| 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 | 36.9 | Very low | 30.7 | Very low | 232 Ų | 232 | 159 Ų | 159 | 100% | 1.143 | 84% | 0.836 | S | S | * | * | 0 | 98.6 | 0 | -85.3 | 178.7 | 176.1 | 0 | 0 | 108.5 | |||||
| 2 | F | 27.9 | Very low | 30.4 | Very low | 224 Ų | 224 | 162.2 Ų | 162.2 | 98% | 0.982 | 84% | 0.838 | S | S | * | * | trans | -150 | 108 | 150.8 | -80.9 | -69.2 | 0 | 0 | 0 | 106.2 | ||||
| 3 | A | 31.4 | Very low | 30.5 | Very low | 90 Ų | 90 | 165.5 Ų | 165.5 | 74% | 0.744 | 83% | 0.833 | S | S | * | * | trans | -103.1 | 170.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 4 | L | 31.3 | Very low | 30.2 | Very low | 157 Ų | 157 | 167.2 Ų | 167.2 | 82% | 0.822 | 83% | 0.832 | S | S | * | * | trans | 97 | 119.7 | 179 | -53.5 | 166 | 0 | 0 | 0 | 112.2 | ||||
| 5 | N | 29.8 | Very low | 30.5 | Very low | 139 Ų | 139 | 164.1 Ų | 164.1 | 74% | 0.743 | 81% | 0.807 | S | S | * | * | cis | -155.9 | 151.1 | 14.8 | -109.9 | -22.9 | 0 | 0 | 0 | 111.9 | ||||
| 6 | P | 36.8 | Very low | 30.4 | Very low | 111 Ų | 111 | 161.9 Ų | 161.9 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | trans | -97.6 | 122.9 | 174.7 | 34.7 | -25.2 | 0 | 0 | 0 | 111 | ||||
| 7 | L | 29.3 | Very low | 30.6 | Very low | 157 Ų | 157 | 160.5 Ų | 160.5 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | -153.3 | 77.6 | 166 | -127 | 121.2 | 0 | 0 | 0 | 110.6 | ||||
| 8 | F | 28.7 | Very low | 30.7 | Very low | 205 Ų | 205 | 156.8 Ų | 156.8 | 90% | 0.899 | 78% | 0.777 | S | S | * | * | trans | -125.5 | 84.3 | 156.9 | -136.5 | -96.8 | 0 | 0 | 0 | 106.8 | A10 | F8-A10 PolarHBondContact O-N 3.14Š| ||
| 9 | Q | 27.4 | Very low | 30.7 | Very low | 172 Ų | 172 | 155.1 Ų | 155.1 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -64.8 | 103 | 168.4 | -72.3 | -127.2 | 40 | 0 | 0 | 107.2 | E11 | Q9-E11 VanDerWaalsContact C-N 3.33Å; Q9-E11 PolarHBondContact O-N 2.93Å | ||
| 10 | A | 30.2 | Very low | 30.8 | Very low | 82 Ų | 82 | 150.6 Ų | 150.6 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | trans | -65 | 97.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | F8 K12 | F8-A10 PolarHBondContact O-N 3.14Å; A10-K12 PolarHBondContact O-N 3.19Å | ||
| 11 | E | 27.5 | Very low | 30.9 | Very low | 180 Ų | 180 | 149.8 Ų | 149.8 | 84% | 0.841 | 76% | 0.755 | S | S | * | * | trans | -66.5 | 96.1 | 174.9 | -160.3 | 164.7 | -159.7 | 0 | 0 | 108.5 | Q9 R13 | Q9-E11 VanDerWaalsContact C-N 3.33Å; Q9-E11 PolarHBondContact O-N 2.93Å; E11-R13 VanDerWaalsContact C-N 3.26Å; E11-R13 PolarHBondContact O-N 2.83Å | ||
| 12 | K | 27.1 | Very low | 30.9 | Very low | 197 Ų | 197 | 141.7 Ų | 141.7 | 86% | 0.857 | 72% | 0.716 | S | S | * | * | trans | -66.1 | 86.1 | 175.1 | -70 | 179.7 | -177.4 | 176.8 | 0 | 108.5 | A10 K14 | A10-K12 PolarHBondContact O-N 3.19Å; K12-K14 PolarHBondContact O-N 3.11Å | ||
| 13 | R | 32.7 | Very low | 31.1 | Very low | 206 Ų | 206 | 135.5 Ų | 135.5 | 78% | 0.777 | 70% | 0.7 | S | S | * | * | trans | -59.3 | 103.8 | 165.5 | -88.3 | -177 | 174.2 | 176.6 | -2.1 | 108.1 | E11 R15 | E11-R13 VanDerWaalsContact C-N 3.26Å; E11-R13 PolarHBondContact O-N 2.83Å; R13-R15 PolarHBondContact O-N 3.04Å | ||
| 14 | K | 25.3 | Very low | 31.2 | Very low | 189 Ų | 189 | 137.2 Ų | 137.2 | 82% | 0.822 | 71% | 0.707 | S | S | * | * | trans | -63.8 | 87.8 | 165.8 | -70.3 | 179.5 | -179.6 | 177.2 | 0 | 107.8 | K12 K16 | K12-K14 PolarHBondContact O-N 3.11Å; K14-K16 PolarHBondContact O-N 2.64Å | ||
| 15 | R | 35.4 | Very low | 31.2 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 45% | 0.453 | 70% | 0.699 | S | S | . | * | trans | -71.4 | 109.9 | 170.4 | -68.2 | -179.6 | 177.4 | -173 | -6.9 | 106.9 | R13 Y17 | R13-R15 PolarHBondContact O-N 3.04Å; R15-Y17 WeakPolarHBondContact O-CD2 3.34Å; R15-Y17 WeakPolarHBondContact O-CE2 3.09Å; R15-Y17 PolarHBondContact O-N 2.73Å | ||
| 16 | K | 28.7 | Very low | 31.6 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 56% | 0.561 | 71% | 0.708 | S | S | * | * | trans | -74.3 | 100.9 | 170 | -60 | -172.2 | -150.5 | -167.3 | 0 | 106.3 | K14 G43 F44 | K14-K16 PolarHBondContact O-N 2.64Å; K16-G43 PolarHBondContact NZ-O 3.09Å; K16-F44 HydrophobicContact CD-CD1 3.96Å; K16-F44 HydrophobicContact CD-CE1 3.36Å; K16-F44 HydrophobicContact CD-CE2 4.12Å; K16-F44 HydrophobicContact CD-CZ 3.48Å; K16-F44 VanDerWaalsContact CD-CZ 3.48Å; K16-F44 VanDerWaalsContact CE-CE1 3.49Å; K16-F44 HydrophobicContact CG-CE1 3.68Å; K16-F44 HydrophobicContact CG-CZ 3.89Å; K16-F44 VanDerWaalsContact NZ-CD2 3.26Å | ||
| 17 | Y | 33.2 | Very low | 31.4 | Very low | 138 Ų | 138 | 130.5 Ų | 130.5 | 54% | 0.541 | 70% | 0.7 | S | S | . | * | trans | -63.9 | 138.9 | 174.6 | -59.2 | -81 | 0 | 0 | 0 | 109.2 | R15 V19 | R15-Y17 WeakPolarHBondContact O-CD2 3.34Å; R15-Y17 WeakPolarHBondContact O-CE2 3.09Å; R15-Y17 PolarHBondContact O-N 2.73Å; Y17-V19 PolarHBondContact O-N 3.41Å; Y17-V19 VanDerWaalsContact O-N 3.12Å | ||
| 18 | A | 32 | Very low | 31.5 | Very low | 95 Ų | 95 | 133 Ų | 133 | 79% | 0.785 | 70% | 0.7 | S | S | * | * | trans | -63.2 | 109 | 150.2 | 0 | 0 | 0 | 0 | 0 | 105.5 | V20 | A18-V20 PolarHBondContact O-N 2.88Š| ||
| 19 | V | 31.3 | Very low | 32.1 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 75% | 0.745 | 70% | 0.697 | S | S | * | * | trans | -62.6 | 110.2 | 170.4 | 176 | 0 | 0 | 0 | 0 | 105.6 | Y17 N21 | Y17-V19 PolarHBondContact O-N 3.41Å; Y17-V19 VanDerWaalsContact O-N 3.12Å; V19-N21 VanDerWaalsContact C-N 3.29Å; V19-N21 PolarHBondContact O-N 2.95Å | ||
| 20 | V | 33.9 | Very low | 32.9 | Very low | 65 Ų | 65 | 128 Ų | 128 | 39% | 0.394 | 69% | 0.687 | S | S | . | * | trans | -63.4 | 99.8 | 167.8 | -175.5 | 0 | 0 | 0 | 0 | 105.4 | A18 I22 P33 | A18-V20 PolarHBondContact O-N 2.88Å; V20-I22 VanDerWaalsContact C-N 3.3Å; V20-I22 HydrophobicContact CB-CG1 4.46Å; V20-I22 HydrophobicContact CG1-CD1 4.18Å; V20-I22 HydrophobicContact CG1-CG1 3.67Å; V20-I22 PolarHBondContact O-N 2.85Å; V20-P33 HydrophobicContact CG1-CB 3.95Å; V20-P33 HydrophobicContact CG1-CG 3.59Å | ||
| 21 | N | 32.1 | Very low | 33.6 | Very low | 135 Ų | 135 | 130.7 Ų | 130.7 | 72% | 0.722 | 69% | 0.685 | S | S | * | * | trans | -80.7 | 85.7 | -178.4 | -152.6 | -4.4 | 0 | 0 | 0 | 107.4 | V19 S23 | V19-N21 VanDerWaalsContact C-N 3.29Å; V19-N21 PolarHBondContact O-N 2.95Å; N21-S23 PolarHBondContact O-N 2.83Å | ||
| 22 | I | 37.1 | Very low | 34.6 | Very low | 61 Ų | 61 | 124.3 Ų | 124.3 | 31% | 0.313 | 66% | 0.659 | S | S | . | * | trans | -78.4 | 79.5 | 175.6 | -52.1 | 177.2 | 0 | 0 | 0 | 106.8 | V20 S24 P33 S114 D116 | V20-I22 VanDerWaalsContact C-N 3.3Å; V20-I22 HydrophobicContact CB-CG1 4.46Å; V20-I22 HydrophobicContact CG1-CD1 4.18Å; V20-I22 HydrophobicContact CG1-CG1 3.67Å; V20-I22 PolarHBondContact O-N 2.85Å; I22-S24 PolarHBondContact O-N 2.8Å; I22-S24 VanDerWaalsContact O-N 3.08Å; I22-P33 HydrophobicContact CG1-CB 4.36Å; I22-S114 VanDerWaalsContact CD1-OG 3.22Å; I22-S114 WeakPolarHBondContact CD1-OG 3.14Å; I22-D116 WeakPolarHBondContact CD1-OD1 3.37Å | ||
| 23 | S | 32.4 | Very low | 35.9 | Very low | 95 Ų | 95 | 116 Ų | 116 | 66% | 0.664 | 63% | 0.626 | S | S | * | * | trans | -66.2 | 110.7 | 169.2 | 58.6 | 0 | 0 | 0 | 0 | 108 | N21 A25 | N21-S23 PolarHBondContact O-N 2.83Å; S23-A25 PolarHBondContact O-N 2.97Å | ||
| 24 | S | 33.4 | Very low | 36.7 | Very low | 125 Ų | 125 | 113.1 Ų | 113.1 | 87% | 0.874 | 62% | 0.619 | S | S | * | * | trans | -67.4 | 79.4 | 173.3 | 11.8 | 0 | 0 | 0 | 0 | 109.5 | I22 | I22-S24 PolarHBondContact O-N 2.8Å; I22-S24 VanDerWaalsContact O-N 3.08Å | ||
| 25 | A | 30.4 | Very low | 37.8 | Very low | 79 Ų | 79 | 105.9 Ų | 105.9 | 65% | 0.653 | 59% | 0.587 | S | S | * | * | trans | -92.1 | 112.2 | 160.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | S23 G27 | S23-A25 PolarHBondContact O-N 2.97Å; A25-G27 PolarHBondContact O-N 3.46Å | ||
| 26 | S | 37.6 | Very low | 37.8 | Very low | 136 Ų | 136 | 106.4 Ų | 106.4 | 95% | 0.951 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -50.2 | 118.2 | 172.4 | -174.5 | 0 | 0 | 0 | 0 | 110.7 | ||
| 27 | G | 33.2 | Very low | 38.1 | Very low | 52 Ų | 52 | 104.9 Ų | 104.9 | 54% | 0.536 | 60% | 0.595 | S | S | . | * | S | Bend | trans | 132.6 | 116.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A25 | A25-G27 PolarHBondContact O-N 3.46Š|
| 28 | Y | 32.5 | Very low | 37.8 | Very low | 209 Ų | 209 | 105.7 Ų | 105.7 | 82% | 0.82 | 60% | 0.603 | S | S | * | * | trans | 83.6 | 72.3 | -177.3 | -47.3 | -70.9 | 0 | 0 | 0 | 116 | N30 | Y28-N30 PolarHBondContact O-N 2.86Š| ||
| 29 | L | 40.7 | Very low | 37.7 | Very low | 160 Ų | 160 | 110 Ų | 110 | 84% | 0.838 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | 126 | 160.2 | -151.3 | 73.3 | 0 | 0 | 0 | 108 | ||
| 30 | N | 44.2 | Very low | 37.4 | Very low | 112 Ų | 112 | 107.6 Ų | 107.6 | 60% | 0.599 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 94.9 | 32.7 | 174.8 | -43.8 | -58.4 | 0 | 0 | 0 | 119 | Y28 | Y28-N30 PolarHBondContact O-N 2.86Š|
| 31 | Q | 44.8 | Very low | 37.4 | Very low | 139 Ų | 139 | 116 Ų | 116 | 65% | 0.65 | 63% | 0.629 | S | S | * | * | trans | -110 | 143.9 | 158.6 | -75.2 | 178.8 | -2.1 | 0 | 0 | 110.5 | W111 | Q31-W111 PolarHBondContact O-NE1 2.74Š| ||
| 32 | P | 48.9 | Very low | 37.2 | Very low | 45 Ų | 45 | 115.9 Ų | 115.9 | 29% | 0.292 | 63% | 0.633 | S | S | . | * | P | Polyproline II helix | trans | -57.1 | 140.4 | 167.6 | 25.9 | -32.4 | 0 | 0 | 0 | 108.9 | K34 F35 W111 | P32-K34 PolarHBondContact O-N 3.31Å; P32-F35 HydrophobicContact CB-CE2 4.25Å; P32-W111 HydrophobicContact CB-CB 4.36Å; P32-W111 HydrophobicContact CB-CD2 3.95Å; P32-W111 HydrophobicContact CB-CE3 4.33Å; P32-W111 HydrophobicContact CB-CG 3.95Å |
| 33 | P | 54.3 | Low | 37 | Very low | 24 Ų | 24 | 116 Ų | 116 | 16% | 0.156 | 65% | 0.649 | C | S | . | * | P | Polyproline II helix | trans | -57.5 | 141.7 | 177.9 | 22.6 | -31 | 0 | 0 | 0 | 109.9 | V20 I22 F35 W111 | V20-P33 HydrophobicContact CG1-CB 3.95Å; V20-P33 HydrophobicContact CG1-CG 3.59Å; I22-P33 HydrophobicContact CG1-CB 4.36Å; P33-F35 HydrophobicContact CG-CZ 4.44Å; P33-F35 WeakPolarHBondContact O-CD2 3.44Å; P33-F35 WeakPolarHBondContact O-CE2 3.43Å; P33-F35 PolarHBondContact O-N 2.9Å; P33-W111 VanDerWaalsContact CD-CZ2 3.4Å; P33-W111 HydrophobicContact CG-CH2 4.35Å; P33-W111 HydrophobicContact CG-CZ2 4.3Å |
| 34 | K | 49.7 | Very low | 37 | Very low | 144 Ų | 144 | 118.8 Ų | 118.8 | 63% | 0.626 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 120.1 | 173.4 | -64.7 | -163.3 | 173.1 | -148.4 | 0 | 109 | P32 K36 D89 | P32-K34 PolarHBondContact O-N 3.31Å; K34-K36 VanDerWaalsContact C-N 3.32Å; K34-K36 PolarHBondContact O-N 2.88Å; K34-D89 PolarHBondContact NZ-O 2.63Å |
| 35 | F | 47.2 | Very low | 36.5 | Very low | 37 Ų | 37 | 118 Ų | 118 | 16% | 0.162 | 65% | 0.65 | C | S | . | * | trans | -87.2 | 74.1 | -174.1 | -72 | -85.9 | 0 | 0 | 0 | 109.7 | P32 P33 T37 D91 V94 F96 V190 | P32-F35 HydrophobicContact CB-CE2 4.25Å; P33-F35 HydrophobicContact CG-CZ 4.44Å; P33-F35 WeakPolarHBondContact O-CD2 3.44Å; P33-F35 WeakPolarHBondContact O-CE2 3.43Å; P33-F35 PolarHBondContact O-N 2.9Å; F35-T37 PolarHBondContact O-N 2.84Å; F35-T37 VanDerWaalsContact O-N 3.1Å; F35-D91 VanDerWaalsContact C-OD2 3.29Å; F35-D91 PolarHBondContact N-OD2 3.11Å; F35-D91 VanDerWaalsContact N-OD2 3.08Å; F35-V94 HydrophobicContact CD2-CB 4.5Å; F35-V94 HydrophobicContact CD2-CG2 3.5Å; F35-V94 VanDerWaalsContact CD2-CG2 3.5Å; F35-V94 HydrophobicContact CE2-CB 4.19Å; F35-V94 HydrophobicContact CE2-CG1 4.38Å; F35-V94 HydrophobicContact CE2-CG2 3.63Å; F35-V94 HydrophobicContact CG-CG2 4.23Å; F35-V94 HydrophobicContact CZ-CG1 4.44Å; F35-V94 HydrophobicContact CZ-CG2 4.46Å; F35-F96 HydrophobicContact CZ-CE1 4.39Å; F35-F96 HydrophobicContact CZ-CZ 4.43Å; F35-V190 HydrophobicContact CB-CG2 4.41Å | ||
| 36 | K | 37.2 | Very low | 36.4 | Very low | 132 Ų | 132 | 121.1 Ų | 121.1 | 57% | 0.574 | 66% | 0.661 | S | S | * | * | trans | -59.7 | 116.7 | -178.1 | -63.3 | -171 | -177.4 | -178.4 | 0 | 112 | K34 H38 | K34-K36 VanDerWaalsContact C-N 3.32Å; K34-K36 PolarHBondContact O-N 2.88Å; K36-H38 VanDerWaalsContact CD-NE2 3.29Å; K36-H38 WeakPolarHBondContact CD-NE2 3.35Å; K36-H38 PolarHBondContact O-N 3.09Å; K36-H38 VanDerWaalsContact O-N 3.16Å | ||
| 37 | T | 33.7 | Very low | 35.7 | Very low | 97 Ų | 97 | 123.4 Ų | 123.4 | 60% | 0.595 | 66% | 0.659 | S | S | * | * | trans | -79 | 86.5 | 162.4 | 53.7 | 0 | 0 | 0 | 0 | 109.3 | F35 F39 | F35-T37 PolarHBondContact O-N 2.84Å; F35-T37 VanDerWaalsContact O-N 3.1Å; T37-F39 PolarHBondContact O-N 3.14Å | ||
| 38 | H | 27.8 | Very low | 35.4 | Very low | 154 Ų | 154 | 125.9 Ų | 125.9 | 71% | 0.713 | 67% | 0.674 | S | S | * | * | trans | -78.6 | 112 | 173.5 | -83.8 | -67.3 | 0 | 0 | 0 | 111.1 | K36 | K36-H38 VanDerWaalsContact CD-NE2 3.29Å; K36-H38 WeakPolarHBondContact CD-NE2 3.35Å; K36-H38 PolarHBondContact O-N 3.09Å; K36-H38 VanDerWaalsContact O-N 3.16Å | ||
| 39 | F | 28.7 | Very low | 35.3 | Very low | 187 Ų | 187 | 122.1 Ų | 122.1 | 82% | 0.82 | 67% | 0.673 | S | S | * | * | trans | -98 | 128.2 | 166.6 | -123.7 | -95.7 | 0 | 0 | 0 | 109.9 | T37 L198 | T37-F39 PolarHBondContact O-N 3.14Å; F39-L198 HydrophobicContact CE2-CD2 4.06Å; F39-L198 HydrophobicContact CZ-CD2 3.87Å | ||
