | 115.8 Ų | 115.8 | 72% | 0.719 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 126.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | G754 T758 | G754-A756 PolarHBondContact O-N 2.66Å; A756-T758 PolarHBondContact O-N 3.12Å; A756-T758 VanDerWaalsContact O-N 3.13Å |
| 757 | P | 60.8 | Low | 63.6 | Low | 74 Ų | 74 | 113.6 Ų | 113.6 | 48% | 0.481 | 66% | 0.658 | S | S | . | * | P | Polyproline II helix | trans | -62.4 | 122.2 | -174.3 | 23.5 | -30.8 | 0 | 0 | 0 | 108.2 | H761 I762 | P757-H761 HydrophobicContact CB-CB 4.16Å; P757-I762 HydrophobicContact CB-CG1 4.02Å; P757-I762 HydrophobicContact CG-CD1 4.29Å; P757-I762 HydrophobicContact CG-CG1 4.16Å |
| 758 | T | 71.3 | Confident | 64.8 | Low | 91 Ų | 91 | 117 Ų | 117 | 56% | 0.558 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 152.8 | 175.9 | 45.7 | 0 | 0 | 0 | 0 | 109.5 | A756 Q760 H761 I762 | A756-T758 PolarHBondContact O-N 3.12Å; A756-T758 VanDerWaalsContact O-N 3.13Å; T758-Q760 CarbonylContact O-C 3.46Å; T758-Q760 PolarHBondContact O-N 3.44Å; T758-H761 WeakPolarHBondContact O-CA 3.45Å; T758-H761 WeakPolarHBondContact O-CB 3.13Å; T758-H761 PolarHBondContact O-N 3.44Å; T758-I762 PolarHBondContact O-N 3.38Å |
| 759 | D | 75.5 | Confident | 66.5 | Low | 123 Ų | 123 | 117.1 Ų | 117.1 | 66% | 0.658 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -52.6 | -26.6 | 178 | -80.1 | -6.5 | 0 | 0 | 0 | 112.9 | K763 | D759-K763 VanDerWaalsContact O-CB 3.3Å; D759-K763 WeakPolarHBondContact O-CB 3.29Å; D759-K763 WeakPolarHBondContact O-CG 3.41Å; D759-K763 PolarHBondContact O-N 3.43Å |
| 760 | Q | 71.8 | Confident | 68.2 | Low | 151 Ų | 151 | 115.2 Ų | 115.2 | 71% | 0.706 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68.1 | -41.1 | 171.7 | -75.5 | -178.3 | -28.1 | 0 | 0 | 113 | T758 K763 Q764 | T758-Q760 CarbonylContact O-C 3.46Å; T758-Q760 PolarHBondContact O-N 3.44Å; Q760-K763 PolarHBondContact O-N 3.37Å; Q760-Q764 WeakPolarHBondContact O-CB 3.49Å; Q760-Q764 VanDerWaalsContact O-CG 3.32Å; Q760-Q764 WeakPolarHBondContact O-CG 3.2Å; Q760-Q764 PolarHBondContact O-N 3.07Å |
| 761 | H | 72.3 | Confident | 69.6 | Low | 98 Ų | 98 | 112.2 Ų | 112.2 | 45% | 0.454 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.1 | -40.3 | 174.8 | -168.7 | 71.8 | 0 | 0 | 0 | 111.1 | P757 T758 Q764 V765 | P757-H761 HydrophobicContact CB-CB 4.16Å; T758-H761 WeakPolarHBondContact O-CA 3.45Å; T758-H761 WeakPolarHBondContact O-CB 3.13Å; T758-H761 PolarHBondContact O-N 3.44Å; H761-Q764 PolarHBondContact O-N 3.33Å; H761-V765 VanDerWaalsContact O-CG2 3.3Å; H761-V765 WeakPolarHBondContact O-CG2 3.43Å; H761-V765 PolarHBondContact O-N 3.44Å |
| 762 | I | 77.4 | Confident | 70.6 | Confident | 86 Ų | 86 | 115.8 Ų | 115.8 | 44% | 0.441 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.2 | -42.7 | 176.2 | -59.4 | 175.8 | 0 | 0 | 0 | 110.6 | P757 T758 Q764 V765 C766 | P757-I762 HydrophobicContact CB-CG1 4.02Å; P757-I762 HydrophobicContact CG-CD1 4.29Å; P757-I762 HydrophobicContact CG-CG1 4.16Å; T758-I762 PolarHBondContact O-N 3.38Å; I762-Q764 PolarHBondContact O-N 3.49Å; I762-V765 PolarHBondContact O-N 2.8Å; I762-C766 VanDerWaalsContact O-CB 3.25Å; I762-C766 WeakPolarHBondContact O-CB 3.44Å; I762-C766 PolarHBondContact O-N 3.07Å |
| 763 | K | 74.4 | Confident | 71.6 | Confident | 150 Ų | 150 | 115.7 Ų | 115.7 | 65% | 0.652 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -63.1 | -39.2 | 174.3 | -77.9 | 176.2 | -178.7 | -177.4 | 0 | 112.4 | D759 Q760 C766 M767 | D759-K763 VanDerWaalsContact O-CB 3.3Å; D759-K763 WeakPolarHBondContact O-CB 3.29Å; D759-K763 WeakPolarHBondContact O-CG 3.41Å; D759-K763 PolarHBondContact O-N 3.43Å; Q760-K763 PolarHBondContact O-N 3.37Å; K763-C766 PolarHBondContact O-N 3.48Å; K763-M767 WeakPolarHBondContact O-CB 3.18Å; K763-M767 PolarHBondContact O-N 3.25Å |
| 764 | Q | 76.3 | Confident | 72.7 | Confident | 128 Ų | 128 | 116.6 Ų | 116.6 | 60% | 0.598 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.1 | -41.3 | 176.8 | -80.2 | 176.4 | -20.1 | 0 | 0 | 112.6 | Q760 H761 I762 R768 | Q760-Q764 WeakPolarHBondContact O-CB 3.49Å; Q760-Q764 VanDerWaalsContact O-CG 3.32Å; Q760-Q764 WeakPolarHBondContact O-CG 3.2Å; Q760-Q764 PolarHBondContact O-N 3.07Å; H761-Q764 PolarHBondContact O-N 3.33Å; I762-Q764 PolarHBondContact O-N 3.49Å; Q764-R768 WeakPolarHBondContact O-CB 3.46Å; Q764-R768 PolarHBondContact O-N 2.73Å |
| 765 | V | 78.3 | Confident | 73.5 | Confident | 72 Ų | 72 | 115.9 Ų | 115.9 | 44% | 0.436 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.3 | -43.9 | 175.4 | 174 | 0 | 0 | 0 | 0 | 110.2 | H761 I762 M767 R768 V769 | H761-V765 VanDerWaalsContact O-CG2 3.3Å; H761-V765 WeakPolarHBondContact O-CG2 3.43Å; H761-V765 PolarHBondContact O-N 3.44Å; I762-V765 PolarHBondContact O-N 2.8Å; V765-M767 PolarHBondContact O-N 3.16Å; V765-R768 PolarHBondContact O-N 3.24Å; V765-V769 WeakPolarHBondContact O-CG2 3.39Å; V765-V769 PolarHBondContact O-N 3.49Å |
| 766 | C | 76.9 | Confident | 73.8 | Confident | 70 Ų | 70 | 110.6 Ų | 110.6 | 47% | 0.473 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.1 | -42.2 | 177.5 | -162.6 | 0 | 0 | 0 | 0 | 111.8 | I762 K763 R768 V769 I770 | I762-C766 VanDerWaalsContact O-CB 3.25Å; I762-C766 WeakPolarHBondContact O-CB 3.44Å; I762-C766 PolarHBondContact O-N 3.07Å; K763-C766 PolarHBondContact O-N 3.48Å; C766-R768 PolarHBondContact O-N 3.1Å; C766-V769 PolarHBondContact O-N 2.76Å; C766-I770 WeakPolarHBondContact O-CB 3.49Å; C766-I770 VanDerWaalsContact O-CG1 3.23Å; C766-I770 WeakPolarHBondContact O-CG1 3.4Å; C766-I770 PolarHBondContact O-N 2.82Å |