| 40 | G | 25.2 | Very low | 34.8 | Very low | 71 Ų | 71 | 122.6 Ų | 122.6 | 73% | 0.732 | 67% | 0.669 | S | S | * | * | trans | 168 | 89.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 41 | R | 33.3 | Very low | 33.9 | Very low | 241 Ų | 241 | 124.6 Ų | 124.6 | 91% | 0.909 | 67% | 0.674 | S | S | * | * | S | Bend | trans | 56.3 | 119.1 | 150.7 | -76 | 176.4 | 175.8 | 172.9 | -1.6 | 120 | ||
| 42 | T | 28.7 | Very low | 33.6 | Very low | 134 Ų | 134 | 127.3 Ų | 127.3 | 82% | 0.822 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 53.4 | 93.6 | -178.1 | 58.8 | 0 | 0 | 0 | 0 | 112.6 | F44 | T42-F44 VanDerWaalsContact C-N 3.32Å; T42-F44 PolarHBondContact O-N 3.2Å |
| 43 | G | 32.6 | Very low | 32.4 | Very low | 62 Ų | 62 | 131.2 Ų | 131.2 | 64% | 0.639 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -66.7 | 81.1 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | K16 | K16-G43 PolarHBondContact NZ-O 3.09Š|
| 44 | F | 32.2 | Very low | 31.5 | Very low | 155 Ų | 155 | 135.7 Ų | 135.7 | 68% | 0.68 | 74% | 0.736 | S | S | * | * | trans | 179.7 | 125.4 | 151.3 | -83.9 | -68.2 | 0 | 0 | 0 | 107.1 | K16 T42 | K16-F44 HydrophobicContact CD-CD1 3.96Å; K16-F44 HydrophobicContact CD-CE1 3.36Å; K16-F44 HydrophobicContact CD-CE2 4.12Å; K16-F44 HydrophobicContact CD-CZ 3.48Å; K16-F44 VanDerWaalsContact CD-CZ 3.48Å; K16-F44 VanDerWaalsContact CE-CE1 3.49Å; K16-F44 HydrophobicContact CG-CE1 3.68Å; K16-F44 HydrophobicContact CG-CZ 3.89Å; K16-F44 VanDerWaalsContact NZ-CD2 3.26Å; T42-F44 VanDerWaalsContact C-N 3.32Å; T42-F44 PolarHBondContact O-N 3.2Å | ||
| 45 | A | 24.4 | Very low | 30.4 | Very low | 108 Ų | 108 | 139.6 Ų | 139.6 | 89% | 0.893 | 75% | 0.747 | S | S | * | * | trans | -143.9 | 132.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 46 | V | 27.6 | Very low | 29.5 | Very low | 144 Ų | 144 | 149.2 Ų | 149.2 | 87% | 0.873 | 78% | 0.782 | S | S | * | * | trans | -87.8 | 157.6 | 175.3 | 168.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 47 | M | 23.4 | Very low | 29.3 | Very low | 185 Ų | 185 | 150.7 Ų | 150.7 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | trans | -49.5 | 140.7 | -179.9 | -67.8 | -70.6 | -179.5 | 0 | 0 | 115.1 | ||||
| 48 | A | 25.5 | Very low | 29.3 | Very low | 104 Ų | 104 | 155.4 Ų | 155.4 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -132.5 | 135.6 | 157.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 49 | T | 32.2 | Very low | 29.6 | Very low | 129 Ų | 129 | 156.6 Ų | 156.6 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | trans | -80.5 | 154.7 | -175.5 | 49.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 50 | K | 29.4 | Very low | 29.6 | Very low | 171 Ų | 171 | 154.6 Ų | 154.6 | 74% | 0.743 | 81% | 0.812 | S | S | * | * | trans | 97.3 | 125.1 | 145.7 | -84.2 | 179.2 | 162.2 | -136.6 | 0 | 121 | ||||
| 51 | E | 26.3 | Very low | 30 | Very low | 153 Ų | 153 | 157.4 Ų | 157.4 | 72% | 0.715 | 81% | 0.808 | S | S | * | * | trans | 93.3 | 117.7 | 131.3 | -70.9 | 173.3 | -155 | 0 | 0 | 120.6 | ||||
| 52 | K | 36.7 | Very low | 30 | Very low | 197 Ų | 197 | 152.8 Ų | 152.8 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | trans | -65.2 | 155.9 | 167.4 | -71.6 | 174.8 | 174.1 | 175.3 | 0 | 110.2 | ||||
| 53 | P | 25.3 | Very low | 30.2 | Very low | 127 Ų | 127 | 156 Ų | 156 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | -137.4 | 150.2 | 113 | 27.7 | -10.3 | 0 | 0 | 0 | 114.8 | |||||
| 54 | T | 33.8 | Very low | 30.1 | Very low | 117 Ų | 117 | 158.9 Ų | 158.9 | 72% | 0.718 | 81% | 0.81 | S | S | * | * | trans | -75.4 | 149.6 | 172.2 | 38.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 55 | R | 28.3 | Very low | 30.3 | Very low | 227 Ų | 227 | 160 Ų | 160 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | trans | 173.4 | 112 | 137.3 | -94.4 | 156.4 | -170.1 | -147.1 | 4.1 | 109.9 | ||||
| 56 | R | 27.3 | Very low | 30.7 | Very low | 239 Ų | 239 | 164 Ų | 164 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | 86.2 | 104.2 | 96.5 | -80.6 | -168.9 | -176 | -161.1 | 0.9 | 113 | |||||
| 57 | L | 34.1 | Very low | 31.1 | Very low | 163 Ų | 163 | 162.3 Ų | 162.3 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -63 | 131.2 | 165.1 | -169.7 | 77.2 | 0 | 0 | 0 | 110.6 | ||||
| 58 | Q | 32.5 | Very low | 31.5 | Very low | 195 Ų | 195 | 158.5 Ų | 158.5 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | trans | -139.2 | 129.5 | 159.8 | -97.4 | -178.6 | -14.6 | 0 | 0 | 110.7 | ||||
| 59 | K | 34.2 | Very low | 32.1 | Very low | 180 Ų | 180 | 159.1 Ų | 159.1 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | -87.2 | 145.2 | 172.6 | -72.5 | 174.9 | 172.2 | 177.6 | 0 | 110.5 | ||||
| 60 | N | 29.2 | Very low | 32.7 | Very low | 144 Ų | 144 | 161.1 Ų | 161.1 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | -176.8 | 118.8 | 136 | -110.7 | -27.4 | 0 | 0 | 0 | 109.6 | ||||
| 61 | I | 32.6 | Very low | 33 | Very low | 130 Ų | 130 | 158.7 Ų | 158.7 | 67% | 0.667 | 79% | 0.793 | S | S | * | * | 75.2 | 105.2 | 74.7 | -60 | -178.2 | 0 | 0 | 0 | 114.3 | |||||
| 62 | N | 34.5 | Very low | 33.8 | Very low | 145 Ų | 145 | 156.7 Ų | 156.7 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | trans | 67.9 | 142.2 | 138.4 | -53.3 | -1.3 | 0 | 0 | 0 | 124.2 | ||||
| 63 | K | 32.6 | Very low | 34.1 | Very low | 202 Ų | 202 | 151.4 Ų | 151.4 | 88% | 0.878 | 78% | 0.784 | S | S | * | * | trans | 123.4 | 145.9 | 150.5 | -74.8 | -179.6 | 173.8 | 177.2 | 0 | 111.2 | ||||
| 64 | T | 30.4 | Very low | 34.8 | Very low | 121 Ų | 121 | 148.6 Ų | 148.6 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | cis | -168 | 147.3 | -12.4 | -87 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 65 | F | 35.7 | Very low | 35.2 | Very low | 178 Ų | 178 | 148.6 Ų | 148.6 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | trans | -69.3 | 121.8 | 177.5 | -178 | -103.3 | 0 | 0 | 0 | 111.4 | V67 | F65-V67 HydrophobicContact CD1-CG2 4.06Å; F65-V67 HydrophobicContact CE1-CG2 3.24Å; F65-V67 HydrophobicContact CE2-CG2 3.87Å; F65-V67 HydrophobicContact CZ-CG2 3.13Å | ||
| 66 | E | 32.8 | Very low | 35.8 | Very low | 192 Ų | 192 | 145.8 Ų | 145.8 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | trans | -128.1 | 130.6 | 156.6 | -87 | -163.9 | 165.6 | 0 | 0 | 109.4 | ||||
| 67 | V | 35.7 | Very low | 36.3 | Very low | 109 Ų | 109 | 142.6 Ų | 142.6 | 66% | 0.661 | 76% | 0.763 | S | S | * | * | trans | -95.7 | 121.9 | 178.1 | 167.6 | 0 | 0 | 0 | 0 | 107.8 | F65 | F65-V67 HydrophobicContact CD1-CG2 4.06Å; F65-V67 HydrophobicContact CE1-CG2 3.24Å; F65-V67 HydrophobicContact CE2-CG2 3.87Å; F65-V67 HydrophobicContact CZ-CG2 3.13Å | ||
| 68 | S | 33.2 | Very low | 36.6 | Very low | 106 Ų | 106 | 144 Ų | 144 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | trans | -152.2 | 135.1 | 146 | 59.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 69 | S | 38.3 | Very low | 36.8 | Very low | 116 Ų | 116 | 141.9 Ų | 141.9 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | trans | 63.8 | 106.5 | 149.5 | -54.8 | 0 | 0 | 0 | 0 | 118.9 | D71 | S69-D71 PolarHBondContact O-N 3.26Š| ||
| 70 | I | 43.3 | Very low | 37.1 | Very low | 172 Ų | 172 | 141.8 Ų | 141.8 | 88% | 0.882 | 76% | 0.756 | S | S | * | * | trans | -58.5 | 115 | 173.4 | -63.9 | 158.9 | 0 | 0 | 0 | 109.8 | ||||
| 71 | D | 35.8 | Very low | 37.4 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | trans | -95.3 | 133.8 | 157.9 | -175 | 25.2 | 0 | 0 | 0 | 108.9 | S69 S73 | S69-D71 PolarHBondContact O-N 3.26Å; D71-S73 PolarHBondContact O-N 3.13Å; D71-S73 PolarHBondContact OD2-OG 3.09Å | ||
| 72 | S | 43 | Very low | 37.7 | Very low | 111 Ų | 111 | 143 Ų | 143 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | 22.1 | -167 | -124.5 | 0 | 0 | 0 | 0 | 113.9 | ||
| 73 | S | 43.5 | Very low | 38.1 | Very low | 86 Ų | 86 | 140.5 Ų | 140.5 | 60% | 0.601 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | -6.1 | 176.6 | 65.6 | 0 | 0 | 0 | 0 | 113.6 | D71 V75 | D71-S73 PolarHBondContact O-N 3.13Å; D71-S73 PolarHBondContact OD2-OG 3.09Å; S73-V75 VanDerWaalsContact C-N 3.31Å; S73-V75 PolarHBondContact O-N 2.82Å |
| 74 | A | 40.7 | Very low | 38.7 | Very low | 68 Ų | 68 | 137.4 Ų | 137.4 | 56% | 0.562 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 30 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 75 | V | 41.4 | Very low | 39.3 | Very low | 117 Ų | 117 | 139.8 Ų | 139.8 | 71% | 0.709 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | -5.8 | 176.1 | -141.5 | 0 | 0 | 0 | 0 | 113.3 | S73 | S73-V75 VanDerWaalsContact C-N 3.31Å; S73-V75 PolarHBondContact O-N 2.82Å |
| 76 | E | 40.7 | Very low | 39.6 | Very low | 168 Ų | 168 | 138.7 Ų | 138.7 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -93.8 | -19.4 | 176.1 | -63.2 | -160.7 | 153.3 | 0 | 0 | 113.8 | K78 | E76-K78 PolarHBondContact O-N 3.2Š|
| 77 | E | 38.6 | Very low | 40.2 | Very low | 173 Ų | 173 | 135.1 Ų | 135.1 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -3.9 | -177.8 | -79.8 | -163 | 144.3 | 0 | 0 | 115.3 | ||
| 78 | K | 40.7 | Very low | 40.7 | Very low | 193 Ų | 193 | 138.1 Ų | 138.1 | 84% | 0.839 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | 2.6 | -178.7 | -83.5 | -175.6 | 177.3 | 175.1 | 0 | 115.7 | E76 | E76-K78 PolarHBondContact O-N 3.2Š|
| 79 | L | 37 | Very low | 41.8 | Very low | 150 Ų | 150 | 137.4 Ų | 137.4 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -106.1 | -14.1 | 176.2 | -74.4 | 170.7 | 0 | 0 | 0 | 114.4 | ||
| 80 | F | 38.8 | Very low | 42.7 | Very low | 177 Ų | 177 | 138.6 Ų | 138.6 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -108.3 | 89 | 172.9 | -59.4 | -75.8 | 0 | 0 | 0 | 108 | R82 | F80-R82 PolarHBondContact O-N 2.9Š|
| 81 | G | 35.5 | Very low | 44 | Very low | 70 Ų | 70 | 132.3 Ų | 132.3 | 72% | 0.722 | 71% | 0.71 | S | S | * | * | trans | -47 | 137.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | A83 | G81-A83 PolarHBondContact O-N 3.45Š| ||
| 82 | R | 38.9 | Very low | 46.2 | Very low | 230 Ų | 230 | 127.6 Ų | 127.6 | 87% | 0.868 | 69% | 0.69 | S | S | * | * | trans | -35.7 | 109.8 | 174.1 | -77.4 | -178.8 | 176.5 | -176.6 | -3.3 | 110.1 | F80 D84 | F80-R82 PolarHBondContact O-N 2.9Å; R82-D84 PolarHBondContact O-N 3.14Å | ||
| 83 | A | 44.1 | Very low | 48.5 | Very low | 92 Ų | 92 | 125.7 Ų | 125.7 | 76% | 0.76 | 67% | 0.674 | S | S | * | * | trans | -81.1 | 52.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | G81 K85 | G81-A83 PolarHBondContact O-N 3.45Å; A83-K85 PolarHBondContact O-N 3.34Å; A83-K85 VanDerWaalsContact O-N 3.14Å | ||
| 84 | D | 44.9 | Very low | 50.9 | Low | 137 Ų | 137 | 121.7 Ų | 121.7 | 73% | 0.733 | 65% | 0.646 | S | S | * | * | trans | -82.3 | 62.8 | 151.1 | -68.3 | -32.7 | 0 | 0 | 0 | 106 | R82 | R82-D84 PolarHBondContact O-N 3.14Š| ||
| 85 | K | 43.2 | Very low | 53.6 | Low | 172 Ų | 172 | 120 Ų | 120 | 75% | 0.748 | 63% | 0.629 | S | S | * | * | trans | -86.1 | 104.1 | 156 | -72.1 | -174.5 | -179.3 | 176.6 | 0 | 103.6 | A83 V87 | A83-K85 PolarHBondContact O-N 3.34Å; A83-K85 VanDerWaalsContact O-N 3.14Å; K85-V87 HydrophobicContact CB-CG2 4.3Å; K85-V87 WeakPolarHBondContact O-CG2 3.45Å; K85-V87 PolarHBondContact O-N 3.45Å | ||
| 86 | D | 42.3 | Very low | 56.2 | Low | 154 Ų | 154 | 114.7 Ų | 114.7 | 82% | 0.824 | 60% | 0.596 | S | S | * | * | trans | -47.9 | 93.8 | 143.1 | -66.9 | -50.2 | 0 | 0 | 0 | 105 | E88 | D86-E88 PolarHBondContact O-N 2.92Š| ||
| 87 | V | 45.8 | Very low | 58.9 | Low | 117 Ų | 117 | 108 Ų | 108 | 71% | 0.709 | 57% | 0.566 | S | S | * | * | trans | -69.7 | 88.7 | 172.8 | -167.7 | 0 | 0 | 0 | 0 | 102.5 | K85 D89 | K85-V87 HydrophobicContact CB-CG2 4.3Å; K85-V87 WeakPolarHBondContact O-CG2 3.45Å; K85-V87 PolarHBondContact O-N 3.45Å; V87-D89 PolarHBondContact O-N 3.18Å | ||
| 88 | E | 45.7 | Very low | 61.7 | Low | 173 Ų | 173 | 99.8 Ų | 99.8 | 81% | 0.808 | 53% | 0.527 | S | S | * | . | trans | -53 | 100.3 | 156.7 | -71 | -119.9 | 163.5 | 0 | 0 | 104.3 | D86 D90 | D86-E88 PolarHBondContact O-N 2.92Å; E88-D90 PolarHBondContact O-N 2.78Å | ||
| 89 | D | 55.3 | Low | 64.3 | Low | 90 Ų | 90 | 91.1 Ų | 91.1 | 48% | 0.481 | 49% | 0.493 | S | S | . | . | trans | -68.7 | 69.8 | 175.3 | -146.9 | 25.7 | 0 | 0 | 0 | 105.9 | K34 V87 D91 | K34-D89 PolarHBondContact NZ-O 2.63Å; V87-D89 PolarHBondContact O-N 3.18Å; D89-D91 PolarHBondContact O-N 3.3Å | ||
| 90 | D | 57.8 | Low | 67.1 | Low | 142 Ų | 142 | 91.2 Ų | 91.2 | 76% | 0.759 | 49% | 0.487 | S | S | * | . | trans | -90.7 | 85.2 | 168.4 | -164.9 | 41.9 | 0 | 0 | 0 | 105.5 | E88 G92 | E88-D90 PolarHBondContact O-N 2.78Å; D90-G92 PolarHBondContact O-N 2.84Å; D90-G92 VanDerWaalsContact O-N 3.16Å | ||
| 91 | D | 71.3 | Confident | 69.9 | Low | 39 Ų | 39 | 84.7 Ų | 84.7 | 21% | 0.209 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -49.5 | 123.7 | 167.3 | -75.7 | -43.3 | 0 | 0 | 0 | 107.6 | F35 D89 V190 | F35-D91 VanDerWaalsContact C-OD2 3.29Å; F35-D91 PolarHBondContact N-OD2 3.11Å; F35-D91 VanDerWaalsContact N-OD2 3.08Å; D89-D91 PolarHBondContact O-N 3.3Å; D91-V190 HydrophobicContact CB-CG1 4.41Å |
| 92 | G | 81.9 | Confident | 72.8 | Confident | 21 Ų | 21 | 89.1 Ų | 89.1 | 22% | 0.216 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -56 | 168.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D90 V94 V190 | D90-G92 PolarHBondContact O-N 2.84Å; D90-G92 VanDerWaalsContact O-N 3.16Å; G92-V94 PolarHBondContact O-N 2.92Å; G92-V190 WeakPolarHBondContact O-CG1 3.38Å |
| 93 | P | 91 | Very high | 75.6 | Confident | 70 Ų | 70 | 80.2 Ų | 80.2 | 46% | 0.455 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 142.2 | -179.1 | 18.3 | -28.7 | 0 | 0 | 0 | 112 | L191 | P93-L191 HydrophobicContact CB-CD1 4.45Å; P93-L191 HydrophobicContact CG-CB 4.13Å; P93-L191 HydrophobicContact CG-CD1 3.98Å; P93-L191 HydrophobicContact CG-CG 4.44Å; P93-L191 WeakPolarHBondContact O-CB 3.36Å; P93-L191 WeakPolarHBondContact O-CG 3.44Å; P93-L191 PolarHBondContact O-N 3.38Å |
| 94 | V | 93.9 | Very high | 78.1 | Confident | 3 Ų | 3 | 78.6 Ų | 78.6 | 2% | 0.018 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 130.3 | -175.3 | -176.5 | 0 | 0 | 0 | 0 | 110.2 | F35 G92 F96 D107 S108 Y189 V190 | F35-V94 HydrophobicContact CD2-CB 4.5Å; F35-V94 HydrophobicContact CD2-CG2 3.5Å; F35-V94 VanDerWaalsContact CD2-CG2 3.5Å; F35-V94 HydrophobicContact CE2-CB 4.19Å; F35-V94 HydrophobicContact CE2-CG1 4.38Å; F35-V94 HydrophobicContact CE2-CG2 3.63Å; F35-V94 HydrophobicContact CG-CG2 4.23Å; F35-V94 HydrophobicContact CZ-CG1 4.44Å; F35-V94 HydrophobicContact CZ-CG2 4.46Å; G92-V94 PolarHBondContact O-N 2.92Å; V94-F96 HydrophobicContact CG1-CE1 4.17Å; V94-F96 HydrophobicContact CG1-CZ 4.42Å; V94-D107 CarbonylContact O-C 3.59Å; V94-D107 WeakPolarHBondContact O-CA 3.27Å; V94-D107 WeakPolarHBondContact O-CB 3.5Å; V94-S108 PolarHBondContact N-OG 2.8Å; V94-S108 PolarHBondContact O-N 2.9Å; V94-Y189 CarbonylContact C-O 3.59Å; V94-Y189 WeakPolarHBondContact CA-O 3.43Å; V94-V190 HydrophobicContact CG2-CG2 4Å |
| 95 | V | 95.9 | Very high | 80.6 | Confident | 32 Ų | 32 | 72 Ų | 72 | 19% | 0.194 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 127.2 | 172.4 | -177.4 | 0 | 0 | 0 | 0 | 108.8 | I97 P104 S188 Y189 L191 | V95-I97 HydrophobicContact CG1-CG1 4.06Å; V95-P104 HydrophobicContact CG1-CB 4.16Å; V95-S188 CarbonylContact O-C 3.5Å; V95-S188 WeakPolarHBondContact O-CA 3.44Å; V95-Y189 PolarHBondContact N-O 3.48Å; V95-Y189 PolarHBondContact O-N 2.82Å; V95-L191 HydrophobicContact CG2-CD1 4.05Å; V95-L191 HydrophobicContact CG2-CD2 3.94Å; V95-L191 HydrophobicContact CG2-CG 3.97Å |
| 96 | F | 97.1 | Very high | 83.2 | Confident | 6 Ų | 6 | 64 Ų | 64 | 3% | 0.026 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 135 | 172.5 | -57.4 | -69.4 | 0 | 0 | 0 | 110 | F35 V94 I105 G106 W111 I121 L123 I186 D187 | F35-F96 HydrophobicContact CZ-CE1 4.39Å; F35-F96 HydrophobicContact CZ-CZ 4.43Å; V94-F96 HydrophobicContact CG1-CE1 4.17Å; V94-F96 HydrophobicContact CG1-CZ 4.42Å; F96-I105 HydrophobicContact CB-CG1 4.11Å; F96-I105 VanDerWaalsContact O-CG1 3.25Å; F96-I105 WeakPolarHBondContact O-CG1 3.26Å; F96-I105 PolarHBondContact O-N 3.38Å; F96-G106 PolarHBondContact N-O 2.76Å; F96-G106 PolarHBondContact O-N 2.58Å; F96-W111 HydrophobicContact CZ-CE3 4.18Å; F96-W111 HydrophobicContact CZ-CZ3 4.08Å; F96-I121 HydrophobicContact CD1-CD1 3.69Å; F96-I121 HydrophobicContact CD2-CD1 4.21Å; F96-I121 HydrophobicContact CE1-CD1 3.53Å; F96-I121 HydrophobicContact CE2-CD1 4.07Å; F96-I121 HydrophobicContact CG-CD1 4.04Å; F96-I121 HydrophobicContact CZ-CD1 3.73Å; F96-L123 HydrophobicContact CD2-CD1 3.92Å; F96-L123 HydrophobicContact CD2-CD2 4.21Å; F96-L123 HydrophobicContact CE2-CD1 4.35Å; F96-L123 HydrophobicContact CE2-CD2 3.79Å; F96-I186 HydrophobicContact CD1-CD1 4.28Å; F96-D187 WeakPolarHBondContact CA-O 3.1Å |
| 97 | I | 97.2 | Very high | 85.8 | Confident | 27 Ų | 27 | 59.5 Ų | 59.5 | 14% | 0.138 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 142.4 | -168.8 | -48.8 | -178 | 0 | 0 | 0 | 109.1 | V95 G99 R102 L103 I186 D187 | V95-I97 HydrophobicContact CG1-CG1 4.06Å; I97-G99 PolarHBondContact O-N 2.85Å; I97-R102 HydrophobicContact CG2-CB 4.14Å; I97-R102 WeakPolarHBondContact CG2-O 3.22Å; I97-L103 WeakPolarHBondContact CG2-O 3.44Å; I97-I186 CarbonylContact O-C 3.57Å; I97-I186 VanDerWaalsContact O-CA 3.27Å; I97-I186 WeakPolarHBondContact O-CA 3.32Å; I97-D187 PolarHBondContact N-O 3.01Å; I97-D187 PolarHBondContact O-N 3.32Å |
| 98 | C | 98 | Very high | 88.1 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 124.5 | 171.3 | 174 | 0 | 0 | 0 | 0 | 111.2 | K100 R102 L103 I105 C157 L161 | C98-K100 PolarHBondContact O-N 3.23Å; C98-K100 VanDerWaalsContact O-N 3.11Å; C98-K100 PolarHBondContact SG-N 2.78Å; C98-R102 VanDerWaalsContact O-CA 3.31Å; C98-R102 WeakPolarHBondContact O-CA 3.23Å; C98-R102 PolarHBondContact O-N 3.47Å; C98-L103 PolarHBondContact N-O 2.86Å; C98-I105 HydrophobicContact CB-CG2 4.36Å; C98-C157 VanDerWaalsContact SG-SG 3.67Å; C98-L161 HydrophobicContact CB-CD2 4.16Å |
| 99 | G | 95.3 | Very high | 90.4 | Very high | 11 Ų | 11 | 54.2 Ų | 54.2 | 11% | 0.113 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -2.2 | -178 | 0 | 0 | 0 | 0 | 0 | 115.1 | I97 S185 | I97-G99 PolarHBondContact O-N 2.85Å; G99-S185 PolarHBondContact N-O 2.9Å |
| 100 | K | 96.2 | Very high | 92.3 | Very high | 152 Ų | 152 | 50.1 Ų | 50.1 | 66% | 0.661 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | -53.5 | 175.2 | -172.3 | 179.3 | 178.6 | -173.2 | 0 | 112.4 | C98 C157 | C98-K100 PolarHBondContact O-N 3.23Å; C98-K100 VanDerWaalsContact O-N 3.11Å; C98-K100 PolarHBondContact SG-N 2.78Å; K100-C157 HydrophobicContact CD-CB 4.31Å |
| 101 | C | 96.6 | Very high | 94 | Very high | 41 Ų | 41 | 44.5 Ų | 44.5 | 28% | 0.277 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 1.7 | -172.4 | 68.8 | 0 | 0 | 0 | 0 | 114.9 | L103 C154 C157 | C101-L103 PolarHBondContact O-N 3.13Å; C101-L103 VanDerWaalsContact O-N 3.15Å; C101-L103 VanDerWaalsContact SG-CB 3.57Å; C101-C154 PolarHBondContact SG-SG 3.05Å; C101-C157 HydrophobicContact CB-CB 3.72Å; C101-C157 PolarHBondContact SG-SG 2.86Å |
| 102 | R | 96.1 | Very high | 95.1 | Very high | 163 Ų | 163 | 44.1 Ų | 44.1 | 62% | 0.615 | 23% | 0.232 | S | C | * | . | trans | 60.9 | 18 | -179.5 | -54.2 | -66.6 | -167.3 | 172.6 | -5 | 114.9 | I97 C98 D187 | I97-R102 HydrophobicContact CG2-CB 4.14Å; I97-R102 WeakPolarHBondContact CG2-O 3.22Å; C98-R102 VanDerWaalsContact O-CA 3.31Å; C98-R102 WeakPolarHBondContact O-CA 3.23Å; C98-R102 PolarHBondContact O-N 3.47Å; R102-D187 IonicContact CZ-OD2 3.17Å; R102-D187 VanDerWaalsContact CZ-OD2 3.31Å; R102-D187 IonicContact NH1-OD2 3.31Å; R102-D187 PolarHBondContact NH1-OD2 2.94Å; R102-D187 IonicContact NH2-OD2 2.77Å | ||
| 103 | L | 97.6 | Very high | 95.5 | Very high | 42 Ų | 42 | 43.9 Ų | 43.9 | 22% | 0.22 | 23% | 0.229 | C | C | . | . | trans | -73.1 | 128.8 | 174.1 | -171.1 | 67.4 | 0 | 0 | 0 | 110.2 | I97 C98 C101 I105 N129 | I97-L103 WeakPolarHBondContact CG2-O 3.44Å; C98-L103 PolarHBondContact N-O 2.86Å; C101-L103 PolarHBondContact O-N 3.13Å; C101-L103 VanDerWaalsContact O-N 3.15Å; C101-L103 VanDerWaalsContact SG-CB 3.57Å; L103-I105 PolarHBondContact O-N 3.44Å; L103-N129 HydrophobicContact CD2-CB 3.51Å; L103-N129 HydrophobicContact CG-CB 3.88Å | ||
| 104 | P | 97.4 | Very high | 95.5 | Very high | 58 Ų | 58 | 42.5 Ų | 42.5 | 38% | 0.377 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 134.3 | 175 | -22.8 | 34.3 | 0 | 0 | 0 | 111.2 | V95 T127 N129 | V95-P104 HydrophobicContact CG1-CB 4.16Å; P104-T127 PolarHBondContact O-OG1 3.32Å; P104-N129 WeakPolarHBondContact O-CB 3.33Å; P104-N129 PolarHBondContact O-ND2 2.76Å |
| 105 | I | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | -23.2 | -174.8 | 54.6 | 171.7 | 0 | 0 | 0 | 113 | F96 C98 L103 V126 T127 V130 L161 L181 I186 | F96-I105 HydrophobicContact CB-CG1 4.11Å; F96-I105 VanDerWaalsContact O-CG1 3.25Å; F96-I105 WeakPolarHBondContact O-CG1 3.26Å; F96-I105 PolarHBondContact O-N 3.38Å; C98-I105 HydrophobicContact CB-CG2 4.36Å; L103-I105 PolarHBondContact O-N 3.44Å; I105-V126 WeakPolarHBondContact O-CB 3.49Å; I105-T127 WeakPolarHBondContact CA-OG1 3.23Å; I105-T127 PolarHBondContact O-N 2.81Å; I105-T127 PolarHBondContact O-OG1 2.87Å; I105-T127 VanDerWaalsContact O-OG1 3.07Å; I105-V130 HydrophobicContact CB-CG2 3.67Å; I105-V130 HydrophobicContact CG2-CG2 3.81Å; I105-L161 HydrophobicContact CD1-CD1 4.23Å; I105-L161 HydrophobicContact CD1-CD2 4.43Å; I105-L161 HydrophobicContact CG2-CD1 3.83Å; I105-L181 HydrophobicContact CD1-CD1 3.98Å; I105-L181 HydrophobicContact CD1-CD2 4.44Å; I105-I186 HydrophobicContact CD1-CB 4.16Å; I105-I186 HydrophobicContact CD1-CG2 3.4Å; I105-I186 VanDerWaalsContact CD1-CG2 3.4Å |
| 106 | G | 97.1 | Very high | 94.6 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178 | -173.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F96 | F96-G106 PolarHBondContact N-O 2.76Å; F96-G106 PolarHBondContact O-N 2.58Å |
| 107 | D | 96.1 | Very high | 94 | Very high | 60 Ų | 60 | 54.8 Ų | 54.8 | 32% | 0.321 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 165.1 | -178 | 63.1 | 77.7 | 0 | 0 | 0 | 111.9 | V94 M109 S110 | V94-D107 CarbonylContact O-C 3.59Å; V94-D107 WeakPolarHBondContact O-CA 3.27Å; V94-D107 WeakPolarHBondContact O-CB 3.5Å; D107-M109 PolarHBondContact O-N 2.83Å; D107-M109 WeakPolarHBondContact OD1-CA 3.2Å; D107-M109 WeakPolarHBondContact OD1-CB 3.37Å; D107-M109 WeakPolarHBondContact OD1-CG 3.39Å; D107-M109 PolarHBondContact OD1-N 3.07Å; D107-S110 PolarHBondContact O-N 3.3Å; D107-S110 PolarHBondContact O-OG 2.91Å |
| 108 | S | 94.4 | Very high | 93.2 | Very high | 18 Ų | 18 | 56.3 Ų | 56.3 | 13% | 0.126 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -68.1 | -13.4 | -177.5 | 61.8 | 0 | 0 | 0 | 0 | 114.4 | V94 S110 W111 | V94-S108 PolarHBondContact N-OG 2.8Å; V94-S108 PolarHBondContact O-N 2.9Å; S108-S110 PolarHBondContact O-N 3.1Å; S108-W111 VanDerWaalsContact O-CB 3.25Å; S108-W111 WeakPolarHBondContact O-CB 3.35Å; S108-W111 PolarHBondContact O-N 2.87Å; S108-W111 VanDerWaalsContact O-N 3.14Å |
| 109 | M | 93.6 | Very high | 92.9 | Very high | 160 Ų | 160 | 60.5 Ų | 60.5 | 79% | 0.788 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -69.2 | -17.8 | 174.7 | -50.5 | -148.8 | 78.5 | 0 | 0 | 112.3 | D107 | D107-M109 PolarHBondContact O-N 2.83Å; D107-M109 WeakPolarHBondContact OD1-CA 3.2Å; D107-M109 WeakPolarHBondContact OD1-CB 3.37Å; D107-M109 WeakPolarHBondContact OD1-CG 3.39Å; D107-M109 PolarHBondContact OD1-N 3.07Å |
| 110 | S | 95.3 | Very high | 92.8 | Very high | 5 Ų | 5 | 61 Ų | 61 | 4% | 0.035 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -99.2 | 10.6 | 175.3 | 70 | 0 | 0 | 0 | 0 | 113.6 | D107 S108 L123 K124 R125 | D107-S110 PolarHBondContact O-N 3.3Å; D107-S110 PolarHBondContact O-OG 2.91Å; S108-S110 PolarHBondContact O-N 3.1Å; S110-L123 CarbonylContact O-C 3.47Å; S110-L123 WeakPolarHBondContact O-CA 3.49Å; S110-K124 PolarHBondContact O-N 3.44Å; S110-R125 PolarHBondContact OG-O 2.92Å; S110-R125 VanDerWaalsContact OG-O 3.1Å |
| 111 | W | 94.2 | Very high | 92.7 | Very high | 23 Ų | 23 | 54.6 Ų | 54.6 | 9% | 0.087 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 137.5 | -175.7 | -175.7 | -99 | 0 | 0 | 0 | 113.6 | Q31 P32 P33 F96 S108 G113 I121 L123 | Q31-W111 PolarHBondContact O-NE1 2.74Å; P32-W111 HydrophobicContact CB-CB 4.36Å; P32-W111 HydrophobicContact CB-CD2 3.95Å; P32-W111 HydrophobicContact CB-CE3 4.33Å; P32-W111 HydrophobicContact CB-CG 3.95Å; P33-W111 VanDerWaalsContact CD-CZ2 3.4Å; P33-W111 HydrophobicContact CG-CH2 4.35Å; P33-W111 HydrophobicContact CG-CZ2 4.3Å; F96-W111 HydrophobicContact CZ-CE3 4.18Å; F96-W111 HydrophobicContact CZ-CZ3 4.08Å; S108-W111 VanDerWaalsContact O-CB 3.25Å; S108-W111 WeakPolarHBondContact O-CB 3.35Å; S108-W111 PolarHBondContact O-N 2.87Å; S108-W111 VanDerWaalsContact O-N 3.14Å; W111-G113 WeakPolarHBondContact CZ2-O 3.41Å; W111-I121 HydrophobicContact CH2-CB 3.93Å; W111-I121 HydrophobicContact CH2-CG2 3.71Å; W111-I121 HydrophobicContact CZ3-CB 3.71Å; W111-I121 HydrophobicContact CZ3-CD1 4.22Å; W111-I121 HydrophobicContact CZ3-CG2 3.79Å; W111-L123 HydrophobicContact CE3-CD2 4.15Å |
| 112 | D | 93.2 | Very high | 92.7 | Very high | 31 Ų | 31 | 53.9 Ų | 53.9 | 17% | 0.166 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | -3.6 | 178.3 | -159.8 | 63.7 | 0 | 0 | 0 | 113.8 | K122 K124 T178 | D112-K122 HydrophobicContact CB-CB 4.02Å; D112-K122 PolarHBondContact N-O 3.49Å; D112-K122 IonicContact OD2-NZ 2.76Å; D112-K124 HydrophobicContact CB-CG 3.85Å; D112-K124 WeakPolarHBondContact OD1-CE 3.47Å; D112-K124 WeakPolarHBondContact OD1-CG 3.09Å; D112-K124 IonicContact OD1-NZ 2.67Å; D112-T178 WeakPolarHBondContact OD2-CG2 3.43Å |
| 113 | G | 91.9 | Very high | 92.7 | Very high | 16 Ų | 16 | 46.1 Ų | 46.1 | 17% | 0.165 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 129.7 | -174.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | W111 K122 | W111-G113 WeakPolarHBondContact CZ2-O 3.41Å; G113-K122 PolarHBondContact N-O 2.86Å; G113-K122 PolarHBondContact O-N 2.83Å |
| 114 | S | 91.3 | Very high | 92.5 | Very high | 42 Ų | 42 | 49.4 Ų | 49.4 | 29% | 0.294 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 160.7 | 172.2 | 63.1 | 0 | 0 | 0 | 0 | 110.9 | I22 D116 Q120 | I22-S114 VanDerWaalsContact CD1-OG 3.22Å; I22-S114 WeakPolarHBondContact CD1-OG 3.14Å; S114-D116 PolarHBondContact OG-OD1 3Å; S114-D116 VanDerWaalsContact OG-OD1 3.07Å; S114-Q120 WeakPolarHBondContact CA-O 3.39Å |
| 115 | E | 87.4 | Confident | 92.4 | Very high | 36 Ų | 36 | 54.7 Ų | 54.7 | 17% | 0.168 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 96 | 169.6 | -177.9 | 134.4 | -120.5 | 0 | 0 | 108.1 | D117 Q118 N119 Q120 K175 | E115-D117 PolarHBondContact O-N 3.25Å; E115-Q118 HydrophobicContact CG-CB 4.08Å; E115-Q118 HydrophobicContact CG-CG 4.06Å; E115-Q118 PolarHBondContact O-N 3.47Å; E115-Q118 PolarHBondContact OE2-OE1 3.48Å; E115-N119 PolarHBondContact O-N 3.44Å; E115-Q120 PolarHBondContact N-O 2.8Å; E115-Q120 PolarHBondContact O-N 2.76Å; E115-K175 WeakPolarHBondContact OE1-CE 3.27Å; E115-K175 IonicContact OE1-NZ 3.87Å; E115-K175 PolarHBondContact OE1-NZ 2.74Å; E115-K175 IonicContact OE2-NZ 2.58Å; E115-K175 PolarHBondContact OE2-NZ 3.41Å |