| 767 | M | 77.9 | Confident | 74.4 | Confident | 122 Ų | 122 | 111.8 Ų | 111.8 | 60% | 0.601 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.3 | -43 | 172.3 | -97.1 | 179.7 | 51.6 | 0 | 0 | 111.8 | K763 V765 V769 I770 Q771 | K763-M767 WeakPolarHBondContact O-CB 3.18Å; K763-M767 PolarHBondContact O-N 3.25Å; V765-M767 PolarHBondContact O-N 3.16Å; M767-V769 PolarHBondContact O-N 3.11Å; M767-I770 PolarHBondContact O-N 3.18Å; M767-Q771 WeakPolarHBondContact O-CB 3.44Å; M767-Q771 PolarHBondContact O-N 3.39Å |
| 768 | R | 80.6 | Confident | 74.5 | Confident | 186 Ų | 186 | 110.4 Ų | 110.4 | 70% | 0.702 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61.1 | -44.6 | 177.6 | -110.2 | -176.7 | -177.9 | 178.5 | 0.2 | 112.3 | Q764 V765 C766 Q771 E772 | Q764-R768 WeakPolarHBondContact O-CB 3.46Å; Q764-R768 PolarHBondContact O-N 2.73Å; V765-R768 PolarHBondContact O-N 3.24Å; C766-R768 PolarHBondContact O-N 3.1Å; R768-Q771 PolarHBondContact O-N 3.23Å; R768-E772 WeakPolarHBondContact O-CB 3.24Å; R768-E772 WeakPolarHBondContact O-CG 3.47Å; R768-E772 PolarHBondContact O-N 3.5Å |
| 769 | V | 83.5 | Confident | 73.9 | Confident | 74 Ų | 74 | 109.4 Ų | 109.4 | 45% | 0.448 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.6 | -40.4 | 179.1 | 174.2 | 0 | 0 | 0 | 0 | 111 | V765 C766 M767 Q771 E772 H773 | V765-V769 WeakPolarHBondContact O-CG2 3.39Å; V765-V769 PolarHBondContact O-N 3.49Å; C766-V769 PolarHBondContact O-N 2.76Å; M767-V769 PolarHBondContact O-N 3.11Å; V769-Q771 VanDerWaalsContact C-N 3.33Å; V769-E772 PolarHBondContact O-N 3.32Å; V769-H773 WeakPolarHBondContact O-CB 3.01Å; V769-H773 PolarHBondContact O-N 3.18Å |
| 770 | I | 79.9 | Confident | 73 | Confident | 104 Ų | 104 | 108.3 Ų | 108.3 | 53% | 0.533 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.7 | -39.3 | 174.4 | -68.8 | 167.7 | 0 | 0 | 0 | 110.6 | C766 M767 H773 F774 | C766-I770 WeakPolarHBondContact O-CB 3.49Å; C766-I770 VanDerWaalsContact O-CG1 3.23Å; C766-I770 WeakPolarHBondContact O-CG1 3.4Å; C766-I770 PolarHBondContact O-N 2.82Å; M767-I770 PolarHBondContact O-N 3.18Å; I770-H773 PolarHBondContact O-N 3.04Å; I770-F774 VanDerWaalsContact O-CB 3.3Å; I770-F774 WeakPolarHBondContact O-CB 3.42Å; I770-F774 PolarHBondContact O-N 3.48Å |
| 771 | Q | 77.4 | Confident | 72.1 | Confident | 128 Ų | 128 | 108.1 Ų | 108.1 | 60% | 0.598 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -70.6 | -34.9 | 179.5 | -149.1 | 170.5 | 20.4 | 0 | 0 | 111.7 | M767 R768 V769 F774 A775 | M767-Q771 WeakPolarHBondContact O-CB 3.44Å; M767-Q771 PolarHBondContact O-N 3.39Å; R768-Q771 PolarHBondContact O-N 3.23Å; V769-Q771 VanDerWaalsContact C-N 3.33Å; Q771-F774 PolarHBondContact O-N 3.35Å; Q771-A775 WeakPolarHBondContact O-CB 3.41Å; Q771-A775 PolarHBondContact O-N 3.49Å |
| 772 | E | 75.7 | Confident | 71.2 | Confident | 126 Ų | 126 | 112 Ų | 112 | 59% | 0.589 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.6 | -46 | 170.5 | -81.2 | 177 | 167.5 | 0 | 0 | 111.3 | R768 V769 F774 A775 E776 | R768-E772 WeakPolarHBondContact O-CB 3.24Å; R768-E772 WeakPolarHBondContact O-CG 3.47Å; R768-E772 PolarHBondContact O-N 3.5Å; V769-E772 PolarHBondContact O-N 3.32Å; E772-F774 VanDerWaalsContact C-N 3.32Å; E772-F774 PolarHBondContact O-N 3.37Å; E772-A775 PolarHBondContact O-N 3.37Å; E772-E776 PolarHBondContact O-N 3.03Å |
| 773 | H | 72.1 | Confident | 69.6 | Low | 117 Ų | 117 | 119.1 Ų | 119.1 | 54% | 0.542 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63 | -38.6 | 174.6 | -103.8 | 48.1 | 0 | 0 | 0 | 112.5 | V769 I770 E776 M777 | V769-H773 WeakPolarHBondContact O-CB 3.01Å; V769-H773 PolarHBondContact O-N 3.18Å; I770-H773 PolarHBondContact O-N 3.04Å; H773-E776 IonicContact ND1-OE2 3.31Å; H773-M777 VanDerWaalsContact O-CB 3.32Å; H773-M777 WeakPolarHBondContact O-CB 3.41Å; H773-M777 PolarHBondContact O-N 3.3Å |
| 774 | F | 73.4 | Confident | 68.2 | Low | 146 Ų | 146 | 117.5 Ų | 117.5 | 64% | 0.64 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -72.5 | -33.6 | 177.6 | -151.4 | -94.6 | 0 | 0 | 0 | 111.6 | I770 Q771 E772 M777 A778 | I770-F774 VanDerWaalsContact O-CB 3.3Å; I770-F774 WeakPolarHBondContact O-CB 3.42Å; I770-F774 PolarHBondContact O-N 3.48Å; Q771-F774 PolarHBondContact O-N 3.35Å; E772-F774 VanDerWaalsContact C-N 3.32Å; E772-F774 PolarHBondContact O-N 3.37Å; F774-M777 PolarHBondContact O-N 3.09Å; F774-A778 WeakPolarHBondContact O-CB 3.28Å; F774-A778 PolarHBondContact O-N 3.32Å |
| 775 | A | 71.7 | Confident | 66.7 | Low | 58 Ų | 58 | 118.6 Ų | 118.6 | 48% | 0.479 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -69 | -39.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | Q771 E772 A778 A779 | Q771-A775 WeakPolarHBondContact O-CB 3.41Å; Q771-A775 PolarHBondContact O-N 3.49Å; E772-A775 PolarHBondContact O-N 3.37Å; A775-A778 PolarHBondContact O-N 3.14Å; A775-A779 WeakPolarHBondContact O-CB 3.44Å; A775-A779 PolarHBondContact O-N 3.13Å |
| 776 | E | 68.1 | Low | 65.1 | Low | 131 Ų | 131 | 121 Ų | 121 | 61% | 0.612 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -63.9 | -41 | 171.8 | -81.2 | -176.9 | 146.5 | 0 | 0 | 111.6 | E772 H773 A779 S780 | E772-E776 PolarHBondContact O-N 3.03Å; H773-E776 IonicContact ND1-OE2 3.31Å; E776-A779 PolarHBondContact O-N 3.42Å; E776-S780 WeakPolarHBondContact O-CB 3.36Å; E776-S780 PolarHBondContact O-N 3.4Å |