| 116 | D | 83.2 | Confident | 92.4 | Very high | 102 Ų | 102 | 56.2 Ų | 56.2 | 55% | 0.545 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -67.6 | -37.7 | -169.3 | -59.4 | -13.8 | 0 | 0 | 0 | 111.6 | I22 S114 Q118 N119 | I22-D116 WeakPolarHBondContact CD1-OD1 3.37Å; S114-D116 PolarHBondContact OG-OD1 3Å; S114-D116 VanDerWaalsContact OG-OD1 3.07Å; D116-Q118 PolarHBondContact O-N 3.26Å; D116-N119 PolarHBondContact O-N 2.91Å |
| 117 | D | 83.3 | Confident | 92.4 | Very high | 160 Ų | 160 | 58.3 Ų | 58.3 | 86% | 0.856 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -59.5 | -31.8 | 178.6 | -65.9 | -20.9 | 0 | 0 | 0 | 112.7 | E115 | E115-D117 PolarHBondContact O-N 3.25Š|
| 118 | Q | 81.7 | Confident | 92.5 | Very high | 60 Ų | 60 | 61.9 Ų | 61.9 | 28% | 0.28 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -104.2 | 1.2 | 179.5 | -58.4 | -176.5 | -24.5 | 0 | 0 | 112.6 | E115 D116 Q120 Y165 | E115-Q118 HydrophobicContact CG-CB 4.08Å; E115-Q118 HydrophobicContact CG-CG 4.06Å; E115-Q118 PolarHBondContact O-N 3.47Å; E115-Q118 PolarHBondContact OE2-OE1 3.48Å; D116-Q118 PolarHBondContact O-N 3.26Å; Q118-Q120 VanDerWaalsContact C-N 3.33Å; Q118-Q120 HydrophobicContact CB-CG 4.23Å; Q118-Q120 WeakPolarHBondContact O-CG 3.2Å; Q118-Q120 PolarHBondContact O-N 3.47Å; Q118-Y165 PolarHBondContact OE1-OH 2.8Å |
| 119 | N | 90.2 | Very high | 92.6 | Very high | 87 Ų | 87 | 63.3 Ų | 63.3 | 47% | 0.465 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | 51 | -176.3 | -158.4 | 52.7 | 0 | 0 | 0 | 112.2 | E115 D116 V183 | E115-N119 PolarHBondContact O-N 3.44Å; D116-N119 PolarHBondContact O-N 2.91Å; N119-V183 WeakPolarHBondContact O-CB 3.34Å; N119-V183 WeakPolarHBondContact O-CG2 3.39Å; N119-V183 PolarHBondContact O-N 2.92Å |
| 120 | Q | 93.3 | Very high | 92.8 | Very high | 23 Ų | 23 | 56.5 Ų | 56.5 | 11% | 0.107 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 149.4 | -175.8 | -74.2 | 170.6 | 35 | 0 | 0 | 111.8 | S114 E115 Q118 L181 | S114-Q120 WeakPolarHBondContact CA-O 3.39Å; E115-Q120 PolarHBondContact N-O 2.8Å; E115-Q120 PolarHBondContact O-N 2.76Å; Q118-Q120 VanDerWaalsContact C-N 3.33Å; Q118-Q120 HydrophobicContact CB-CG 4.23Å; Q118-Q120 WeakPolarHBondContact O-CG 3.2Å; Q118-Q120 PolarHBondContact O-N 3.47Å; Q120-L181 CarbonylContact C-O 3.5Å; Q120-L181 VanDerWaalsContact CA-O 3.24Å; Q120-L181 WeakPolarHBondContact CA-O 3.4Å |
| 121 | I | 95.3 | Very high | 93 | Very high | 16 Ų | 16 | 59.5 Ų | 59.5 | 8% | 0.082 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 153.6 | 165.3 | 65.7 | 168.4 | 0 | 0 | 0 | 109.6 | F96 W111 C180 L181 V183 I186 | F96-I121 HydrophobicContact CD1-CD1 3.69Å; F96-I121 HydrophobicContact CD2-CD1 4.21Å; F96-I121 HydrophobicContact CE1-CD1 3.53Å; F96-I121 HydrophobicContact CE2-CD1 4.07Å; F96-I121 HydrophobicContact CG-CD1 4.04Å; F96-I121 HydrophobicContact CZ-CD1 3.73Å; W111-I121 HydrophobicContact CH2-CB 3.93Å; W111-I121 HydrophobicContact CH2-CG2 3.71Å; W111-I121 HydrophobicContact CZ3-CB 3.71Å; W111-I121 HydrophobicContact CZ3-CD1 4.22Å; W111-I121 HydrophobicContact CZ3-CG2 3.79Å; I121-C180 CarbonylContact O-C 3.5Å; I121-C180 WeakPolarHBondContact O-CA 3.44Å; I121-L181 HydrophobicContact CD1-CB 4.47Å; I121-L181 HydrophobicContact CD1-CD1 4.36Å; I121-L181 HydrophobicContact CG1-CB 3.86Å; I121-L181 HydrophobicContact CG1-CD1 4.49Å; I121-L181 PolarHBondContact N-O 2.99Å; I121-L181 PolarHBondContact O-N 3.42Å; I121-V183 HydrophobicContact CG2-CG2 3.97Å; I121-I186 HydrophobicContact CD1-CD1 3.44Å; I121-I186 VanDerWaalsContact CD1-CD1 3.44Å; I121-I186 HydrophobicContact CG1-CD1 3.84Å |
| 122 | K | 95.2 | Very high | 93.1 | Very high | 26 Ų | 26 | 62.8 Ų | 62.8 | 11% | 0.113 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 131.6 | 179.3 | -61.7 | -174.1 | -68.1 | 154.6 | 0 | 110.5 | D112 G113 F179 | D112-K122 HydrophobicContact CB-CB 4.02Å; D112-K122 PolarHBondContact N-O 3.49Å; D112-K122 IonicContact OD2-NZ 2.76Å; G113-K122 PolarHBondContact N-O 2.86Å; G113-K122 PolarHBondContact O-N 2.83Å; K122-F179 WeakPolarHBondContact CA-O 3.46Å |
| 123 | L | 96 | Very high | 93.1 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 143 | 173.7 | -55.7 | -178.6 | 0 | 0 | 0 | 110.1 | F96 S110 W111 R125 V126 F179 L181 | F96-L123 HydrophobicContact CD2-CD1 3.92Å; F96-L123 HydrophobicContact CD2-CD2 4.21Å; F96-L123 HydrophobicContact CE2-CD1 4.35Å; F96-L123 HydrophobicContact CE2-CD2 3.79Å; S110-L123 CarbonylContact O-C 3.47Å; S110-L123 WeakPolarHBondContact O-CA 3.49Å; W111-L123 HydrophobicContact CE3-CD2 4.15Å; L123-R125 VanDerWaalsContact C-N 3.29Å; L123-R125 WeakPolarHBondContact CB-O 3.18Å; L123-V126 HydrophobicContact CD1-CG1 4.36Å; L123-F179 PolarHBondContact N-O 3.25Å; L123-F179 PolarHBondContact O-N 2.85Å; L123-L181 HydrophobicContact CD1-CD1 3.67Å; L123-L181 HydrophobicContact CG-CD1 4.31Å |
| 124 | K | 95.1 | Very high | 93.1 | Very high | 111 Ų | 111 | 71 Ų | 71 | 48% | 0.483 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -70.1 | -29.3 | 171.1 | -62.2 | -176.5 | -179.9 | 170.5 | 0 | 111.9 | S110 D112 | S110-K124 PolarHBondContact O-N 3.44Å; D112-K124 HydrophobicContact CB-CG 3.85Å; D112-K124 WeakPolarHBondContact OD1-CE 3.47Å; D112-K124 WeakPolarHBondContact OD1-CG 3.09Å; D112-K124 IonicContact OD1-NZ 2.67Å |
| 125 | R | 95.3 | Very high | 93.2 | Very high | 169 Ų | 169 | 75.3 Ų | 75.3 | 64% | 0.638 | 38% | 0.376 | S | S | * | . | trans | -143.5 | 150.7 | -176.9 | -68.5 | -173.1 | -71.5 | -94.8 | 1 | 110.3 | S110 L123 | S110-R125 PolarHBondContact OG-O 2.92Å; S110-R125 VanDerWaalsContact OG-O 3.1Å; L123-R125 VanDerWaalsContact C-N 3.29Å; L123-R125 WeakPolarHBondContact CB-O 3.18Å | ||
| 126 | V | 97.1 | Very high | 93.4 | Very high | 32 Ų | 32 | 77.8 Ų | 77.8 | 19% | 0.194 | 39% | 0.394 | C | S | . | . | trans | -129.5 | 164 | 170.3 | -65.6 | 0 | 0 | 0 | 0 | 108.9 | I105 L123 V130 F179 | I105-V126 WeakPolarHBondContact O-CB 3.49Å; L123-V126 HydrophobicContact CD1-CG1 4.36Å; V126-V130 HydrophobicContact CB-CB 4.24Å; V126-V130 HydrophobicContact CB-CG2 4.02Å; V126-V130 HydrophobicContact CG2-CB 3.88Å; V126-V130 HydrophobicContact CG2-CG1 4.27Å; V126-V130 HydrophobicContact CG2-CG2 4.23Å; V126-F179 HydrophobicContact CB-CD1 4.49Å; V126-F179 HydrophobicContact CB-CG 4.46Å; V126-F179 HydrophobicContact CG1-CB 3.69Å; V126-F179 HydrophobicContact CG1-CD1 3.99Å; V126-F179 HydrophobicContact CG1-CD2 4.13Å; V126-F179 HydrophobicContact CG1-CG 3.67Å; V126-F179 HydrophobicContact CG2-CD1 3.66Å; V126-F179 HydrophobicContact CG2-CD2 4.27Å; V126-F179 HydrophobicContact CG2-CE1 3.58Å; V126-F179 HydrophobicContact CG2-CE2 4.2Å; V126-F179 HydrophobicContact CG2-CG 4.02Å; V126-F179 HydrophobicContact CG2-CZ 3.86Å | ||
| 127 | T | 97.7 | Very high | 93.8 | Very high | 47 Ų | 47 | 76.1 Ų | 76.1 | 29% | 0.288 | 38% | 0.383 | S | S | . | . | trans | -75.5 | 167.2 | 175.7 | 63.9 | 0 | 0 | 0 | 0 | 111.7 | P104 I105 N129 V130 | P104-T127 PolarHBondContact O-OG1 3.32Å; I105-T127 WeakPolarHBondContact CA-OG1 3.23Å; I105-T127 PolarHBondContact O-N 2.81Å; I105-T127 PolarHBondContact O-OG1 2.87Å; I105-T127 VanDerWaalsContact O-OG1 3.07Å; T127-N129 PolarHBondContact O-N 2.79Å; T127-N129 WeakPolarHBondContact OG1-CB 3.39Å; T127-N129 PolarHBondContact OG1-N 3.38Å; T127-V130 PolarHBondContact O-N 2.83Å; T127-V130 VanDerWaalsContact O-N 3.13Å | ||
| 128 | N | 97.5 | Very high | 94.2 | Very high | 136 Ų | 136 | 76.3 Ų | 76.3 | 73% | 0.727 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | 3.1 | 174.3 | -63.6 | -19.5 | 0 | 0 | 0 | 114.4 | V130 R155 | N128-V130 VanDerWaalsContact C-N 3.32Å; N128-R155 WeakPolarHBondContact O-CD 3.27Å; N128-R155 PolarHBondContact O-NH1 3.3Å |
| 129 | N | 97.8 | Very high | 94.5 | Very high | 48 Ų | 48 | 75.3 Ų | 75.3 | 26% | 0.257 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -5.5 | 173.9 | -65.1 | -26.5 | 0 | 0 | 0 | 112.7 | L103 P104 T127 R155 | L103-N129 HydrophobicContact CD2-CB 3.51Å; L103-N129 HydrophobicContact CG-CB 3.88Å; P104-N129 WeakPolarHBondContact O-CB 3.33Å; P104-N129 PolarHBondContact O-ND2 2.76Å; T127-N129 PolarHBondContact O-N 2.79Å; T127-N129 WeakPolarHBondContact OG1-CB 3.39Å; T127-N129 PolarHBondContact OG1-N 3.38Å; N129-R155 WeakPolarHBondContact O-CB 3.35Å; N129-R155 PolarHBondContact O-N 3.02Å |
| 130 | V | 98 | Very high | 94.3 | Very high | 16 Ų | 16 | 78.1 Ų | 78.1 | 10% | 0.097 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 127.9 | 172.4 | -175.7 | 0 | 0 | 0 | 0 | 108.7 | I105 V126 T127 N128 L152 L161 | I105-V130 HydrophobicContact CB-CG2 3.67Å; I105-V130 HydrophobicContact CG2-CG2 3.81Å; V126-V130 HydrophobicContact CB-CB 4.24Å; V126-V130 HydrophobicContact CB-CG2 4.02Å; V126-V130 HydrophobicContact CG2-CB 3.88Å; V126-V130 HydrophobicContact CG2-CG1 4.27Å; V126-V130 HydrophobicContact CG2-CG2 4.23Å; T127-V130 PolarHBondContact O-N 2.83Å; T127-V130 VanDerWaalsContact O-N 3.13Å; N128-V130 VanDerWaalsContact C-N 3.32Å; V130-L152 HydrophobicContact CG1-CB 3.9Å; V130-L152 HydrophobicContact CG1-CD2 4.01Å; V130-L152 HydrophobicContact CG1-CG 4.4Å; V130-L161 HydrophobicContact CG1-CD1 4.43Å; V130-L161 HydrophobicContact CG2-CD1 4.06Å |
| 131 | I | 97.8 | Very high | 93.6 | Very high | 68 Ų | 68 | 79.3 Ų | 79.3 | 35% | 0.349 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 131.8 | 175.9 | -59 | 173.9 | 0 | 0 | 0 | 107.7 | I153 R155 | I131-I153 HydrophobicContact CB-CB 4.44Å; I131-I153 PolarHBondContact N-O 3.04Å; I131-I153 PolarHBondContact O-N 2.84Å; I131-R155 HydrophobicContact CD1-CB 3.97Å; I131-R155 HydrophobicContact CD1-CG 4.04Å; I131-R155 HydrophobicContact CG1-CB 3.99Å; I131-R155 HydrophobicContact CG1-CG 4.35Å |
| 132 | I | 96.3 | Very high | 92.6 | Very high | 93 Ų | 93 | 82.4 Ų | 82.4 | 48% | 0.477 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 124.2 | 167.6 | -58.5 | 174.5 | 0 | 0 | 0 | 107.2 | V150 L152 V164 F179 | I132-V150 HydrophobicContact CG2-CB 4.23Å; I132-V150 HydrophobicContact CG2-CG1 3.54Å; I132-L152 HydrophobicContact CG1-CD2 4.06Å; I132-V164 HydrophobicContact CG2-CG1 4.28Å; I132-F179 HydrophobicContact CD1-CE1 4.14Å; I132-F179 HydrophobicContact CG1-CE1 4.37Å |
| 133 | G | 94.1 | Very high | 91.6 | Very high | 18 Ų | 18 | 90.6 Ų | 90.6 | 19% | 0.186 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 166.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V150 D151 | G133-V150 WeakPolarHBondContact O-CG1 3.39Å; G133-D151 PolarHBondContact N-O 2.79Å |
| 134 | K | 92.4 | Very high | 90.5 | Very high | 202 Ų | 202 | 99.6 Ų | 99.6 | 88% | 0.878 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.2 | -29.8 | 176.2 | -64.3 | -178.6 | -178.5 | 179.4 | 0 | 112.1 | ||
| 135 | D | 91.8 | Very high | 89.8 | Confident | 131 Ų | 131 | 94.9 Ų | 94.9 | 70% | 0.701 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 126.6 | -172.3 | -56.5 | -39.4 | 0 | 0 | 0 | 110.6 | ||
| 136 | T | 93.3 | Very high | 89.4 | Confident | 89 Ų | 89 | 89.4 Ų | 89.4 | 55% | 0.546 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 134.5 | 172.7 | 51.8 | 0 | 0 | 0 | 0 | 110 | V149 V150 | T136-V149 CarbonylContact C-O 3.57Å; T136-V149 WeakPolarHBondContact CA-O 3.32Å; T136-V150 HydrophobicContact CG2-CG2 3.5Å |
| 137 | H | 91 | Very high | 89.2 | Confident | 67 Ų | 67 | 87.9 Ų | 87.9 | 31% | 0.31 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 158.5 | 173.8 | 57.4 | -81.6 | 0 | 0 | 0 | 111.5 | V149 D151 | H137-V149 WeakPolarHBondContact CD2-CG2 3.32Å; H137-V149 PolarHBondContact N-O 2.86Å; H137-V149 PolarHBondContact ND1-O 3.25Å; H137-V149 WeakPolarHBondContact NE2-CG2 3.26Å; H137-V149 VanDerWaalsContact O-CG2 3.26Å; H137-V149 WeakPolarHBondContact O-CG2 3.41Å; H137-V149 PolarHBondContact O-N 3.14Å; H137-D151 IonicContact CE1-OD1 3.09Å; H137-D151 PolarHBondContact CE1-OD1 3.24Å; H137-D151 IonicContact ND1-OD1 3.93Å; H137-D151 IonicContact NE2-OD1 3.77Å |
| 138 | F | 90.4 | Very high | 88.9 | Confident | 164 Ų | 164 | 88 Ų | 88 | 72% | 0.719 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 128.5 | 176.7 | -73.5 | -86.6 | 0 | 0 | 0 | 110.1 | A146 C147 L148 | F138-A146 HydrophobicContact CD1-CB 4.5Å; F138-C147 WeakPolarHBondContact CA-O 3.48Å; F138-L148 HydrophobicContact CD1-CD2 3.56Å; F138-L148 HydrophobicContact CD2-CD2 4.26Å; F138-L148 HydrophobicContact CE1-CD2 3.39Å; F138-L148 HydrophobicContact CE1-CG 4.38Å; F138-L148 HydrophobicContact CE2-CD2 4.1Å; F138-L148 HydrophobicContact CG-CD2 4.01Å; F138-L148 HydrophobicContact CZ-CD2 3.68Å |
| 139 | L | 88.3 | Confident | 88.8 | Confident | 39 Ų | 39 | 81.5 Ų | 81.5 | 20% | 0.204 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 111.6 | 168.5 | -174.6 | 69.7 | 0 | 0 | 0 | 109.1 | M141 A146 C147 V149 M163 Y165 | L139-M141 HydrophobicContact CD2-CE 4.29Å; L139-M141 HydrophobicContact CD2-CG 4.44Å; L139-A146 WeakPolarHBondContact O-CA 3.34Å; L139-C147 PolarHBondContact N-O 3.49Å; L139-C147 PolarHBondContact O-N 2.94Å; L139-V149 HydrophobicContact CB-CG1 4.24Å; L139-V149 HydrophobicContact CB-CG2 3.81Å; L139-V149 HydrophobicContact CD2-CG1 4.38Å; L139-M163 HydrophobicContact CD2-CE 3.55Å; L139-M163 HydrophobicContact CD2-SD 4.19Å; L139-Y165 HydrophobicContact CD2-CE1 3.81Å; L139-Y165 WeakPolarHBondContact CD2-OH 3.4Å |