| 777 | M | 67.4 | Low | 63.7 | Low | 112 Ų | 112 | 121.6 Ų | 121.6 | 55% | 0.552 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -69.9 | -37.8 | 177.5 | -148.4 | 177.6 | -62.4 | 0 | 0 | 111.9 | H773 F774 S780 L781 | H773-M777 VanDerWaalsContact O-CB 3.32Å; H773-M777 WeakPolarHBondContact O-CB 3.41Å; H773-M777 PolarHBondContact O-N 3.3Å; F774-M777 PolarHBondContact O-N 3.09Å; M777-S780 WeakPolarHBondContact O-CB 3.45Å; M777-S780 PolarHBondContact O-N 3.42Å; M777-L781 PolarHBondContact O-N 3.18Å |
| 778 | A | 62.3 | Low | 61.7 | Low | 45 Ų | 45 | 120.1 Ų | 120.1 | 37% | 0.372 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -71.3 | -32.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F774 A775 L781 K782 | F774-A778 WeakPolarHBondContact O-CB 3.28Å; F774-A778 PolarHBondContact O-N 3.32Å; A775-A778 PolarHBondContact O-N 3.14Å; A778-L781 PolarHBondContact O-N 3.2Å; A778-K782 PolarHBondContact O-N 3.27Å |
| 779 | A | 58.2 | Low | 59.8 | Low | 71 Ų | 71 | 117 Ų | 117 | 59% | 0.587 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -70.5 | -32.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A775 E776 L781 | A775-A779 WeakPolarHBondContact O-CB 3.44Å; A775-A779 PolarHBondContact O-N 3.13Å; E776-A779 PolarHBondContact O-N 3.42Å; A779-L781 VanDerWaalsContact C-N 3.32Å |
| 780 | S | 57.1 | Low | 57.7 | Low | 100 Ų | 100 | 117.4 Ų | 117.4 | 70% | 0.699 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -68.4 | -30.1 | 172.3 | -171.8 | 0 | 0 | 0 | 0 | 112.7 | E776 M777 | E776-S780 WeakPolarHBondContact O-CB 3.36Å; E776-S780 PolarHBondContact O-N 3.4Å; M777-S780 WeakPolarHBondContact O-CB 3.45Å; M777-S780 PolarHBondContact O-N 3.42Å |
| 781 | L | 53.8 | Low | 55.8 | Low | 147 Ų | 147 | 120.3 Ų | 120.3 | 77% | 0.77 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -90.2 | -8.7 | -179 | -75.6 | 164.2 | 0 | 0 | 0 | 114.9 | M777 A778 A779 | M777-L781 PolarHBondContact O-N 3.18Å; A778-L781 PolarHBondContact O-N 3.2Å; A779-L781 VanDerWaalsContact C-N 3.32Å |
| 782 | K | 52.6 | Low | 54.3 | Low | 178 Ų | 178 | 120.1 Ų | 120.1 | 77% | 0.774 | 71% | 0.709 | S | S | * | * | trans | -107.6 | 85.6 | 172.8 | -80.7 | -174.1 | 176.9 | -177.3 | 0 | 111 | A778 | A778-K782 PolarHBondContact O-N 3.27Š| ||
| 783 | R | 45.1 | Very low | 52.8 | Low | 236 Ų | 236 | 117.5 Ų | 117.5 | 89% | 0.891 | 72% | 0.716 | S | S | * | * | trans | -107.1 | 118 | 149.4 | -78.5 | -172.2 | -171.5 | 152.3 | 4.3 | 108.8 | ||||
| 784 | P | 43.9 | Very low | 51.8 | Low | 116 Ų | 116 | 123.4 Ų | 123.4 | 75% | 0.753 | 73% | 0.733 | S | S | * | * | trans | -76 | 137.8 | 163.5 | 22.4 | -14.4 | 0 | 0 | 0 | 109.6 | ||||
| 785 | D | 45.6 | Very low | 50.6 | Low | 152 Ų | 152 | 122.6 Ų | 122.6 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -54.6 | 147.8 | 157.7 | -72.3 | -51.3 | 0 | 0 | 0 | 110 | ||
| 786 | S | 44.5 | Very low | 49.6 | Very low | 123 Ų | 123 | 122.9 Ų | 122.9 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 88.6 | 125.8 | 169.9 | -31.1 | 0 | 0 | 0 | 0 | 116.1 | ||
| 787 | G | 46.7 | Very low | 48.8 | Very low | 81 Ų | 81 | 122.5 Ų | 122.5 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | trans | -95.2 | 166.7 | -161.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 788 | A | 36.6 | Very low | 48.3 | Very low | 92 Ų | 92 | 123.4 Ų | 123.4 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | trans | 177.9 | 133.9 | 147.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 789 | S | 40.9 | Very low | 47.8 | Very low | 121 Ų | 121 | 124.2 Ų | 124.2 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | 54.9 | 110.3 | 144.9 | -43 | 0 | 0 | 0 | 0 | 120 | ||||
| 790 | G | 38.5 | Very low | 47.6 | Very low | 81 Ų | 81 | 126.6 Ų | 126.6 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 142.5 | -178 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 791 | L | 39.7 | Very low | 47.7 | Very low | 166 Ų | 166 | 128.1 Ų | 128.1 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 145.9 | 161 | -74.6 | 164.7 | 0 | 0 | 0 | 109.6 | G793 | L791-G793 PolarHBondContact O-N 3.14Š|
| 792 | P | 46.1 | Very low | 47.7 | Very low | 124 Ų | 124 | 124 Ų | 124 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 132.4 | 179.1 | -17.5 | 29.8 | 0 | 0 | 0 | 111.7 | ||
| 793 | G | 45 | Very low | 47.8 | Very low | 71 Ų | 71 | 121.4 Ų | 121.4 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 148.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L791 | L791-G793 PolarHBondContact O-N 3.14Š|
| 794 | R | 50 | Low | 48.3 | Very low | 240 Ų | 240 | 116.2 Ų | 116.2 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 141.6 | 173.1 | -71.1 | -174.5 | 177.5 | -156.4 | 0 | 110 | G796 | R794-G796 PolarHBondContact O-N 3.37Š|
| 795 | P | 49 | Very low | 48.8 | Very low | 130 Ų | 130 | 113.5 Ų | 113.5 | 84% | 0.844 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 132.5 | 174.8 | -23.2 | 32.7 | 0 | 0 | 0 | 110.9 | ||
| 796 | G | 51.4 | Low | 49 | Very low | 64 Ų | 64 | 116 Ų | 116 | 66% | 0.66 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 152.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | R794 | R794-G796 PolarHBondContact O-N 3.37Š|