| 140 | E | 86.8 | Confident | 88.7 | Confident | 145 Ų | 145 | 79.6 Ų | 79.6 | 68% | 0.678 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 119.4 | 171.9 | -167 | 175.3 | -178.7 | 0 | 0 | 109.1 | ||
| 141 | M | 78.8 | Confident | 88.6 | Confident | 49 Ų | 49 | 81.3 Ų | 81.3 | 24% | 0.241 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | -37.9 | -179.8 | -78 | 141.4 | 146.9 | 0 | 0 | 112.1 | L139 S145 C147 Y165 L172 K175 | L139-M141 HydrophobicContact CD2-CE 4.29Å; L139-M141 HydrophobicContact CD2-CG 4.44Å; M141-S145 PolarHBondContact N-O 2.89Å; M141-S145 VanDerWaalsContact N-O 3.09Å; M141-C147 HydrophobicContact CE-CB 4.29Å; M141-C147 HydrophobicContact SD-CB 3.95Å; M141-C147 PolarHBondContact SD-SG 2.86Å; M141-Y165 HydrophobicContact CE-CD1 4.12Å; M141-Y165 HydrophobicContact CE-CE1 3.17Å; M141-Y165 VanDerWaalsContact CE-CZ 3.43Å; M141-Y165 VanDerWaalsContact CE-OH 3.26Å; M141-Y165 WeakPolarHBondContact CE-OH 3.34Å; M141-Y165 HydrophobicContact SD-CE1 4.48Å; M141-L172 HydrophobicContact CB-CD1 4.49Å; M141-L172 HydrophobicContact CE-CD1 3.92Å; M141-L172 HydrophobicContact CG-CD1 4.45Å; M141-L172 HydrophobicContact SD-CD1 3.23Å; M141-L172 WeakPolarHBondContact SD-CD1 3.49Å; M141-K175 HydrophobicContact CE-CD 4.02Å |
| 142 | N | 74.2 | Confident | 88.6 | Confident | 80 Ų | 80 | 78.1 Ų | 78.1 | 43% | 0.428 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 173.2 | 171.7 | 61.4 | 35.2 | 0 | 0 | 0 | 108.8 | Q144 S145 | N142-Q144 PolarHBondContact O-N 3.37Å; N142-Q144 PolarHBondContact OD1-N 3.15Å; N142-Q144 VanDerWaalsContact OD1-N 3.14Å; N142-S145 PolarHBondContact ND2-OG 3.26Å; N142-S145 VanDerWaalsContact ND2-OG 3.11Å; N142-S145 PolarHBondContact O-N 3.44Å; N142-S145 WeakPolarHBondContact OD1-CB 3.41Å; N142-S145 PolarHBondContact OD1-N 3.11Å; N142-S145 PolarHBondContact OD1-OG 3.38Å |
| 143 | K | 74.6 | Confident | 88.7 | Confident | 199 Ų | 199 | 75.8 Ų | 75.8 | 87% | 0.865 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -7.1 | -175.7 | -61.1 | -177.6 | 179.4 | -179.4 | 0 | 115.4 | ||
| 144 | Q | 72.9 | Confident | 88.9 | Confident | 189 Ų | 189 | 75 Ų | 75 | 88% | 0.883 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.8 | -1.6 | -172.7 | -71.6 | 164 | -5.1 | 0 | 0 | 113.6 | N142 | N142-Q144 PolarHBondContact O-N 3.37Å; N142-Q144 PolarHBondContact OD1-N 3.15Å; N142-Q144 VanDerWaalsContact OD1-N 3.14Å |
| 145 | S | 80.2 | Confident | 89.2 | Confident | 11 Ų | 11 | 72.2 Ų | 72.2 | 8% | 0.077 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 126 | -179.2 | 62.6 | 0 | 0 | 0 | 0 | 111.8 | M141 N142 | M141-S145 PolarHBondContact N-O 2.89Å; M141-S145 VanDerWaalsContact N-O 3.09Å; N142-S145 PolarHBondContact ND2-OG 3.26Å; N142-S145 VanDerWaalsContact ND2-OG 3.11Å; N142-S145 PolarHBondContact O-N 3.44Å; N142-S145 WeakPolarHBondContact OD1-CB 3.41Å; N142-S145 PolarHBondContact OD1-N 3.11Å; N142-S145 PolarHBondContact OD1-OG 3.38Å |
| 146 | A | 87.6 | Confident | 89.5 | Confident | 54 Ų | 54 | 69.5 Ų | 69.5 | 45% | 0.446 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 144.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | F138 L139 | F138-A146 HydrophobicContact CD1-CB 4.5Å; L139-A146 WeakPolarHBondContact O-CA 3.34Å |
| 147 | C | 91 | Very high | 89.7 | Confident | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.007 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 155.1 | 173 | -71.5 | 0 | 0 | 0 | 0 | 110.3 | F138 L139 M141 Y165 S167 P169 | F138-C147 WeakPolarHBondContact CA-O 3.48Å; L139-C147 PolarHBondContact N-O 3.49Å; L139-C147 PolarHBondContact O-N 2.94Å; M141-C147 HydrophobicContact CE-CB 4.29Å; M141-C147 HydrophobicContact SD-CB 3.95Å; M141-C147 PolarHBondContact SD-SG 2.86Å; C147-Y165 HydrophobicContact CB-CD1 3.78Å; C147-Y165 HydrophobicContact CB-CE1 3.99Å; C147-S167 WeakPolarHBondContact CA-O 3.38Å; C147-S167 WeakPolarHBondContact CB-O 3.46Å; C147-P169 WeakPolarHBondContact SG-CD 3.46Å |
| 148 | L | 92.8 | Very high | 90 | Very high | 49 Ų | 49 | 71.9 Ų | 71.9 | 26% | 0.257 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 131.7 | 164.1 | -63 | 175.5 | 0 | 0 | 0 | 108.7 | F138 T166 S167 | F138-L148 HydrophobicContact CD1-CD2 3.56Å; F138-L148 HydrophobicContact CD2-CD2 4.26Å; F138-L148 HydrophobicContact CE1-CD2 3.39Å; F138-L148 HydrophobicContact CE1-CG 4.38Å; F138-L148 HydrophobicContact CE2-CD2 4.1Å; F138-L148 HydrophobicContact CG-CD2 4.01Å; F138-L148 HydrophobicContact CZ-CD2 3.68Å; L148-T166 WeakPolarHBondContact CB-OG1 3.08Å; L148-T166 PolarHBondContact O-N 3.12Å; L148-T166 PolarHBondContact O-OG1 3Å; L148-S167 PolarHBondContact N-O 2.63Å; L148-S167 PolarHBondContact O-N 3.43Å |
| 149 | V | 94 | Very high | 90.3 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 154 | -178.6 | -73.7 | 0 | 0 | 0 | 0 | 110.1 | T136 H137 L139 M163 V164 Y165 | T136-V149 CarbonylContact C-O 3.57Å; T136-V149 WeakPolarHBondContact CA-O 3.32Å; H137-V149 WeakPolarHBondContact CD2-CG2 3.32Å; H137-V149 PolarHBondContact N-O 2.86Å; H137-V149 PolarHBondContact ND1-O 3.25Å; H137-V149 WeakPolarHBondContact NE2-CG2 3.26Å; H137-V149 VanDerWaalsContact O-CG2 3.26Å; H137-V149 WeakPolarHBondContact O-CG2 3.41Å; H137-V149 PolarHBondContact O-N 3.14Å; L139-V149 HydrophobicContact CB-CG1 4.24Å; L139-V149 HydrophobicContact CB-CG2 3.81Å; L139-V149 HydrophobicContact CD2-CG1 4.38Å; V149-M163 HydrophobicContact CB-CB 4.41Å; V149-M163 HydrophobicContact CB-SD 4.36Å; V149-M163 HydrophobicContact CG1-SD 4.2Å; V149-M163 HydrophobicContact CG2-SD 4.45Å; V149-V164 VanDerWaalsContact CA-O 3.27Å; V149-V164 WeakPolarHBondContact CA-O 3.38Å; V149-Y165 HydrophobicContact CG1-CD1 3.29Å; V149-Y165 HydrophobicContact CG1-CE1 3.46Å; V149-Y165 VanDerWaalsContact CG1-CE1 3.46Å; V149-Y165 HydrophobicContact CG1-CG 4.03Å |
| 150 | V | 96.3 | Very high | 90.7 | Very high | 7 Ų | 7 | 68 Ų | 68 | 4% | 0.042 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 140.5 | 175.9 | 178.7 | 0 | 0 | 0 | 0 | 108.6 | I132 G133 T136 M163 V164 T166 | I132-V150 HydrophobicContact CG2-CB 4.23Å; I132-V150 HydrophobicContact CG2-CG1 3.54Å; G133-V150 WeakPolarHBondContact O-CG1 3.39Å; T136-V150 HydrophobicContact CG2-CG2 3.5Å; V150-M163 CarbonylContact O-C 3.49Å; V150-M163 WeakPolarHBondContact O-CA 3.32Å; V150-M163 WeakPolarHBondContact O-CB 3.5Å; V150-V164 HydrophobicContact CB-CG1 4.15Å; V150-V164 PolarHBondContact N-O 3.01Å; V150-V164 PolarHBondContact O-N 2.93Å; V150-T166 HydrophobicContact CB-CG2 4.28Å; V150-T166 HydrophobicContact CG2-CG2 3.55Å |
| 151 | D | 96.8 | Very high | 91.2 | Very high | 53 Ų | 53 | 61.1 Ų | 61.1 | 28% | 0.283 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 145.3 | -179.3 | -73.7 | -28.1 | 0 | 0 | 0 | 112.8 | G133 H137 I153 L160 | G133-D151 PolarHBondContact N-O 2.79Å; H137-D151 IonicContact CE1-OD1 3.09Å; H137-D151 PolarHBondContact CE1-OD1 3.24Å; H137-D151 IonicContact ND1-OD1 3.93Å; H137-D151 IonicContact NE2-OD1 3.77Å; D151-I153 HydrophobicContact CB-CG1 4.35Å; D151-L160 HydrophobicContact CB-CD1 3.57Å; D151-L160 VanDerWaalsContact CG-CD1 3.48Å |
| 152 | L | 97.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 122.8 | 168.4 | -62.2 | 176.5 | 0 | 0 | 0 | 109 | V130 I132 L161 G162 M163 V164 F179 L181 | V130-L152 HydrophobicContact CG1-CB 3.9Å; V130-L152 HydrophobicContact CG1-CD2 4.01Å; V130-L152 HydrophobicContact CG1-CG 4.4Å; I132-L152 HydrophobicContact CG1-CD2 4.06Å; L152-L161 HydrophobicContact CB-CB 4.44Å; L152-L161 PolarHBondContact O-N 3.49Å; L152-G162 PolarHBondContact N-O 2.85Å; L152-M163 WeakPolarHBondContact CD1-O 2.88Å; L152-V164 HydrophobicContact CD2-CB 4.32Å; L152-V164 HydrophobicContact CD2-CG1 4.11Å; L152-F179 HydrophobicContact CD1-CB 4.05Å; L152-F179 HydrophobicContact CD1-CD1 3.9Å; L152-F179 HydrophobicContact CD1-CG 4.5Å; L152-F179 HydrophobicContact CD2-CD1 3.74Å; L152-F179 HydrophobicContact CD2-CE1 4.11Å; L152-F179 HydrophobicContact CG-CD1 4.49Å; L152-L181 HydrophobicContact CD1-CD2 3.95Å |
| 153 | I | 98.1 | Very high | 93.1 | Very high | 45 Ų | 45 | 56.3 Ų | 56.3 | 23% | 0.231 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 135.9 | -171.6 | -58.5 | 172.3 | 0 | 0 | 0 | 109.7 | I131 D151 R155 Y158 | I131-I153 HydrophobicContact CB-CB 4.44Å; I131-I153 PolarHBondContact N-O 3.04Å; I131-I153 PolarHBondContact O-N 2.84Å; D151-I153 HydrophobicContact CB-CG1 4.35Å; I153-R155 PolarHBondContact O-N 3.21Å; I153-Y158 HydrophobicContact CG2-CD1 4.42Å |
| 154 | C | 98.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 126.5 | 172.9 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | C101 S156 Y158 S159 L161 | C101-C154 PolarHBondContact SG-SG 3.05Å; C154-S156 VanDerWaalsContact C-N 3.3Å; C154-S156 PolarHBondContact O-N 3.47Å; C154-Y158 WeakPolarHBondContact O-CA 3.44Å; C154-Y158 PolarHBondContact O-N 2.8Å; C154-S159 PolarHBondContact N-O 3.04Å; C154-L161 HydrophobicContact CB-CD1 3.8Å; C154-L161 HydrophobicContact CB-CD2 4.15Å; C154-L161 HydrophobicContact CB-CG 3.99Å |
| 155 | R | 97.9 | Very high | 95 | Very high | 145 Ų | 145 | 38.4 Ų | 38.4 | 55% | 0.547 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -33.5 | -179.9 | -178.8 | 168.3 | -173.1 | 159.7 | 2.1 | 114.4 | N128 N129 I131 I153 | N128-R155 WeakPolarHBondContact O-CD 3.27Å; N128-R155 PolarHBondContact O-NH1 3.3Å; N129-R155 WeakPolarHBondContact O-CB 3.35Å; N129-R155 PolarHBondContact O-N 3.02Å; I131-R155 HydrophobicContact CD1-CB 3.97Å; I131-R155 HydrophobicContact CD1-CG 4.04Å; I131-R155 HydrophobicContact CG1-CB 3.99Å; I131-R155 HydrophobicContact CG1-CG 4.35Å; I153-R155 PolarHBondContact O-N 3.21Å |
| 156 | S | 97.8 | Very high | 95.5 | Very high | 74 Ų | 74 | 41.2 Ų | 41.2 | 52% | 0.517 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -46.5 | -175.2 | 168.4 | 0 | 0 | 0 | 0 | 112.9 | C154 | C154-S156 VanDerWaalsContact C-N 3.3Å; C154-S156 PolarHBondContact O-N 3.47Å |
| 157 | C | 97.6 | Very high | 95.6 | Very high | 28 Ų | 28 | 41.5 Ų | 41.5 | 19% | 0.189 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 5 | -171.8 | 71.4 | 0 | 0 | 0 | 0 | 115 | C98 K100 C101 S159 | C98-C157 VanDerWaalsContact SG-SG 3.67Å; K100-C157 HydrophobicContact CD-CB 4.31Å; C101-C157 HydrophobicContact CB-CB 3.72Å; C101-C157 PolarHBondContact SG-SG 2.86Å; C157-S159 PolarHBondContact O-N 2.81Å; C157-S159 PolarHBondContact SG-OG 3.07Å |
| 158 | Y | 97.3 | Very high | 95.6 | Very high | 177 Ų | 177 | 42.3 Ų | 42.3 | 69% | 0.694 | 22% | 0.222 | S | C | * | . | trans | 55.4 | 18.9 | 177.6 | -57.4 | -83.7 | 0 | 0 | 0 | 115.1 | I153 C154 | I153-Y158 HydrophobicContact CG2-CD1 4.42Å; C154-Y158 WeakPolarHBondContact O-CA 3.44Å; C154-Y158 PolarHBondContact O-N 2.8Å | ||
| 159 | S | 97.1 | Very high | 95.5 | Very high | 25 Ų | 25 | 41.8 Ų | 41.8 | 18% | 0.175 | 22% | 0.222 | C | C | . | . | trans | -73.8 | 143.9 | 173.7 | 62.7 | 0 | 0 | 0 | 0 | 110.9 | C154 C157 L161 | C154-S159 PolarHBondContact N-O 3.04Å; C157-S159 PolarHBondContact O-N 2.81Å; C157-S159 PolarHBondContact SG-OG 3.07Å; S159-L161 PolarHBondContact O-N 3.46Å | ||
| 160 | L | 97.4 | Very high | 95.3 | Very high | 98 Ų | 98 | 53.2 Ų | 53.2 | 51% | 0.513 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 127.3 | 168.6 | -173.9 | 67.1 | 0 | 0 | 0 | 110.1 | D151 G162 S185 | D151-L160 HydrophobicContact CB-CD1 3.57Å; D151-L160 VanDerWaalsContact CG-CD1 3.48Å; L160-G162 WeakPolarHBondContact CD1-O 3.44Å; L160-S185 WeakPolarHBondContact O-CB 3.47Å |
| 161 | L | 97.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | -19.2 | 179.2 | -63 | 176.3 | 0 | 0 | 0 | 112.7 | C98 I105 V130 L152 C154 S159 L181 S182 S185 I186 | C98-L161 HydrophobicContact CB-CD2 4.16Å; I105-L161 HydrophobicContact CD1-CD1 4.23Å; I105-L161 HydrophobicContact CD1-CD2 4.43Å; I105-L161 HydrophobicContact CG2-CD1 3.83Å; V130-L161 HydrophobicContact CG1-CD1 4.43Å; V130-L161 HydrophobicContact CG2-CD1 4.06Å; L152-L161 HydrophobicContact CB-CB 4.44Å; L152-L161 PolarHBondContact O-N 3.49Å; C154-L161 HydrophobicContact CB-CD1 3.8Å; C154-L161 HydrophobicContact CB-CD2 4.15Å; C154-L161 HydrophobicContact CB-CG 3.99Å; S159-L161 PolarHBondContact O-N 3.46Å; L161-L181 HydrophobicContact CB-CD2 4.2Å; L161-L181 CarbonylContact O-C 3.52Å; L161-L181 WeakPolarHBondContact O-CA 3.25Å; L161-S182 PolarHBondContact O-N 3.01Å; L161-S185 WeakPolarHBondContact CA-OG 3.38Å; L161-S185 PolarHBondContact O-OG 3.04Å; L161-I186 HydrophobicContact CD2-CG2 4.42Å |
| 162 | G | 96.3 | Very high | 94.4 | Very high | 9 Ų | 9 | 56.1 Ų | 56.1 | 9% | 0.093 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 152.4 | -148.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L152 L160 C180 | L152-G162 PolarHBondContact N-O 2.85Å; L160-G162 WeakPolarHBondContact CD1-O 3.44Å; G162-C180 CarbonylContact C-O 3.48Å; G162-C180 VanDerWaalsContact CA-O 3.27Å; G162-C180 WeakPolarHBondContact CA-O 3.24Å |
| 163 | M | 95.4 | Very high | 94 | Very high | 18 Ų | 18 | 59.2 Ų | 59.2 | 9% | 0.089 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 165.3 | -174.8 | 63.7 | -168 | -177.7 | 0 | 0 | 112.8 | L139 V149 V150 L152 C180 | L139-M163 HydrophobicContact CD2-CE 3.55Å; L139-M163 HydrophobicContact CD2-SD 4.19Å; V149-M163 HydrophobicContact CB-CB 4.41Å; V149-M163 HydrophobicContact CB-SD 4.36Å; V149-M163 HydrophobicContact CG1-SD 4.2Å; V149-M163 HydrophobicContact CG2-SD 4.45Å; V150-M163 CarbonylContact O-C 3.49Å; V150-M163 WeakPolarHBondContact O-CA 3.32Å; V150-M163 WeakPolarHBondContact O-CB 3.5Å; L152-M163 WeakPolarHBondContact CD1-O 2.88Å; M163-C180 HydrophobicContact CG-CB 4.41Å; M163-C180 PolarHBondContact N-O 3.47Å; M163-C180 WeakPolarHBondContact O-CA 3.33Å; M163-C180 WeakPolarHBondContact O-CB 3.22Å; M163-C180 PolarHBondContact O-N 3.17Å; M163-C180 VanDerWaalsContact O-O 3.12Å |