| 797 | P | 51.5 | Low | 49.2 | Very low | 122 Ų | 122 | 117.6 Ų | 117.6 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 149.1 | 173.1 | 25.6 | -32.5 | 0 | 0 | 0 | 110.4 | G799 | P797-G799 PolarHBondContact O-N 3.07Š|
| 798 | P | 54.9 | Low | 49.4 | Very low | 131 Ų | 131 | 116.8 Ų | 116.8 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -54 | 133.4 | 177.5 | -21.9 | 31.3 | 0 | 0 | 0 | 110.9 | ||
| 799 | G | 53.3 | Low | 49.8 | Very low | 62 Ų | 62 | 122.4 Ų | 122.4 | 64% | 0.639 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 148.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | P797 | P797-G799 PolarHBondContact O-N 3.07Š|
| 800 | P | 54.2 | Low | 50.1 | Low | 122 Ų | 122 | 122.7 Ų | 122.7 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 145.8 | 175.7 | 24.9 | -32.7 | 0 | 0 | 0 | 110.4 | G802 | P800-G802 PolarHBondContact O-N 3.08Š|
| 801 | P | 59.1 | Low | 50.7 | Low | 131 Ų | 131 | 122.3 Ų | 122.3 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 133.2 | 175.1 | -22.5 | 32.1 | 0 | 0 | 0 | 110.4 | ||
| 802 | G | 52.9 | Low | 51.1 | Low | 61 Ų | 61 | 124.2 Ų | 124.2 | 63% | 0.629 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 152.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | P800 | P800-G802 PolarHBondContact O-N 3.08Š|
| 803 | P | 54.4 | Low | 51.1 | Low | 123 Ų | 123 | 127.1 Ų | 127.1 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 141.8 | 175.5 | 25.3 | -32.7 | 0 | 0 | 0 | 109.8 | G805 | P803-G805 PolarHBondContact O-N 3.24Š|
| 804 | P | 57 | Low | 51.5 | Low | 127 Ų | 127 | 127 Ų | 127 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 129.8 | 174.6 | -20.6 | 30.8 | 0 | 0 | 0 | 109.9 | ||
| 805 | G | 54.2 | Low | 51.3 | Low | 60 Ų | 60 | 124.9 Ų | 124.9 | 62% | 0.619 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 148.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | P803 N807 | P803-G805 PolarHBondContact O-N 3.24Å; G805-N807 PolarHBondContact O-N 3.2Å; G805-N807 VanDerWaalsContact O-N 3.11Å |
| 806 | E | 49.9 | Very low | 51.3 | Low | 204 Ų | 204 | 130.4 Ų | 130.4 | 95% | 0.953 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -57 | 116.8 | 175.9 | -73.7 | -176.5 | 152.2 | 0 | 0 | 110.2 | G808 | E806-G808 PolarHBondContact O-N 3.34Š|
| 807 | N | 47.2 | Very low | 51.2 | Low | 156 Ų | 156 | 130.5 Ų | 130.5 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 120.2 | 175 | -69.2 | -30.8 | 0 | 0 | 0 | 109.2 | G805 | G805-N807 PolarHBondContact O-N 3.2Å; G805-N807 VanDerWaalsContact O-N 3.11Å |
| 808 | G | 51.8 | Low | 50.9 | Low | 64 Ų | 64 | 132.9 Ų | 132.9 | 66% | 0.66 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 148.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E806 | E806-G808 PolarHBondContact O-N 3.34Š|
| 809 | F | 44.2 | Very low | 50.6 | Low | 211 Ų | 211 | 132.4 Ų | 132.4 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 126.7 | -175.9 | -70.5 | -85.7 | 0 | 0 | 0 | 112.7 | ||
| 810 | P | 48.7 | Very low | 50.4 | Low | 127 Ų | 127 | 133 Ų | 133 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -75 | 132.7 | 178.9 | -12.1 | 27.4 | 0 | 0 | 0 | 112 | ||
| 811 | G | 50.4 | Low | 50.2 | Low | 72 Ų | 72 | 135.7 Ų | 135.7 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 149.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | M813 | G811-M813 PolarHBondContact O-N 3.29Š|
| 812 | Q | 48 | Very low | 49.6 | Very low | 207 Ų | 207 | 139.5 Ų | 139.5 | 97% | 0.967 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 124.5 | -177.3 | -91 | 177 | -22.5 | 0 | 0 | 112.7 | ||
| 813 | M | 46 | Very low | 49.5 | Very low | 185 Ų | 185 | 139.5 Ų | 139.5 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 126.8 | 178.3 | -171.9 | 178.3 | -72.5 | 0 | 0 | 110.5 | G811 | G811-M813 PolarHBondContact O-N 3.29Š|
| 814 | G | 53.7 | Low | 49.2 | Very low | 67 Ų | 67 | 139.7 Ų | 139.7 | 69% | 0.691 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 150.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 815 | M | 44.4 | Very low | 48.9 | Very low | 196 Ų | 196 | 139.9 Ų | 139.9 | 97% | 0.966 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 131.5 | -174.9 | -63.3 | -179.5 | 69.1 | 0 | 0 | 112.5 | ||
| 816 | R | 49.5 | Very low | 48.8 | Very low | 246 Ų | 246 | 140.4 Ų | 140.4 | 93% | 0.928 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 133 | 179.2 | -176.5 | -177.4 | -88.2 | -163.4 | -4.8 | 110.5 | ||
| 817 | G | 49.5 | Very low | 48.6 | Very low | 66 Ų | 66 | 135.8 Ų | 135.8 | 68% | 0.68 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 153.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 818 | L | 45.5 | Very low | 48.3 | Very low | 172 Ų | 172 | 136.5 Ų | 136.5 | 90% | 0.901 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 140.5 | -174.1 | -74.4 | 160.8 | 0 | 0 | 0 | 113.1 | ||
| 819 | P | 47.7 | Very low | 48 | Very low | 121 Ų | 121 | 137 Ų | 137 | 79% | 0.786 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 140.1 | 176.2 | -15.9 | 29.8 | 0 | 0 | 0 | 112.9 | ||
| 820 | G | 50.9 | Low | 48.3 | Very low | 75 Ų | 75 | 135.5 Ų | 135.5 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 142.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 821 | I | 48.6 | Very low | 48.2 | Very low | 179 Ų | 179 | 141.3 Ų | 141.3 | 92% | 0.918 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 131.2 | 178.6 | 23.1 | 172.3 | 0 | 0 | 0 | 112.3 | ||