| 164 | V | 95.1 | Very high | 93.4 | Very high | 12 Ų | 12 | 63 Ų | 63 | 7% | 0.073 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 136.4 | 171.5 | 58.6 | 0 | 0 | 0 | 0 | 110 | I132 V149 V150 L152 T166 T178 | I132-V164 HydrophobicContact CG2-CG1 4.28Å; V149-V164 VanDerWaalsContact CA-O 3.27Å; V149-V164 WeakPolarHBondContact CA-O 3.38Å; V150-V164 HydrophobicContact CB-CG1 4.15Å; V150-V164 PolarHBondContact N-O 3.01Å; V150-V164 PolarHBondContact O-N 2.93Å; L152-V164 HydrophobicContact CD2-CB 4.32Å; L152-V164 HydrophobicContact CD2-CG1 4.11Å; V164-T166 PolarHBondContact O-N 2.77Å; V164-T178 WeakPolarHBondContact CG2-O 3.43Å |
| 165 | Y | 92.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 63.9 Ų | 63.9 | 0% | 0.004 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 117.6 | 175.7 | -66.7 | -77.7 | 0 | 0 | 0 | 111 | Q118 L139 M141 C147 V149 T168 K175 S177 C180 | Q118-Y165 PolarHBondContact OE1-OH 2.8Å; L139-Y165 HydrophobicContact CD2-CE1 3.81Å; L139-Y165 WeakPolarHBondContact CD2-OH 3.4Å; M141-Y165 HydrophobicContact CE-CD1 4.12Å; M141-Y165 HydrophobicContact CE-CE1 3.17Å; M141-Y165 VanDerWaalsContact CE-CZ 3.43Å; M141-Y165 VanDerWaalsContact CE-OH 3.26Å; M141-Y165 WeakPolarHBondContact CE-OH 3.34Å; M141-Y165 HydrophobicContact SD-CE1 4.48Å; C147-Y165 HydrophobicContact CB-CD1 3.78Å; C147-Y165 HydrophobicContact CB-CE1 3.99Å; V149-Y165 HydrophobicContact CG1-CD1 3.29Å; V149-Y165 HydrophobicContact CG1-CE1 3.46Å; V149-Y165 VanDerWaalsContact CG1-CE1 3.46Å; V149-Y165 HydrophobicContact CG1-CG 4.03Å; Y165-T168 HydrophobicContact CD1-CG2 4.18Å; Y165-T168 HydrophobicContact CG-CG2 4.17Å; Y165-K175 HydrophobicContact CD2-CB 3.9Å; Y165-K175 HydrophobicContact CE2-CB 4.13Å; Y165-K175 HydrophobicContact CE2-CD 4.27Å; Y165-K175 HydrophobicContact CG-CB 4.39Å; Y165-S177 PolarHBondContact O-N 2.67Å; Y165-C180 VanDerWaalsContact CE2-SG 3.56Å |
| 166 | T | 90.9 | Very high | 92.2 | Very high | 69 Ų | 69 | 62.4 Ų | 62.4 | 42% | 0.423 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -37 | 177.8 | 56.1 | 0 | 0 | 0 | 0 | 112.4 | L148 V150 V164 | L148-T166 WeakPolarHBondContact CB-OG1 3.08Å; L148-T166 PolarHBondContact O-N 3.12Å; L148-T166 PolarHBondContact O-OG1 3Å; V150-T166 HydrophobicContact CB-CG2 4.28Å; V150-T166 HydrophobicContact CG2-CG2 3.55Å; V164-T166 PolarHBondContact O-N 2.77Å |
| 167 | S | 89.9 | Confident | 91.3 | Very high | 60 Ų | 60 | 62.8 Ų | 62.8 | 42% | 0.42 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 129.9 | 173.6 | -174.9 | 0 | 0 | 0 | 0 | 110.4 | C147 L148 | C147-S167 WeakPolarHBondContact CA-O 3.38Å; C147-S167 WeakPolarHBondContact CB-O 3.46Å; L148-S167 PolarHBondContact N-O 2.63Å; L148-S167 PolarHBondContact O-N 3.43Å |
| 168 | T | 90.8 | Very high | 91 | Very high | 18 Ų | 18 | 62 Ų | 62 | 11% | 0.11 | 31% | 0.308 | C | S | . | . | trans | -133.2 | 140.7 | -177.3 | 47.4 | 0 | 0 | 0 | 0 | 110 | Y165 D173 R176 | Y165-T168 HydrophobicContact CD1-CG2 4.18Å; Y165-T168 HydrophobicContact CG-CG2 4.17Å; T168-D173 PolarHBondContact OG1-OD1 3.37Å; T168-D173 VanDerWaalsContact OG1-OD1 3.04Å; T168-R176 HydrophobicContact CG2-CB 4.28Å | ||
| 169 | P | 90.3 | Very high | 91 | Very high | 39 Ų | 39 | 55.3 Ų | 55.3 | 25% | 0.253 | 28% | 0.283 | S | S | . | . | trans | -67.1 | 161.5 | 168 | 28.6 | -31.3 | 0 | 0 | 0 | 110.5 | C147 N171 L172 D173 | C147-P169 WeakPolarHBondContact SG-CD 3.46Å; P169-N171 WeakPolarHBondContact CB-OD1 3.19Å; P169-N171 WeakPolarHBondContact CG-OD1 2.98Å; P169-N171 PolarHBondContact O-N 3.06Å; P169-N171 VanDerWaalsContact O-N 3.11Å; P169-L172 HydrophobicContact CG-CB 4.18Å; P169-L172 HydrophobicContact CG-CD1 3.83Å; P169-L172 HydrophobicContact CG-CG 4.14Å; P169-L172 CarbonylContact O-C 3.58Å; P169-L172 WeakPolarHBondContact O-CA 3.25Å; P169-L172 PolarHBondContact O-N 3.17Å; P169-D173 PolarHBondContact O-N 2.97Å | ||
| 170 | R | 90 | Very high | 90.9 | Very high | 240 Ų | 240 | 54.1 Ų | 54.1 | 91% | 0.906 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -55.3 | -36 | -170.8 | -167.4 | -178.8 | -169.5 | -157.2 | 3.2 | 114.1 | L172 | R170-L172 PolarHBondContact O-N 3.5Š|
| 171 | N | 86.9 | Confident | 90.9 | Very high | 99 Ų | 99 | 49.5 Ų | 49.5 | 53% | 0.529 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -70.7 | -15 | 178 | 62.6 | -37 | 0 | 0 | 0 | 113.5 | P169 H174 | P169-N171 WeakPolarHBondContact CB-OD1 3.19Å; P169-N171 WeakPolarHBondContact CG-OD1 2.98Å; P169-N171 PolarHBondContact O-N 3.06Å; P169-N171 VanDerWaalsContact O-N 3.11Å; N171-H174 PolarHBondContact O-CE1 3.08Å; N171-H174 PolarHBondContact O-ND1 3.08Å |
| 172 | L | 87.7 | Confident | 90.8 | Very high | 21 Ų | 21 | 51.1 Ų | 51.1 | 11% | 0.11 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -117.5 | 10.6 | -178.4 | -60.4 | 179.3 | 0 | 0 | 0 | 112.9 | M141 P169 R170 H174 K175 | M141-L172 HydrophobicContact CB-CD1 4.49Å; M141-L172 HydrophobicContact CE-CD1 3.92Å; M141-L172 HydrophobicContact CG-CD1 4.45Å; M141-L172 HydrophobicContact SD-CD1 3.23Å; M141-L172 WeakPolarHBondContact SD-CD1 3.49Å; P169-L172 HydrophobicContact CG-CB 4.18Å; P169-L172 HydrophobicContact CG-CD1 3.83Å; P169-L172 HydrophobicContact CG-CG 4.14Å; P169-L172 CarbonylContact O-C 3.58Å; P169-L172 WeakPolarHBondContact O-CA 3.25Å; P169-L172 PolarHBondContact O-N 3.17Å; R170-L172 PolarHBondContact O-N 3.5Å; L172-H174 PolarHBondContact O-N 3.16Å; L172-H174 VanDerWaalsContact O-N 3.14Å; L172-K175 HydrophobicContact CD2-CD 4.5Å; L172-K175 WeakPolarHBondContact O-CB 3.31Å; L172-K175 PolarHBondContact O-N 3.2Å |
| 173 | D | 89.3 | Confident | 90.8 | Very high | 65 Ų | 65 | 52.5 Ų | 52.5 | 35% | 0.348 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -63.4 | -24.8 | -175.1 | -146 | 46.5 | 0 | 0 | 0 | 113.1 | T168 P169 K175 R176 | T168-D173 PolarHBondContact OG1-OD1 3.37Å; T168-D173 VanDerWaalsContact OG1-OD1 3.04Å; P169-D173 PolarHBondContact O-N 2.97Å; D173-K175 PolarHBondContact O-N 2.81Å; D173-R176 VanDerWaalsContact O-CB 3.23Å; D173-R176 WeakPolarHBondContact O-CB 3.34Å; D173-R176 PolarHBondContact O-N 2.91Å; D173-R176 VanDerWaalsContact O-N 3.09Å; D173-R176 IonicContact OD1-CZ 3.57Å; D173-R176 IonicContact OD1-NH1 2.64Å; D173-R176 PolarHBondContact OD1-NH1 2.96Å; D173-R176 IonicContact OD2-CZ 3.57Å; D173-R176 IonicContact OD2-NH1 2.73Å; D173-R176 PolarHBondContact OD2-NH1 2.81Å; D173-R176 IonicContact OD2-NH2 3.87Å |
| 174 | H | 85.1 | Confident | 90.8 | Very high | 124 Ų | 124 | 53.5 Ų | 53.5 | 57% | 0.574 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -64.8 | -14.4 | 172.6 | 68.1 | -87.2 | 0 | 0 | 0 | 113.8 | N171 L172 | N171-H174 PolarHBondContact O-CE1 3.08Å; N171-H174 PolarHBondContact O-ND1 3.08Å; L172-H174 PolarHBondContact O-N 3.16Å; L172-H174 VanDerWaalsContact O-N 3.14Å |
| 175 | K | 84.6 | Confident | 90.8 | Very high | 19 Ų | 19 | 54 Ų | 54 | 8% | 0.083 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -91.4 | -15.9 | 174.4 | -58.3 | -169.5 | 173.7 | -166 | 0 | 112.8 | E115 M141 Y165 L172 D173 T178 | E115-K175 WeakPolarHBondContact OE1-CE 3.27Å; E115-K175 IonicContact OE1-NZ 3.87Å; E115-K175 PolarHBondContact OE1-NZ 2.74Å; E115-K175 IonicContact OE2-NZ 2.58Å; E115-K175 PolarHBondContact OE2-NZ 3.41Å; M141-K175 HydrophobicContact CE-CD 4.02Å; Y165-K175 HydrophobicContact CD2-CB 3.9Å; Y165-K175 HydrophobicContact CE2-CB 4.13Å; Y165-K175 HydrophobicContact CE2-CD 4.27Å; Y165-K175 HydrophobicContact CG-CB 4.39Å; L172-K175 HydrophobicContact CD2-CD 4.5Å; L172-K175 WeakPolarHBondContact O-CB 3.31Å; L172-K175 PolarHBondContact O-N 3.2Å; D173-K175 PolarHBondContact O-N 2.81Å; K175-T178 PolarHBondContact O-OG1 3.46Å |
| 176 | R | 86.6 | Confident | 91 | Very high | 114 Ų | 114 | 54.7 Ų | 54.7 | 43% | 0.43 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | 143.9 | -175 | -161.2 | 178.3 | 69.5 | -138.5 | -3.5 | 110.7 | T168 D173 T178 | T168-R176 HydrophobicContact CG2-CB 4.28Å; D173-R176 VanDerWaalsContact O-CB 3.23Å; D173-R176 WeakPolarHBondContact O-CB 3.34Å; D173-R176 PolarHBondContact O-N 2.91Å; D173-R176 VanDerWaalsContact O-N 3.09Å; D173-R176 IonicContact OD1-CZ 3.57Å; D173-R176 IonicContact OD1-NH1 2.64Å; D173-R176 PolarHBondContact OD1-NH1 2.96Å; D173-R176 IonicContact OD2-CZ 3.57Å; D173-R176 IonicContact OD2-NH1 2.73Å; D173-R176 PolarHBondContact OD2-NH1 2.81Å; D173-R176 IonicContact OD2-NH2 3.87Å; R176-T178 PolarHBondContact O-N 2.94Å; R176-T178 VanDerWaalsContact O-N 3.13Å |
| 177 | S | 79.8 | Confident | 91.2 | Very high | 83 Ų | 83 | 53.9 Ų | 53.9 | 58% | 0.58 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 22.2 | 172.3 | -52.7 | 0 | 0 | 0 | 0 | 115 | Y165 | Y165-S177 PolarHBondContact O-N 2.67Š|
| 178 | T | 91.6 | Very high | 91.3 | Very high | 11 Ų | 11 | 54.2 Ų | 54.2 | 7% | 0.067 | 28% | 0.282 | C | S | . | . | trans | -107.9 | 140.5 | 171.3 | 61.9 | 0 | 0 | 0 | 0 | 110 | D112 V164 K175 R176 C180 | D112-T178 WeakPolarHBondContact OD2-CG2 3.43Å; V164-T178 WeakPolarHBondContact CG2-O 3.43Å; K175-T178 PolarHBondContact O-OG1 3.46Å; R176-T178 PolarHBondContact O-N 2.94Å; R176-T178 VanDerWaalsContact O-N 3.13Å; T178-C180 PolarHBondContact O-N 3.12Å | ||
| 179 | F | 95.9 | Very high | 91.3 | Very high | 37 Ų | 37 | 58.5 Ų | 58.5 | 16% | 0.162 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 111.1 | 179.2 | -65 | -88 | 0 | 0 | 0 | 109 | K122 L123 V126 I132 L152 | K122-F179 WeakPolarHBondContact CA-O 3.46Å; L123-F179 PolarHBondContact N-O 3.25Å; L123-F179 PolarHBondContact O-N 2.85Å; V126-F179 HydrophobicContact CB-CD1 4.49Å; V126-F179 HydrophobicContact CB-CG 4.46Å; V126-F179 HydrophobicContact CG1-CB 3.69Å; V126-F179 HydrophobicContact CG1-CD1 3.99Å; V126-F179 HydrophobicContact CG1-CD2 4.13Å; V126-F179 HydrophobicContact CG1-CG 3.67Å; V126-F179 HydrophobicContact CG2-CD1 3.66Å; V126-F179 HydrophobicContact CG2-CD2 4.27Å; V126-F179 HydrophobicContact CG2-CE1 3.58Å; V126-F179 HydrophobicContact CG2-CE2 4.2Å; V126-F179 HydrophobicContact CG2-CG 4.02Å; V126-F179 HydrophobicContact CG2-CZ 3.86Å; I132-F179 HydrophobicContact CD1-CE1 4.14Å; I132-F179 HydrophobicContact CG1-CE1 4.37Å; L152-F179 HydrophobicContact CD1-CB 4.05Å; L152-F179 HydrophobicContact CD1-CD1 3.9Å; L152-F179 HydrophobicContact CD1-CG 4.5Å; L152-F179 HydrophobicContact CD2-CD1 3.74Å; L152-F179 HydrophobicContact CD2-CE1 4.11Å; L152-F179 HydrophobicContact CG-CD1 4.49Å |
| 180 | C | 95.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 107.1 | -179 | -49.5 | 0 | 0 | 0 | 0 | 109.5 | I121 G162 M163 Y165 T178 | I121-C180 CarbonylContact O-C 3.5Å; I121-C180 WeakPolarHBondContact O-CA 3.44Å; G162-C180 CarbonylContact C-O 3.48Å; G162-C180 VanDerWaalsContact CA-O 3.27Å; G162-C180 WeakPolarHBondContact CA-O 3.24Å; M163-C180 HydrophobicContact CG-CB 4.41Å; M163-C180 PolarHBondContact N-O 3.47Å; M163-C180 WeakPolarHBondContact O-CA 3.33Å; M163-C180 WeakPolarHBondContact O-CB 3.22Å; M163-C180 PolarHBondContact O-N 3.17Å; M163-C180 VanDerWaalsContact O-O 3.12Å; Y165-C180 VanDerWaalsContact CE2-SG 3.56Å; T178-C180 PolarHBondContact O-N 3.12Å |
| 181 | L | 97.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 132 | -179.4 | -58.6 | 173.6 | 0 | 0 | 0 | 110.3 | I105 Q120 I121 L123 L152 L161 V183 I186 | I105-L181 HydrophobicContact CD1-CD1 3.98Å; I105-L181 HydrophobicContact CD1-CD2 4.44Å; Q120-L181 CarbonylContact C-O 3.5Å; Q120-L181 VanDerWaalsContact CA-O 3.24Å; Q120-L181 WeakPolarHBondContact CA-O 3.4Å; I121-L181 HydrophobicContact CD1-CB 4.47Å; I121-L181 HydrophobicContact CD1-CD1 4.36Å; I121-L181 HydrophobicContact CG1-CB 3.86Å; I121-L181 HydrophobicContact CG1-CD1 4.49Å; I121-L181 PolarHBondContact N-O 2.99Å; I121-L181 PolarHBondContact O-N 3.42Å; L123-L181 HydrophobicContact CD1-CD1 3.67Å; L123-L181 HydrophobicContact CG-CD1 4.31Å; L152-L181 HydrophobicContact CD1-CD2 3.95Å; L161-L181 HydrophobicContact CB-CD2 4.2Å; L161-L181 CarbonylContact O-C 3.52Å; L161-L181 WeakPolarHBondContact O-CA 3.25Å; L181-V183 PolarHBondContact O-N 3.36Å; L181-I186 HydrophobicContact CB-CD1 3.97Å; L181-I186 HydrophobicContact CB-CG2 4.32Å; L181-I186 HydrophobicContact CD1-CD1 4.41Å |
| 182 | S | 96.4 | Very high | 90.9 | Very high | 34 Ų | 34 | 48.6 Ų | 48.6 | 24% | 0.238 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 123.9 | 175.7 | 179.1 | 0 | 0 | 0 | 0 | 110.2 | L161 A184 S185 I186 | L161-S182 PolarHBondContact O-N 3.01Å; S182-A184 PolarHBondContact O-N 3.3Å; S182-A184 VanDerWaalsContact O-N 3.12Å; S182-S185 PolarHBondContact O-N 3.43Å; S182-S185 PolarHBondContact O-OG 2.95Å; S182-I186 PolarHBondContact O-N 3.42Å |
| 183 | V | 95.1 | Very high | 90.1 | Very high | 38 Ų | 38 | 50 Ų | 50 | 23% | 0.23 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -58.2 | -28.4 | 178.5 | 174.6 | 0 | 0 | 0 | 0 | 111.8 | N119 I121 L181 S185 | N119-V183 WeakPolarHBondContact O-CB 3.34Å; N119-V183 WeakPolarHBondContact O-CG2 3.39Å; N119-V183 PolarHBondContact O-N 2.92Å; I121-V183 HydrophobicContact CG2-CG2 3.97Å; L181-V183 PolarHBondContact O-N 3.36Å; V183-S185 VanDerWaalsContact C-N 3.27Å; V183-S185 PolarHBondContact O-N 3.15Å |
| 184 | A | 95.3 | Very high | 88.8 | Confident | 40 Ų | 40 | 50.2 Ų | 50.2 | 33% | 0.331 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -71 | -21.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S182 | S182-A184 PolarHBondContact O-N 3.3Å; S182-A184 VanDerWaalsContact O-N 3.12Å |