| 822 | K | 46.6 | Very low | 48.3 | Very low | 210 Ų | 210 | 140.7 Ų | 140.7 | 91% | 0.913 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 129.5 | -179.1 | -156.5 | 176 | -173.3 | 179.1 | 0 | 110.4 | ||
| 823 | G | 51.1 | Low | 48.4 | Very low | 61 Ų | 61 | 137.3 Ų | 137.3 | 63% | 0.629 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 160 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 824 | P | 49.1 | Very low | 48.2 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 83% | 0.831 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 152.2 | -172.9 | 25.9 | -33.1 | 0 | 0 | 0 | 113.3 | ||
| 825 | P | 50.1 | Low | 47.9 | Very low | 131 Ų | 131 | 138.4 Ų | 138.4 | 85% | 0.851 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 139 | -180 | -15.1 | 28.8 | 0 | 0 | 0 | 112.7 | ||
| 826 | G | 51.1 | Low | 48 | Very low | 70 Ų | 70 | 137 Ų | 137 | 72% | 0.722 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 151.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 827 | A | 45.8 | Very low | 47.9 | Very low | 107 Ų | 107 | 134.1 Ų | 134.1 | 88% | 0.884 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 133.3 | -175 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 828 | L | 42 | Very low | 47.6 | Very low | 172 Ų | 172 | 134.6 Ų | 134.6 | 90% | 0.901 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 129.3 | 173 | -103.5 | 92.4 | 0 | 0 | 0 | 111 | ||
| 829 | G | 46.1 | Very low | 47.5 | Very low | 73 Ų | 73 | 135.8 Ų | 135.8 | 75% | 0.753 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 140.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 830 | L | 49.7 | Very low | 47.5 | Very low | 181 Ų | 181 | 140.3 Ų | 140.3 | 95% | 0.948 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 134.4 | -179 | -68 | 166.2 | 0 | 0 | 0 | 111.8 | ||
| 831 | R | 46.1 | Very low | 47.4 | Very low | 248 Ų | 248 | 140.2 Ų | 140.2 | 94% | 0.936 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 124.4 | 178.8 | -155.9 | 179.5 | -161.7 | -169.5 | 4.9 | 109.6 | ||
| 832 | G | 53 | Low | 47.1 | Very low | 60 Ų | 60 | 141.3 Ų | 141.3 | 62% | 0.619 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 156.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 833 | P | 50 | Low | 46.9 | Very low | 136 Ų | 136 | 143.1 Ų | 143.1 | 88% | 0.883 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 148 | -174.9 | 26.2 | -32.8 | 0 | 0 | 0 | 112.8 | ||
| 834 | K | 42 | Very low | 46.8 | Very low | 204 Ų | 204 | 143 Ų | 143 | 89% | 0.887 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 122.8 | -175.5 | -172.9 | -178.3 | 179.4 | -173.3 | 0 | 110.2 | ||
| 835 | G | 48.2 | Very low | 46.8 | Very low | 70 Ų | 70 | 142.8 Ų | 142.8 | 72% | 0.722 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 150 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 836 | D | 44.8 | Very low | 46.4 | Very low | 167 Ų | 167 | 142.9 Ų | 142.9 | 89% | 0.893 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 158.5 | -174.9 | -67.5 | -43.8 | 0 | 0 | 0 | 114.4 | ||
| 837 | L | 47.6 | Very low | 45.8 | Very low | 186 Ų | 186 | 143.2 Ų | 143.2 | 97% | 0.974 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 126 | -175.7 | -128.6 | 83.3 | 0 | 0 | 0 | 112.1 | ||
| 838 | G | 43.2 | Very low | 45.9 | Very low | 75 Ų | 75 | 150.1 Ų | 150.1 | 77% | 0.773 | 85% | 0.847 | S | S | * | * | trans | -121.6 | 144.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 839 | E | 45 | Very low | 46.2 | Very low | 197 Ų | 197 | 144.9 Ų | 144.9 | 92% | 0.921 | 84% | 0.835 | S | S | * | * | trans | -71.1 | 158.8 | -176.4 | -67.8 | -176.4 | 130.6 | 0 | 0 | 114.8 | ||||
| 840 | K | 47.7 | Very low | 46.3 | Very low | 217 Ų | 217 | 147.9 Ų | 147.9 | 94% | 0.943 | 84% | 0.841 | S | S | * | * | trans | -9.2 | 131.5 | 171.6 | -85.8 | 176.4 | 172.5 | 175.9 | 0 | 118.6 | ||||
| 841 | G | 47.5 | Very low | 46.1 | Very low | 72 Ų | 72 | 149.2 Ų | 149.2 | 74% | 0.742 | 84% | 0.839 | S | S | * | * | trans | 146.6 | 119.8 | 146.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 842 | E | 42.6 | Very low | 46.2 | Very low | 202 Ų | 202 | 141 Ų | 141 | 94% | 0.944 | 83% | 0.832 | S | S | * | * | trans | 62.5 | 136 | 158.3 | -60 | -171.4 | 167.6 | 0 | 0 | 121.9 | ||||
| 843 | R | 43 | Very low | 46 | Very low | 249 Ų | 249 | 146.2 Ų | 146.2 | 94% | 0.94 | 85% | 0.845 | S | S | * | * | trans | -87.8 | 108.8 | -178.7 | -176.8 | -173.1 | -64.2 | -150.3 | 0.4 | 109.9 | ||||
| 844 | G | 47.7 | Very low | 45.9 | Very low | 58 Ų | 58 | 145.7 Ų | 145.7 | 60% | 0.598 | 84% | 0.841 | S | S | * | * | trans | -73.7 | 157.9 | 167 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 845 | P | 49.1 | Very low | 46.2 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 80% | 0.799 | 84% | 0.836 | S | S | * | * | trans | -74.6 | 147.9 | -175 | 30.5 | -32.8 | 0 | 0 | 0 | 111.9 | G847 | P845-G847 PolarHBondContact O-N 3.47Å; P845-G847 VanDerWaalsContact O-N 3.08Å | ||
| 846 | P | 41.7 | Very low | 46.3 | Very low | 133 Ų | 133 | 141.3 Ų | 141.3 | 86% | 0.864 | 84% | 0.843 | S | S | * | * | trans | -72.9 | 105.2 | -179.3 | 27.4 | -30.9 | 0 | 0 | 0 | 111.1 | ||||
| 847 | G | 40.2 | Very low | 46.6 | Very low | 78 Ų | 78 | 140.2 Ų | 140.2 | 80% | 0.804 | 84% | 0.842 | S | S | * | * | trans | -74.2 | 129 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | P845 | P845-G847 PolarHBondContact O-N 3.47Å; P845-G847 VanDerWaalsContact O-N 3.08Å | ||
| 848 | R | 47.3 | Very low | 46.4 | Very low | 251 Ų | 251 | 134.6 Ų | 134.6 | 95% | 0.947 | 83% | 0.829 | S | S | * | * | trans | -95 | 107.8 | 178.4 | -150.6 | -177 | -161.7 | -162.1 | 6.7 | 108.8 | ||||
| 849 | G | 47.2 | Very low | 46.7 | Very low | 63 Ų | 63 | 139.1 Ų | 139.1 | 65% | 0.649 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 149.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 850 | P | 48.5 | Very low | 46.9 | Very low | 136 Ų | 136 | 135.5 Ų | 135.5 | 88% | 0.883 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 139.9 | -177.9 | 26.6 | -32.1 | 0 | 0 | 0 | 112.3 | ||
| 851 | K | 46.7 | Very low | 46.7 | Very low | 209 Ų | 209 | 128.8 Ų | 128.8 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 134.5 | 173.2 | -88.6 | -178.3 | 172.5 | -177.4 | 0 | 110.3 | ||
| 852 | G | 46.3 | Very low | 46.8 | Very low | 75 Ų | 75 | 133 Ų | 133 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 148 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 853 | L | 49 | Very low | 47 | Very low | 170 Ų | 170 | 129.4 Ų | 129.4 | 89% | 0.89 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 142.9 | -177.7 | -72.3 | 163.1 | 0 | 0 | 0 | 112.1 | ||
| 854 | P | 48.7 | Very low | 47.1 | Very low | 125 Ų | 125 | 120.8 Ų | 120.8 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 140.3 | 173.9 | -17.6 | 30.6 | 0 | 0 | 0 | 112.4 | ||
| 855 | G | 47.7 | Very low | 47.1 | Very low | 75 Ų | 75 | 124.5 Ų | 124.5 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 153 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 856 | A | 51.3 | Low | 46.7 | Very low | 106 Ų | 106 | 123 Ų | 123 | 88% | 0.876 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 147.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 857 | V | 51.6 | Low | 46.5 | Very low | 144 Ų | 144 | 122.6 Ų | 122.6 | 87% | 0.873 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 130.4 | -179.7 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | ||
| 858 | G | 43.2 | Very low | 46.8 | Very low | 68 Ų | 68 | 129.7 Ų | 129.7 | 70% | 0.701 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 147.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 859 | L | 49.8 | Very low | 46.5 | Very low | 170 Ų | 170 | 121.3 Ų | 121.3 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 146.2 | -177.4 | -75.1 | 161.3 | 0 | 0 | 0 | 112.6 | ||
| 860 | P | 48 | Very low | 46.4 | Very low | 121 Ų | 121 | 129.5 Ų | 129.5 | 79% | 0.786 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 138.7 | 176.5 | -15.9 | 29.9 | 0 | 0 | 0 | 112.2 | ||
| 861 | G | 43.5 | Very low | 46.5 | Very low | 76 Ų | 76 | 130.8 Ų | 130.8 | 78% | 0.784 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 152.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 862 | D | 49 | Very low | 46.2 | Very low | 160 Ų | 160 | 124 Ų | 124 | 86% | 0.856 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 148.2 | -172.6 | -67.6 | -49.8 | 0 | 0 | 0 | 114.3 | ||
| 863 | P | 47.8 | Very low | 46.5 | Very low | 127 Ų | 127 | 132.5 Ų | 132.5 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 138.4 | -178.6 | -16.8 | 30.9 | 0 | 0 | 0 | 114 | ||
| 864 | G | 44 | Very low | 46.4 | Very low | 69 Ų | 69 | 132.2 Ų | 132.2 | 71% | 0.711 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 156.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 865 | P | 49.2 | Very low | 46.5 | Very low | 136 Ų | 136 | 129.7 Ų | 129.7 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 146.6 | -172.1 | 31 | -33.9 | 0 | 0 | 0 | 113.7 | ||
| 866 | A | 40 | Very low | 46.7 | Very low | 92 Ų | 92 | 135.4 Ų | 135.4 | 76% | 0.76 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 138.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 867 | S | 37.8 | Very low | 46.6 | Very low | 123 Ų | 123 | 142 Ų | 142 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 127.6 | 168.7 | 46 | 0 | 0 | 0 | 0 | 111 | ||
| 868 | Y | 45.9 | Very low | 46.8 | Very low | 227 Ų | 227 | 137.7 Ų | 137.7 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -84 | 121.1 | -174.2 | -81.5 | -98.1 | 0 | 0 | 0 | 112.3 | ||
| 869 | G | 41.3 | Very low | 47.5 | Very low | 75 Ų | 75 | 140.1 Ų | 140.1 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | trans | -110 | 115.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 870 | R | 45.6 | Very low | 47.7 | Very low | 236 Ų | 236 | 138 Ų | 138 | 89% | 0.891 | 82% | 0.816 | S | S | * | * | trans | -68.2 | 136.9 | -177.5 | -87.1 | 174.9 | 169.9 | 176.3 | -3.9 | 112 | ||||
| 871 | N | 49.4 | Very low | 47.9 | Very low | 163 Ų | 163 | 136 Ų | 136 | 87% | 0.872 | 82% | 0.817 | S | S | * | * | trans | 90.4 | 77.9 | 158.8 | -50.4 | -15.9 | 0 | 0 | 0 | 117.6 | ||||
| 872 | G | 42 | Very low | 48.6 | Very low | 67 Ų | 67 | 139.1 Ų | 139.1 | 69% | 0.691 | 82% | 0.82 | S | S | * | * | trans | -172 | 125.8 | 153.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | D874 | G872-D874 PolarHBondContact O-N 3.44Š| ||
| 873 | R | 50.9 | Low | 48.8 | Very low | 253 Ų | 253 | 135.7 Ų | 135.7 | 96% | 0.955 | 81% | 0.814 | S | S | * | * | trans | -59.6 | 137.7 | 179.7 | -76.4 | 179.2 | -178.1 | 172.3 | 0.2 | 110.1 | G875 | R873-G875 PolarHBondContact O-N 2.9Å; R873-G875 VanDerWaalsContact O-N 3.16Å | ||