| 185 | S | 96 | Very high | 87.3 | Confident | 23 Ų | 23 | 47.4 Ų | 47.4 | 16% | 0.161 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -100.9 | -7.2 | -173.4 | 72.1 | 0 | 0 | 0 | 0 | 114 | G99 L160 L161 S182 V183 | G99-S185 PolarHBondContact N-O 2.9Å; L160-S185 WeakPolarHBondContact O-CB 3.47Å; L161-S185 WeakPolarHBondContact CA-OG 3.38Å; L161-S185 PolarHBondContact O-OG 3.04Å; S182-S185 PolarHBondContact O-N 3.43Å; S182-S185 PolarHBondContact O-OG 2.95Å; V183-S185 VanDerWaalsContact C-N 3.27Å; V183-S185 PolarHBondContact O-N 3.15Å |
| 186 | I | 96.1 | Very high | 85.8 | Confident | 14 Ų | 14 | 53 Ų | 53 | 7% | 0.072 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 155.2 | -174.1 | 70.7 | 176.9 | 0 | 0 | 0 | 110.9 | F96 I97 I105 I121 L161 L181 S182 | F96-I186 HydrophobicContact CD1-CD1 4.28Å; I97-I186 CarbonylContact O-C 3.57Å; I97-I186 VanDerWaalsContact O-CA 3.27Å; I97-I186 WeakPolarHBondContact O-CA 3.32Å; I105-I186 HydrophobicContact CD1-CB 4.16Å; I105-I186 HydrophobicContact CD1-CG2 3.4Å; I105-I186 VanDerWaalsContact CD1-CG2 3.4Å; I121-I186 HydrophobicContact CD1-CD1 3.44Å; I121-I186 VanDerWaalsContact CD1-CD1 3.44Å; I121-I186 HydrophobicContact CG1-CD1 3.84Å; L161-I186 HydrophobicContact CD2-CG2 4.42Å; L181-I186 HydrophobicContact CB-CD1 3.97Å; L181-I186 HydrophobicContact CB-CG2 4.32Å; L181-I186 HydrophobicContact CD1-CD1 4.41Å; S182-I186 PolarHBondContact O-N 3.42Å |
| 187 | D | 95.4 | Very high | 83.7 | Confident | 52 Ų | 52 | 56.2 Ų | 56.2 | 28% | 0.278 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 160.4 | 168.8 | -69.4 | -31.5 | 0 | 0 | 0 | 109.4 | F96 I97 R102 | F96-D187 WeakPolarHBondContact CA-O 3.1Å; I97-D187 PolarHBondContact N-O 3.01Å; I97-D187 PolarHBondContact O-N 3.32Å; R102-D187 IonicContact CZ-OD2 3.17Å; R102-D187 VanDerWaalsContact CZ-OD2 3.31Å; R102-D187 IonicContact NH1-OD2 3.31Å; R102-D187 PolarHBondContact NH1-OD2 2.94Å; R102-D187 IonicContact NH2-OD2 2.77Å |
| 188 | S | 92.4 | Very high | 81.9 | Confident | 67 Ų | 67 | 58.3 Ų | 58.3 | 47% | 0.469 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 140 | 178.2 | 57.4 | 0 | 0 | 0 | 0 | 111.6 | V95 | V95-S188 CarbonylContact O-C 3.5Å; V95-S188 WeakPolarHBondContact O-CA 3.44Å |
| 189 | Y | 90.9 | Very high | 79.6 | Confident | 109 Ų | 109 | 62.8 Ų | 62.8 | 43% | 0.427 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 123.3 | 173.8 | 177.2 | -110.7 | 0 | 0 | 0 | 110.5 | V94 V95 L191 | V94-Y189 CarbonylContact C-O 3.59Å; V94-Y189 WeakPolarHBondContact CA-O 3.43Å; V95-Y189 PolarHBondContact N-O 3.48Å; V95-Y189 PolarHBondContact O-N 2.82Å; Y189-L191 HydrophobicContact CD1-CD2 3.83Å; Y189-L191 HydrophobicContact CE1-CD2 3.66Å |
| 190 | V | 90.5 | Very high | 76.8 | Confident | 22 Ų | 22 | 65.2 Ų | 65.2 | 13% | 0.133 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 119.1 | 177.7 | -175.6 | 0 | 0 | 0 | 0 | 108.8 | F35 D91 G92 V94 S193 | F35-V190 HydrophobicContact CB-CG2 4.41Å; D91-V190 HydrophobicContact CB-CG1 4.41Å; G92-V190 WeakPolarHBondContact O-CG1 3.38Å; V94-V190 HydrophobicContact CG2-CG2 4Å; V190-S193 WeakPolarHBondContact O-CB 3.48Å; V190-S193 PolarHBondContact O-N 3.28Å; V190-S193 PolarHBondContact O-OG 3.05Å |
| 191 | L | 86.1 | Confident | 74.3 | Confident | 79 Ų | 79 | 74.9 Ų | 74.9 | 41% | 0.414 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | 138.3 | 176.8 | -63.2 | -176.6 | 0 | 0 | 0 | 110.2 | P93 V95 Y189 S193 | P93-L191 HydrophobicContact CB-CD1 4.45Å; P93-L191 HydrophobicContact CG-CB 4.13Å; P93-L191 HydrophobicContact CG-CD1 3.98Å; P93-L191 HydrophobicContact CG-CG 4.44Å; P93-L191 WeakPolarHBondContact O-CB 3.36Å; P93-L191 WeakPolarHBondContact O-CG 3.44Å; P93-L191 PolarHBondContact O-N 3.38Å; V95-L191 HydrophobicContact CG2-CD1 4.05Å; V95-L191 HydrophobicContact CG2-CD2 3.94Å; V95-L191 HydrophobicContact CG2-CG 3.97Å; Y189-L191 HydrophobicContact CD1-CD2 3.83Å; Y189-L191 HydrophobicContact CE1-CD2 3.66Å; L191-S193 VanDerWaalsContact C-N 3.31Å; L191-S193 PolarHBondContact O-N 3.48Å |
| 192 | G | 81.4 | Confident | 72 | Confident | 69 Ų | 69 | 77.4 Ų | 77.4 | 71% | 0.711 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.5 | -6.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | G194 G195 | G192-G194 PolarHBondContact O-N 2.96Å; G192-G195 PolarHBondContact O-N 2.96Å |
| 193 | S | 71.4 | Confident | 69.7 | Low | 49 Ų | 49 | 82.4 Ų | 82.4 | 34% | 0.343 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -67.5 | -16.6 | 178.1 | 58.9 | 0 | 0 | 0 | 0 | 114.9 | V190 L191 G195 Q196 | V190-S193 WeakPolarHBondContact O-CB 3.48Å; V190-S193 PolarHBondContact O-N 3.28Å; V190-S193 PolarHBondContact O-OG 3.05Å; L191-S193 VanDerWaalsContact C-N 3.31Å; L191-S193 PolarHBondContact O-N 3.48Å; S193-G195 PolarHBondContact O-N 3.2Å; S193-Q196 PolarHBondContact O-N 3.41Å |
| 194 | G | 62.3 | Low | 67.5 | Low | 71 Ų | 71 | 89.2 Ų | 89.2 | 73% | 0.732 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -69.5 | -12.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | G192 | G192-G194 PolarHBondContact O-N 2.96Š|
| 195 | G | 53 | Low | 65.5 | Low | 64 Ų | 64 | 96.4 Ų | 96.4 | 66% | 0.66 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -89.3 | -8.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | G192 S193 M197 | G192-G195 PolarHBondContact O-N 2.96Å; S193-G195 PolarHBondContact O-N 3.2Å; G195-M197 VanDerWaalsContact C-N 3.33Å; G195-M197 PolarHBondContact O-N 3.37Å |
| 196 | Q | 52.6 | Low | 63.4 | Low | 138 Ų | 138 | 100.8 Ų | 100.8 | 65% | 0.645 | 60% | 0.602 | S | S | * | * | trans | -77.9 | 88.7 | 173.1 | -79.5 | 178.1 | 18.1 | 0 | 0 | 108.6 | S193 L198 | S193-Q196 PolarHBondContact O-N 3.41Å; Q196-L198 PolarHBondContact O-N 3.17Å | ||
| 197 | M | 41.8 | Very low | 61.3 | Low | 181 Ų | 181 | 107.4 Ų | 107.4 | 89% | 0.892 | 64% | 0.637 | S | S | * | * | trans | -51.4 | 112.3 | 168.4 | -72.5 | -176.7 | 65.3 | 0 | 0 | 108.5 | G195 A199 | G195-M197 VanDerWaalsContact C-N 3.33Å; G195-M197 PolarHBondContact O-N 3.37Å; M197-A199 PolarHBondContact O-N 2.94Å | ||
| 198 | L | 42.5 | Very low | 59.7 | Low | 126 Ų | 126 | 110 Ų | 110 | 66% | 0.66 | 66% | 0.655 | S | S | * | * | trans | -52.3 | 123.4 | 168.7 | -67.5 | 167.8 | 0 | 0 | 0 | 107.5 | F39 Q196 A200 | F39-L198 HydrophobicContact CE2-CD2 4.06Å; F39-L198 HydrophobicContact CZ-CD2 3.87Å; Q196-L198 PolarHBondContact O-N 3.17Å; L198-A200 PolarHBondContact O-N 3.1Å | ||
| 199 | A | 43.3 | Very low | 59 | Low | 105 Ų | 105 | 110.4 Ų | 110.4 | 87% | 0.868 | 65% | 0.654 | S | S | * | * | trans | -54.4 | 107.6 | 163 | 0 | 0 | 0 | 0 | 0 | 106.6 | M197 E201 | M197-A199 PolarHBondContact O-N 2.94Å; A199-E201 PolarHBondContact O-N 3.16Å | ||
| 200 | A | 38.1 | Very low | 58.3 | Low | 88 Ų | 88 | 112.4 Ų | 112.4 | 73% | 0.727 | 67% | 0.672 | S | S | * | * | trans | -72 | 110.8 | -165.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | L198 | L198-A200 PolarHBondContact O-N 3.1Š| ||
| 201 | E | 43.3 | Very low | 57.8 | Low | 203 Ų | 203 | 119 Ų | 119 | 95% | 0.949 | 70% | 0.701 | S | S | * | * | trans | -139.4 | 88.6 | 152.6 | -73.1 | -160 | -178.7 | 0 | 0 | 109.6 | A199 | A199-E201 PolarHBondContact O-N 3.16Š| ||
| 202 | G | 47.2 | Very low | 57.6 | Low | 54 Ų | 54 | 120.1 Ų | 120.1 | 56% | 0.557 | 70% | 0.7 | S | S | * | * | S | Bend | trans | 169.1 | 144.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K204 | G202-K204 PolarHBondContact O-N 3.25Š|
| 203 | P | 48.1 | Very low | 57.9 | Low | 138 Ų | 138 | 123.9 Ų | 123.9 | 90% | 0.896 | 69% | 0.693 | S | S | * | * | trans | -57.2 | 123.2 | 178.5 | -21 | 32 | 0 | 0 | 0 | 110.8 | E205 | P203-E205 PolarHBondContact O-N 3.49Š| ||
| 204 | K | 49.8 | Very low | 58.7 | Low | 181 Ų | 181 | 127.1 Ų | 127.1 | 79% | 0.787 | 70% | 0.702 | S | S | * | * | trans | -61.2 | 98.7 | -170 | -63.9 | 171.3 | 178.8 | 176 | 0 | 112.5 | G202 Q206 | G202-K204 PolarHBondContact O-N 3.25Å; K204-Q206 PolarHBondContact O-N 3.24Å; K204-Q206 VanDerWaalsContact O-N 3.13Å | ||
| 205 | E | 53 | Low | 59.9 | Low | 191 Ų | 191 | 127.3 Ų | 127.3 | 89% | 0.893 | 69% | 0.687 | S | S | * | * | trans | -78.2 | 80.1 | 144.1 | -81.8 | -179 | 169.2 | 0 | 0 | 107 | P203 L207 | P203-E205 PolarHBondContact O-N 3.49Å; E205-L207 PolarHBondContact O-N 3.5Å; E205-L207 VanDerWaalsContact O-N 3.16Å | ||
| 206 | Q | 51.3 | Low | 61.8 | Low | 115 Ų | 115 | 126.8 Ų | 126.8 | 54% | 0.537 | 67% | 0.671 | S | S | . | * | trans | -62.3 | 116.3 | 174.5 | -178.8 | 161.6 | -12.4 | 0 | 0 | 108.2 | K204 V208 | K204-Q206 PolarHBondContact O-N 3.24Å; K204-Q206 VanDerWaalsContact O-N 3.13Å; Q206-V208 PolarHBondContact O-N 2.81Å; Q206-V208 VanDerWaalsContact O-N 3.15Å | ||
| 207 | L | 51.8 | Low | 63.7 | Low | 154 Ų | 154 | 124.5 Ų | 124.5 | 81% | 0.806 | 66% | 0.66 | S | S | * | * | trans | -53.8 | 122.7 | 173.6 | -65.5 | 173.5 | 0 | 0 | 0 | 108.4 | E205 T209 | E205-L207 PolarHBondContact O-N 3.5Å; E205-L207 VanDerWaalsContact O-N 3.16Å; L207-T209 PolarHBondContact O-N 2.77Å | ||
| 208 | V | 62 | Low | 66.3 | Low | 107 Ų | 107 | 120.4 Ų | 120.4 | 65% | 0.648 | 64% | 0.639 | S | S | * | * | trans | -68.5 | 99.4 | -178.5 | 179.2 | 0 | 0 | 0 | 0 | 108 | Q206 Y212 R213 | Q206-V208 PolarHBondContact O-N 2.81Å; Q206-V208 VanDerWaalsContact O-N 3.15Å; V208-Y212 HydrophobicContact CG1-CD1 4.3Å; V208-R213 HydrophobicContact CG1-CB 4.15Å | ||
| 209 | T | 78.4 | Confident | 68.8 | Low | 74 Ų | 74 | 120.1 Ų | 120.1 | 45% | 0.454 | 63% | 0.634 | S | S | . | * | trans | -73.7 | 154.6 | 170.7 | 65 | 0 | 0 | 0 | 0 | 109.6 | L207 E211 Y212 R213 | L207-T209 PolarHBondContact O-N 2.77Å; T209-E211 PolarHBondContact O-N 3.49Å; T209-Y212 PolarHBondContact O-N 2.97Å; T209-Y212 VanDerWaalsContact O-N 3.17Å; T209-Y212 VanDerWaalsContact OG1-CB 3.24Å; T209-Y212 WeakPolarHBondContact OG1-CB 3.38Å; T209-Y212 PolarHBondContact OG1-N 3.28Å; T209-R213 PolarHBondContact O-N 3.48Å | ||
| 210 | L | 77.1 | Confident | 71.3 | Confident | 151 Ų | 151 | 120.6 Ų | 120.6 | 79% | 0.791 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -61.5 | -37.6 | 179.9 | -161.3 | 152.4 | 0 | 0 | 0 | 111.3 | R213 H214 | L210-R213 PolarHBondContact O-N 3.47Å; L210-H214 PolarHBondContact O-N 3.47Å |
| 211 | E | 79.1 | Confident | 74.1 | Confident | 160 Ų | 160 | 118.9 Ų | 118.9 | 75% | 0.748 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63.8 | -43.4 | 173.8 | -63.1 | 176.4 | 176.4 | 0 | 0 | 112.2 | T209 R213 H214 N215 | T209-E211 PolarHBondContact O-N 3.49Å; E211-R213 VanDerWaalsContact C-N 3.34Å; E211-R213 PolarHBondContact O-N 2.99Å; E211-H214 PolarHBondContact O-N 3.35Å; E211-N215 PolarHBondContact O-N 3.23Å |
| 212 | Y | 82.6 | Confident | 76.6 | Confident | 103 Ų | 103 | 114.5 Ų | 114.5 | 40% | 0.404 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.3 | -42 | 176.7 | 178.7 | -104.2 | 0 | 0 | 0 | 111.6 | V208 T209 H214 N215 V216 | V208-Y212 HydrophobicContact CG1-CD1 4.3Å; T209-Y212 PolarHBondContact O-N 2.97Å; T209-Y212 VanDerWaalsContact O-N 3.17Å; T209-Y212 VanDerWaalsContact OG1-CB 3.24Å; T209-Y212 WeakPolarHBondContact OG1-CB 3.38Å; T209-Y212 PolarHBondContact OG1-N 3.28Å; Y212-H214 PolarHBondContact O-N 3.06Å; Y212-N215 PolarHBondContact O-N 2.98Å; Y212-V216 HydrophobicContact CD1-CG2 4.26Å; Y212-V216 HydrophobicContact CD2-CG2 4.39Å; Y212-V216 HydrophobicContact CE1-CG2 3.81Å; Y212-V216 HydrophobicContact CE2-CG2 3.95Å; Y212-V216 WeakPolarHBondContact O-CG2 3.47Å; Y212-V216 PolarHBondContact O-N 3.47Å |
| 213 | R | 86.8 | Confident | 79 | Confident | 149 Ų | 149 | 118.1 Ų | 118.1 | 56% | 0.562 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -57.7 | -48.8 | 174.2 | -179.7 | -176.7 | 171.4 | 121.1 | 9.5 | 111.3 | V208 T209 L210 E211 N215 V216 E217 | V208-R213 HydrophobicContact CG1-CB 4.15Å; T209-R213 PolarHBondContact O-N 3.48Å; L210-R213 PolarHBondContact O-N 3.47Å; E211-R213 VanDerWaalsContact C-N 3.34Å; E211-R213 PolarHBondContact O-N 2.99Å; R213-N215 VanDerWaalsContact C-N 3.32Å; R213-N215 PolarHBondContact O-N 3.17Å; R213-V216 PolarHBondContact O-N 3Å; R213-E217 HydrophobicContact CG-CG 4.4Å; R213-E217 IonicContact CZ-OE1 3.91Å; R213-E217 IonicContact NE-OE1 2.8Å; R213-E217 PolarHBondContact NE-OE1 3.44Å; R213-E217 IonicContact NH2-OE1 3.97Å; R213-E217 PolarHBondContact NH2-OE1 3.32Å; R213-E217 WeakPolarHBondContact O-CB 3.24Å; R213-E217 WeakPolarHBondContact O-CG 3.45Å; R213-E217 PolarHBondContact O-N 3.27Å |
| 214 | H | 87.7 | Confident | 81.3 | Confident | 116 Ų | 116 | 118.4 Ų | 118.4 | 54% | 0.537 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -59.6 | -43.7 | 179.3 | -177 | 60.3 | 0 | 0 | 0 | 111.8 | L210 E211 Y212 E217 Q218 | L210-H214 PolarHBondContact O-N 3.47Å; E211-H214 PolarHBondContact O-N 3.35Å; Y212-H214 PolarHBondContact O-N 3.06Å; H214-E217 PolarHBondContact O-N 2.94Å; H214-Q218 PolarHBondContact O-N 2.96Å |
| 215 | N | 89.3 | Confident | 83.5 | Confident | 75 Ų | 75 | 116.4 Ų | 116.4 | 40% | 0.401 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.7 | -42.9 | 177.9 | -175.7 | 65.1 | 0 | 0 | 0 | 112.5 | E211 Y212 R213 Q218 Q219 | E211-N215 PolarHBondContact O-N 3.23Å; Y212-N215 PolarHBondContact O-N 2.98Å; R213-N215 VanDerWaalsContact C-N 3.32Å; R213-N215 PolarHBondContact O-N 3.17Å; N215-Q218 PolarHBondContact O-N 3.09Å; N215-Q219 WeakPolarHBondContact O-CG 3.46Å; N215-Q219 PolarHBondContact O-N 2.93Å |