| 874 | D | 48.8 | Very low | 48.9 | Very low | 164 Ų | 164 | 133.2 Ų | 133.2 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | trans | -58.4 | 114.8 | 171.3 | -59.5 | -47 | 0 | 0 | 0 | 109.6 | G872 | G872-D874 PolarHBondContact O-N 3.44Š| ||
| 875 | G | 49.7 | Very low | 49.4 | Very low | 72 Ų | 72 | 137.3 Ų | 137.3 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | trans | -75 | 127.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | R873 R877 | R873-G875 PolarHBondContact O-N 2.9Å; R873-G875 VanDerWaalsContact O-N 3.16Å; G875-R877 PolarHBondContact O-N 3.33Å | ||
| 876 | E | 52.7 | Low | 49.5 | Very low | 195 Ų | 195 | 136.3 Ų | 136.3 | 91% | 0.911 | 81% | 0.809 | S | S | * | * | trans | -50.9 | 133.3 | 175.9 | -69.5 | -177.2 | 154.2 | 0 | 0 | 111.1 | G878 | E876-G878 PolarHBondContact O-N 3.1Š| ||
| 877 | R | 49.3 | Very low | 49.8 | Very low | 244 Ų | 244 | 135.5 Ų | 135.5 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | trans | -64 | 110.6 | 172.7 | -177 | -176 | -64.2 | -145.8 | 0.3 | 108.2 | G875 | G875-R877 PolarHBondContact O-N 3.33Š| ||
| 878 | G | 54 | Low | 50.5 | Low | 53 Ų | 53 | 135.8 Ų | 135.8 | 55% | 0.546 | 81% | 0.806 | S | S | . | * | P | Polyproline II helix | trans | -55.4 | 148.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | E876 | E876-G878 PolarHBondContact O-N 3.1Š|
| 879 | P | 58 | Low | 50.8 | Low | 120 Ų | 120 | 130.7 Ų | 130.7 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 150.8 | 178.5 | 24.5 | -32.7 | 0 | 0 | 0 | 110.9 | G881 | P879-G881 PolarHBondContact O-N 3.17Š|
| 880 | P | 55.9 | Low | 51.5 | Low | 126 Ų | 126 | 130.2 Ų | 130.2 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 130.4 | 174.2 | -22.1 | 31.5 | 0 | 0 | 0 | 110.6 | V882 | P880-V882 PolarHBondContact O-N 3.29Š|
| 881 | G | 50.9 | Low | 51.8 | Low | 79 Ų | 79 | 124.7 Ų | 124.7 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 129.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | P879 | P879-G881 PolarHBondContact O-N 3.17Š|
| 882 | V | 59.1 | Low | 52 | Low | 140 Ų | 140 | 123 Ų | 123 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 140.5 | 177.2 | -171.9 | 0 | 0 | 0 | 0 | 109.1 | P880 G884 | P880-V882 PolarHBondContact O-N 3.29Å; V882-G884 PolarHBondContact O-N 3.46Å |
| 883 | A | 52.8 | Low | 52.8 | Low | 89 Ų | 89 | 122.8 Ų | 122.8 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 127.8 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | I885 | A883-I885 PolarHBondContact O-N 3.2Š|
| 884 | G | 50 | Low | 52.7 | Low | 74 Ų | 74 | 116.7 Ų | 116.7 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -60 | 132 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V882 | V882-G884 PolarHBondContact O-N 3.46Š|
| 885 | I | 54.8 | Low | 53 | Low | 155 Ų | 155 | 115 Ų | 115 | 80% | 0.795 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 133.3 | 177.3 | -56.7 | 169.9 | 0 | 0 | 0 | 108.3 | A883 G887 | A883-I885 PolarHBondContact O-N 3.2Å; I885-G887 PolarHBondContact O-N 3.38Å |
| 886 | P | 51.5 | Low | 53.1 | Low | 116 Ų | 116 | 115 Ų | 115 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 126.1 | 171.9 | -22.8 | 32.6 | 0 | 0 | 0 | 110.4 | V888 | P886-V888 PolarHBondContact O-N 3.23Š|
| 887 | G | 46 | Very low | 52.7 | Low | 75 Ų | 75 | 113.9 Ų | 113.9 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 129 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I885 | I885-G887 PolarHBondContact O-N 3.38Š|
| 888 | V | 52.9 | Low | 52.6 | Low | 129 Ų | 129 | 107.4 Ų | 107.4 | 78% | 0.782 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -68 | 133.9 | 174.7 | -175.1 | 0 | 0 | 0 | 0 | 108.8 | P886 G890 | P886-V888 PolarHBondContact O-N 3.23Å; V888-G890 PolarHBondContact O-N 3.43Å |
| 889 | P | 51.2 | Low | 51.9 | Low | 119 Ų | 119 | 108.7 Ų | 108.7 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 129.6 | 173 | -25 | 33.9 | 0 | 0 | 0 | 111.1 | ||
| 890 | G | 57 | Low | 50.9 | Low | 65 Ų | 65 | 112.9 Ų | 112.9 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 149.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V888 | V888-G890 PolarHBondContact O-N 3.43Š|
| 891 | P | 50.6 | Low | 50 | Low | 120 Ų | 120 | 112.9 Ų | 112.9 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 152.5 | 179.8 | 26.6 | -33.3 | 0 | 0 | 0 | 111.5 | G893 | P891-G893 PolarHBondContact O-N 3.13Š|
| 892 | P | 54.2 | Low | 49.2 | Very low | 128 Ų | 128 | 118.1 Ų | 118.1 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 136.2 | 175.2 | -21.2 | 31 | 0 | 0 | 0 | 111.3 | ||
| 893 | G | 59.6 | Low | 48.5 | Very low | 63 Ų | 63 | 117.4 Ų | 117.4 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 152.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P891 | P891-G893 PolarHBondContact O-N 3.13Š|
| 894 | P | 47.8 | Very low | 48 | Very low | 124 Ų | 124 | 117.2 Ų | 117.2 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 146.3 | -176.1 | 25.4 | -33.1 | 0 | 0 | 0 | 111.4 | G896 | P894-G896 PolarHBondContact O-N 3.47Š|
| 895 | P | 54.2 | Low | 47.5 | Very low | 128 Ų | 128 | 119.6 Ų | 119.6 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 134.1 | 176.6 | 22.7 | -30.5 | 0 | 0 | 0 | 110.5 | ||
| 896 | G | 52.4 | Low | 46.5 | Very low | 73 Ų | 73 | 118.5 Ų | 118.5 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 144.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | P894 | P894-G896 PolarHBondContact O-N 3.47Š|
| 897 | L | 44.5 | Very low | 45.8 | Very low | 171 Ų | 171 | 119.2 Ų | 119.2 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 139.1 | -178.2 | -73.7 | 159.6 | 0 | 0 | 0 | 111.8 | G899 | L897-G899 PolarHBondContact O-N 3Š|
| 898 | P | 47.3 | Very low | 45.2 | Very low | 109 Ų | 109 | 124.4 Ų | 124.4 | 71% | 0.708 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -66 | 126.1 | 177.1 | 25 | -30.7 | 0 | 0 | 0 | 110.5 | F900 | P898-F900 PolarHBondContact O-N 3.44Š|
| 899 | G | 38.9 | Very low | 44.3 | Very low | 79 Ų | 79 | 127.3 Ų | 127.3 | 81% | 0.814 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 118.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L897 C901 | L897-G899 PolarHBondContact O-N 3Å; G899-C901 PolarHBondContact O-N 3.27Å |
| 900 | F | 37.8 | Very low | 43.7 | Very low | 208 Ų | 208 | 126.7 Ų | 126.7 | 91% | 0.912 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -69 | 119.7 | 167.8 | -99.6 | -102.2 | 0 | 0 | 0 | 109.4 | P898 | P898-F900 PolarHBondContact O-N 3.44Š|
| 901 | C | 36.4 | Very low | 42.5 | Very low | 126 Ų | 126 | 127 Ų | 127 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 120.3 | 163 | -97.9 | 0 | 0 | 0 | 0 | 108.6 | G899 | G899-C901 PolarHBondContact O-N 3.27Š|
| 902 | E | 34.2 | Very low | 41.7 | Very low | 189 Ų | 189 | 129.7 Ų | 129.7 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 127 | 171.3 | -158.1 | 174.9 | -157 | 0 | 0 | 109.6 | A904 | E902-A904 PolarHBondContact O-N 3.21Š|
| 903 | P | 44.2 | Very low | 40.6 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -95.2 | 84.3 | -172.1 | 35.6 | -31 | 0 | 0 | 0 | 111 | ||||
| 904 | A | 42.4 | Very low | 39.3 | Very low | 85 Ų | 85 | 136.4 Ų | 136.4 | 70% | 0.702 | 83% | 0.832 | S | S | * | * | trans | -157.7 | 79.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111 | E902 | E902-A904 PolarHBondContact O-N 3.21Š| ||
| 905 | S | 40.4 | Very low | 38.7 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 86% | 0.86 | 83% | 0.833 | S | S | * | * | trans | -179.5 | 61.8 | 152.3 | -78.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 906 | C | 32.3 | Very low | 37.7 | Very low | 133 Ų | 133 | 141.6 Ų | 141.6 | 90% | 0.899 | 84% | 0.835 | S | S | * | * | trans | -140.1 | 84.2 | 168.2 | -93.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 907 | T | 37.8 | Very low | 37 | Very low | 130 Ų | 130 | 147.1 Ų | 147.1 | 80% | 0.798 | 84% | 0.838 | S | S | * | * | trans | -147.8 | 109 | 154.6 | 41.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 908 | M | 33.8 | Very low | 36.5 | Very low | 185 Ų | 185 | 142.4 Ų | 142.4 | 91% | 0.911 | 83% | 0.831 | S | S | * | * | trans | -158.4 | 132.7 | 136.6 | -84.9 | -44.4 | -102.5 | 0 | 0 | 109.9 | ||||
| 909 | Q | 33.7 | Very low | 36.9 | Very low | 189 Ų | 189 | 142.8 Ų | 142.8 | 88% | 0.883 | 83% | 0.834 | S | S | * | * | trans | -71.8 | 155.2 | -170.6 | -73.3 | 163.9 | -49.5 | 0 | 0 | 114.2 | ||||
| 910 | A | 37.9 | Very low | 36.7 | Very low | 107 Ų | 107 | 146.1 Ų | 146.1 | 88% | 0.884 | 83% | 0.833 | S | S | * | * | trans | -73.4 | 145.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 911 | G | 31.8 | Very low | 37.7 | Very low | 72 Ų | 72 | 145.7 Ų | 145.7 | 74% | 0.742 | 85% | 0.851 | S | S | * | * | trans | -170.3 | 88.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 912 | Q | 33.3 | Very low | 37.8 | Very low | 176 Ų | 176 | 146.7 Ų | 146.7 | 82% | 0.822 | 85% | 0.851 | S | S | * | * | trans | 56.2 | 123.3 | 138.8 | -64.3 | -176.5 | -8 | 0 | 0 | 124.8 | ||||
| 913 | R | 32.2 | Very low | 38 | Very low | 234 Ų | 234 | 144.5 Ų | 144.5 | 88% | 0.883 | 85% | 0.849 | S | S | * | * | trans | 58.8 | 141 | 133 | -71.6 | 178.4 | 169.3 | 175.4 | -4 | 119.1 | ||||
| 914 | A | 31.3 | Very low | 37.6 | Very low | 98 Ų | 98 | 145.5 Ų | 145.5 | 81% | 0.81 | 85% | 0.851 | S | S | * | * | cis | -158.9 | 160.5 | 32.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 915 | F | 35.3 | Very low | 37.3 | Very low | 191 Ų | 191 | 149.1 Ų | 149.1 | 84% | 0.838 | 86% | 0.86 | S | S | * | * | trans | -68.9 | 146.9 | 173.2 | -92.9 | -102 | 0 | 0 | 0 | 114.6 | ||||
| 916 | I | 33.3 | Very low | 37.1 | Very low | 170 Ų | 170 | 150.7 Ų | 150.7 | 87% | 0.872 | 86% | 0.86 | S | S | * | * | trans | -141.3 | 129 | 140.9 | -59.4 | -174.4 | 0 | 0 | 0 | 109.5 | ||||
| 917 | K | 37.9 | Very low | 37.5 | Very low | 188 Ų | 188 | 151.9 Ų | 151.9 | 82% | 0.817 | 86% | 0.857 | S | S | * | * | trans | -76 | 134.6 | 174.3 | -77 | 174.2 | 167 | 179.3 | 0 | 110.7 | ||||
| 918 | G | 34.4 | Very low | 37.4 | Very low | 72 Ų | 72 | 153.4 Ų | 153.4 | 74% | 0.742 | 86% | 0.861 | S | S | * | * | 108.5 | 170.5 | 86.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 919 | P | 56.3 | Low | 37.7 | Very low | 117 Ų | 117 | 151 Ų | 151 | 76% | 0.76 | 86% | 0.858 | S | S | * | * | cis | -133.2 | -177.8 | -22.2 | 40.9 | -22.8 | 0 | 0 | 0 | 115 | ||||
| 920 | D | 33.8 | Very low | 38.1 | Very low | 149 Ų | 149 | 147.8 Ų | 147.8 | 80% | 0.797 | 86% | 0.856 | S | S | * | * | trans | 128.3 | 139.7 | 145.4 | -76.3 | -10.7 | 0 | 0 | 0 | 117.4 | ||||
| 921 | P | 59.2 | Low | 38.1 | Very low | 200 Ų | 200 | 151.5 Ų | 151.5 | 100% | 1.299 | 85% | 0.853 | S | S | * | * | trans | -85.9 | 0 | -138.8 | 32.3 | -36.8 | 0 | 0 | 0 | 117.6 |
Retrieved 921 of 921 residues in 2919.5 ms
(Link to these results)