| 216 | V | 92.5 | Very high | 85.6 | Confident | 54 Ų | 54 | 112.3 Ų | 112.3 | 33% | 0.327 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.6 | -42.8 | 176.4 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | Y212 R213 Q218 Q219 L220 | Y212-V216 HydrophobicContact CD1-CG2 4.26Å; Y212-V216 HydrophobicContact CD2-CG2 4.39Å; Y212-V216 HydrophobicContact CE1-CG2 3.81Å; Y212-V216 HydrophobicContact CE2-CG2 3.95Å; Y212-V216 WeakPolarHBondContact O-CG2 3.47Å; Y212-V216 PolarHBondContact O-N 3.47Å; R213-V216 PolarHBondContact O-N 3Å; V216-Q218 VanDerWaalsContact C-N 3.32Å; V216-Q218 PolarHBondContact O-N 3.38Å; V216-Q219 PolarHBondContact O-N 3.42Å; V216-L220 VanDerWaalsContact O-CB 3.3Å; V216-L220 WeakPolarHBondContact O-CB 3.29Å; V216-L220 PolarHBondContact O-N 3.3Å |
| 217 | E | 92.4 | Very high | 87.8 | Confident | 90 Ų | 90 | 110.5 Ų | 110.5 | 42% | 0.421 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.2 | -40.6 | 177.1 | -75.5 | 176.2 | 170.1 | 0 | 0 | 111.8 | R213 H214 L220 A221 | R213-E217 HydrophobicContact CG-CG 4.4Å; R213-E217 IonicContact CZ-OE1 3.91Å; R213-E217 IonicContact NE-OE1 2.8Å; R213-E217 PolarHBondContact NE-OE1 3.44Å; R213-E217 IonicContact NH2-OE1 3.97Å; R213-E217 PolarHBondContact NH2-OE1 3.32Å; R213-E217 WeakPolarHBondContact O-CB 3.24Å; R213-E217 WeakPolarHBondContact O-CG 3.45Å; R213-E217 PolarHBondContact O-N 3.27Å; H214-E217 PolarHBondContact O-N 2.94Å; E217-L220 PolarHBondContact O-N 2.97Å; E217-A221 PolarHBondContact O-N 2.94Å |
| 218 | Q | 95.4 | Very high | 90 | Very high | 95 Ų | 95 | 107.2 Ų | 107.2 | 44% | 0.444 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.1 | -49.8 | 175 | -178.1 | -179.9 | -17.9 | 0 | 0 | 111.7 | H214 N215 V216 L220 A221 E222 | H214-Q218 PolarHBondContact O-N 2.96Å; N215-Q218 PolarHBondContact O-N 3.09Å; V216-Q218 VanDerWaalsContact C-N 3.32Å; V216-Q218 PolarHBondContact O-N 3.38Å; Q218-L220 PolarHBondContact O-N 3.34Å; Q218-A221 WeakPolarHBondContact O-CB 3.46Å; Q218-A221 PolarHBondContact O-N 3.44Å; Q218-A221 VanDerWaalsContact O-N 3.09Å; Q218-E222 PolarHBondContact NE2-OE1 3.03Å; Q218-E222 PolarHBondContact O-N 3.16Å |
| 219 | Q | 95.3 | Very high | 91.6 | Very high | 119 Ų | 119 | 105.1 Ų | 105.1 | 56% | 0.556 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.6 | -36.7 | 178.3 | -72.9 | -163.7 | -16.4 | 0 | 0 | 112.2 | N215 V216 A221 E222 M223 | N215-Q219 WeakPolarHBondContact O-CG 3.46Å; N215-Q219 PolarHBondContact O-N 2.93Å; V216-Q219 PolarHBondContact O-N 3.42Å; Q219-A221 VanDerWaalsContact C-N 3.34Å; Q219-E222 PolarHBondContact O-N 2.97Å; Q219-M223 WeakPolarHBondContact O-CB 3.3Å; Q219-M223 PolarHBondContact O-N 3.34Å |
| 220 | L | 96.6 | Very high | 92.5 | Very high | 115 Ų | 115 | 107 Ų | 107 | 60% | 0.602 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.5 | -35.5 | 177.4 | -153.2 | 152.7 | 0 | 0 | 0 | 111.3 | V216 E217 Q218 K224 | V216-L220 VanDerWaalsContact O-CB 3.3Å; V216-L220 WeakPolarHBondContact O-CB 3.29Å; V216-L220 PolarHBondContact O-N 3.3Å; E217-L220 PolarHBondContact O-N 2.97Å; Q218-L220 PolarHBondContact O-N 3.34Å; L220-K224 VanDerWaalsContact O-CB 3.29Å; L220-K224 WeakPolarHBondContact O-CB 3.34Å; L220-K224 PolarHBondContact O-N 2.98Å |
| 221 | A | 96.2 | Very high | 93.3 | Very high | 53 Ų | 53 | 101.9 Ų | 101.9 | 44% | 0.438 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.4 | -44.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E217 Q218 Q219 K224 M225 | E217-A221 PolarHBondContact O-N 2.94Å; Q218-A221 WeakPolarHBondContact O-CB 3.46Å; Q218-A221 PolarHBondContact O-N 3.44Å; Q218-A221 VanDerWaalsContact O-N 3.09Å; Q219-A221 VanDerWaalsContact C-N 3.34Å; A221-K224 WeakPolarHBondContact O-CB 3.3Å; A221-K224 PolarHBondContact O-N 2.75Å; A221-M225 WeakPolarHBondContact O-CG 3.38Å; A221-M225 PolarHBondContact O-N 3.36Å |
| 222 | E | 96.5 | Very high | 94.1 | Very high | 110 Ų | 110 | 99.3 Ų | 99.3 | 51% | 0.514 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.1 | -46.2 | 175.7 | -70.8 | 172.1 | -169.2 | 0 | 0 | 111.2 | Q218 Q219 K224 M225 L226 | Q218-E222 PolarHBondContact NE2-OE1 3.03Å; Q218-E222 PolarHBondContact O-N 3.16Å; Q219-E222 PolarHBondContact O-N 2.97Å; E222-K224 VanDerWaalsContact C-N 3.31Å; E222-K224 PolarHBondContact O-N 3.14Å; E222-M225 PolarHBondContact O-N 3.11Å; E222-L226 PolarHBondContact O-N 3.41Å |
| 223 | M | 97.4 | Very high | 94.7 | Very high | 130 Ų | 130 | 102.3 Ų | 102.3 | 64% | 0.64 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.4 | -39.7 | 176.4 | -173 | 174.2 | 173.1 | 0 | 0 | 111.6 | Q219 L226 V227 | Q219-M223 WeakPolarHBondContact O-CB 3.3Å; Q219-M223 PolarHBondContact O-N 3.34Å; M223-L226 PolarHBondContact O-N 3.29Å; M223-V227 VanDerWaalsContact O-CG2 3.3Å; M223-V227 WeakPolarHBondContact O-CG2 3.46Å; M223-V227 PolarHBondContact O-N 2.98Å |
| 224 | K | 96.4 | Very high | 95.1 | Very high | 144 Ų | 144 | 99.9 Ų | 99.9 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.1 | -44.8 | 175.1 | -177.4 | -178.6 | 178.5 | -176.6 | 0 | 111.7 | L220 A221 E222 L226 V227 V228 | L220-K224 VanDerWaalsContact O-CB 3.29Å; L220-K224 WeakPolarHBondContact O-CB 3.34Å; L220-K224 PolarHBondContact O-N 2.98Å; A221-K224 WeakPolarHBondContact O-CB 3.3Å; A221-K224 PolarHBondContact O-N 2.75Å; E222-K224 VanDerWaalsContact C-N 3.31Å; E222-K224 PolarHBondContact O-N 3.14Å; K224-L226 VanDerWaalsContact C-N 3.33Å; K224-L226 PolarHBondContact O-N 2.94Å; K224-V227 PolarHBondContact O-N 3.16Å; K224-V228 HydrophobicContact CG-CG2 4.47Å; K224-V228 VanDerWaalsContact O-CG2 3.3Å; K224-V228 WeakPolarHBondContact O-CG2 3.29Å; K224-V228 PolarHBondContact O-N 3.41Å |
| 225 | M | 96.6 | Very high | 95.4 | Very high | 140 Ų | 140 | 100.6 Ų | 100.6 | 69% | 0.69 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.7 | -43.5 | 177.9 | -71.1 | -65.1 | -64.8 | 0 | 0 | 111.5 | A221 E222 V228 S229 | A221-M225 WeakPolarHBondContact O-CG 3.38Å; A221-M225 PolarHBondContact O-N 3.36Å; E222-M225 PolarHBondContact O-N 3.11Å; M225-V228 PolarHBondContact O-N 3.49Å; M225-S229 WeakPolarHBondContact O-CB 3.42Å; M225-S229 PolarHBondContact O-N 3.4Å |
| 226 | L | 96.9 | Very high | 95.5 | Very high | 104 Ų | 104 | 102.4 Ų | 102.4 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 177.8 | -176.1 | 136.4 | 0 | 0 | 0 | 112 | E222 M223 K224 V228 S229 M230 | E222-L226 PolarHBondContact O-N 3.41Å; M223-L226 PolarHBondContact O-N 3.29Å; K224-L226 VanDerWaalsContact C-N 3.33Å; K224-L226 PolarHBondContact O-N 2.94Å; L226-V228 PolarHBondContact O-N 2.74Å; L226-S229 PolarHBondContact O-N 3.06Å; L226-M230 HydrophobicContact CD2-CG 4.48Å; L226-M230 HydrophobicContact CD2-SD 3.66Å; L226-M230 HydrophobicContact CG-SD 4.46Å; L226-M230 WeakPolarHBondContact O-CG 3.39Å; L226-M230 PolarHBondContact O-N 3.26Å |
| 227 | V | 97.4 | Very high | 95.5 | Very high | 78 Ų | 78 | 104.2 Ų | 104.2 | 47% | 0.473 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 179.1 | 171.9 | 0 | 0 | 0 | 0 | 111.6 | M223 K224 M230 A231 | M223-V227 VanDerWaalsContact O-CG2 3.3Å; M223-V227 WeakPolarHBondContact O-CG2 3.46Å; M223-V227 PolarHBondContact O-N 2.98Å; K224-V227 PolarHBondContact O-N 3.16Å; V227-M230 PolarHBondContact O-N 3.48Å; V227-A231 WeakPolarHBondContact O-CB 3.25Å; V227-A231 PolarHBondContact O-N 2.99Å |
| 228 | V | 96.7 | Very high | 95.4 | Very high | 85 Ų | 85 | 106.2 Ų | 106.2 | 52% | 0.515 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.9 | -42 | 176.9 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | K224 M225 L226 M230 A231 Q232 | K224-V228 HydrophobicContact CG-CG2 4.47Å; K224-V228 VanDerWaalsContact O-CG2 3.3Å; K224-V228 WeakPolarHBondContact O-CG2 3.29Å; K224-V228 PolarHBondContact O-N 3.41Å; M225-V228 PolarHBondContact O-N 3.49Å; L226-V228 PolarHBondContact O-N 2.74Å; V228-M230 VanDerWaalsContact C-N 3.34Å; V228-M230 PolarHBondContact O-N 3.19Å; V228-A231 PolarHBondContact O-N 3.23Å; V228-Q232 PolarHBondContact O-N 3.38Å |
| 229 | S | 96.4 | Very high | 95 | Very high | 63 Ų | 63 | 104.2 Ų | 104.2 | 44% | 0.441 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 176 | 176.4 | 0 | 0 | 0 | 0 | 112.3 | M225 L226 Q232 R233 | M225-S229 WeakPolarHBondContact O-CB 3.42Å; M225-S229 PolarHBondContact O-N 3.4Å; L226-S229 PolarHBondContact O-N 3.06Å; S229-Q232 PolarHBondContact O-N 3.15Å; S229-R233 WeakPolarHBondContact O-CG 3.49Å; S229-R233 PolarHBondContact O-N 3.04Å; S229-R233 VanDerWaalsContact O-N 3.11Å |
| 230 | M | 96.4 | Very high | 94.3 | Very high | 112 Ų | 112 | 100.4 Ų | 100.4 | 55% | 0.552 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.3 | -43.2 | 174.4 | -72.3 | -179.5 | 67.5 | 0 | 0 | 111.9 | L226 V227 V228 R233 L234 | L226-M230 HydrophobicContact CD2-CG 4.48Å; L226-M230 HydrophobicContact CD2-SD 3.66Å; L226-M230 HydrophobicContact CG-SD 4.46Å; L226-M230 WeakPolarHBondContact O-CG 3.39Å; L226-M230 PolarHBondContact O-N 3.26Å; V227-M230 PolarHBondContact O-N 3.48Å; V228-M230 VanDerWaalsContact C-N 3.34Å; V228-M230 PolarHBondContact O-N 3.19Å; M230-R233 PolarHBondContact O-N 3.42Å; M230-L234 WeakPolarHBondContact O-CG 3.39Å; M230-L234 PolarHBondContact O-N 3.11Å |
| 231 | A | 95.5 | Very high | 93.4 | Very high | 44 Ų | 44 | 99.6 Ų | 99.6 | 36% | 0.364 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.4 | -45.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V227 V228 R233 L234 E235 | V227-A231 WeakPolarHBondContact O-CB 3.25Å; V227-A231 PolarHBondContact O-N 2.99Å; V228-A231 PolarHBondContact O-N 3.23Å; A231-R233 PolarHBondContact O-N 3.34Å; A231-L234 WeakPolarHBondContact O-CB 3.3Å; A231-L234 PolarHBondContact O-N 2.93Å; A231-L234 VanDerWaalsContact O-N 3.15Å; A231-E235 PolarHBondContact O-N 2.74Å |
| 232 | Q | 95.3 | Very high | 92.2 | Very high | 107 Ų | 107 | 104.3 Ų | 104.3 | 50% | 0.5 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 177.1 | -174.5 | -175.2 | -19.3 | 0 | 0 | 112.1 | V228 S229 L234 E235 E236 | V228-Q232 PolarHBondContact O-N 3.38Å; S229-Q232 PolarHBondContact O-N 3.15Å; Q232-L234 VanDerWaalsContact C-N 3.27Å; Q232-L234 PolarHBondContact O-N 3.34Å; Q232-E235 PolarHBondContact O-N 2.95Å; Q232-E236 PolarHBondContact NE2-OE1 2.93Å; Q232-E236 VanDerWaalsContact NE2-OE1 3.17Å; Q232-E236 WeakPolarHBondContact O-CG 3.46Å; Q232-E236 PolarHBondContact O-N 3.18Å |
| 233 | R | 95.4 | Very high | 90.8 | Very high | 165 Ų | 165 | 106.2 Ų | 106.2 | 62% | 0.623 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.9 | -32 | 177.5 | -72.5 | -174.3 | 66.5 | -164.4 | -2.2 | 112.8 | S229 M230 A231 I237 | S229-R233 WeakPolarHBondContact O-CG 3.49Å; S229-R233 PolarHBondContact O-N 3.04Å; S229-R233 VanDerWaalsContact O-N 3.11Å; M230-R233 PolarHBondContact O-N 3.42Å; A231-R233 PolarHBondContact O-N 3.34Å; R233-I237 WeakPolarHBondContact O-CD1 3.41Å; R233-I237 VanDerWaalsContact O-CG1 3.25Å; R233-I237 WeakPolarHBondContact O-CG1 3.49Å; R233-I237 PolarHBondContact O-N 3.4Å |
| 234 | L | 94.9 | Very high | 89 | Confident | 99 Ų | 99 | 107.1 Ų | 107.1 | 52% | 0.518 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.3 | -43.1 | 174.4 | -73.8 | 170.1 | 0 | 0 | 0 | 111.2 | M230 A231 Q232 E236 I237 E238 | M230-L234 WeakPolarHBondContact O-CG 3.39Å; M230-L234 PolarHBondContact O-N 3.11Å; A231-L234 WeakPolarHBondContact O-CB 3.3Å; A231-L234 PolarHBondContact O-N 2.93Å; A231-L234 VanDerWaalsContact O-N 3.15Å; Q232-L234 VanDerWaalsContact C-N 3.27Å; Q232-L234 PolarHBondContact O-N 3.34Å; L234-E236 VanDerWaalsContact C-N 3.31Å; L234-E236 PolarHBondContact O-N 3.03Å; L234-I237 PolarHBondContact O-N 3.37Å; L234-E238 WeakPolarHBondContact O-CB 3.37Å; L234-E238 WeakPolarHBondContact O-CG 3.43Å; L234-E238 PolarHBondContact O-N 3.26Å |
| 235 | E | 93.9 | Very high | 87.2 | Confident | 130 Ų | 130 | 104.9 Ų | 104.9 | 61% | 0.607 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -58.9 | -41.4 | 175.2 | -73.2 | 175.6 | -172.4 | 0 | 0 | 112 | A231 Q232 I237 E238 A239 | A231-E235 PolarHBondContact O-N 2.74Å; Q232-E235 PolarHBondContact O-N 2.95Å; E235-I237 PolarHBondContact O-N 3.13Å; E235-E238 PolarHBondContact O-N 3.06Å; E235-A239 WeakPolarHBondContact O-CB 3.41Å; E235-A239 PolarHBondContact O-N 3.4Å |
| 236 | E | 92.1 | Very high | 85.3 | Confident | 113 Ų | 113 | 105 Ų | 105 | 53% | 0.528 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.6 | -40.9 | 176.2 | -72 | 169.4 | -167.9 | 0 | 0 | 112.3 | Q232 L234 G240 | Q232-E236 PolarHBondContact NE2-OE1 2.93Å; Q232-E236 VanDerWaalsContact NE2-OE1 3.17Å; Q232-E236 WeakPolarHBondContact O-CG 3.46Å; Q232-E236 PolarHBondContact O-N 3.18Å; L234-E236 VanDerWaalsContact C-N 3.31Å; L234-E236 PolarHBondContact O-N 3.03Å; E236-G240 PolarHBondContact O-N 3.05Å; E236-G240 VanDerWaalsContact O-N 3.16Å |
| 237 | I | 92.8 | Very high | 83.3 | Confident | 93 Ų | 93 | 108.8 Ų | 108.8 | 48% | 0.477 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69.9 | -42.8 | 177.6 | -67.2 | 165.1 | 0 | 0 | 0 | 110.9 | R233 L234 E235 A239 G240 L241 | R233-I237 WeakPolarHBondContact O-CD1 3.41Å; R233-I237 VanDerWaalsContact O-CG1 3.25Å; R233-I237 WeakPolarHBondContact O-CG1 3.49Å; R233-I237 PolarHBondContact O-N 3.4Å; L234-I237 PolarHBondContact O-N 3.37Å; E235-I237 PolarHBondContact O-N 3.13Å; I237-A239 VanDerWaalsContact C-N 3.32Å; I237-A239 PolarHBondContact O-N 3.44Å; I237-G240 PolarHBondContact O-N 2.87Å; I237-L241 HydrophobicContact CG2-CD1 3.96Å; I237-L241 WeakPolarHBondContact O-CG 3.36Å; I237-L241 PolarHBondContact O-N 3.2Å |
| 238 | E | 88.4 | Confident | 80.9 | Confident | 131 Ų | 131 | 112.2 Ų | 112.2 | 61% | 0.612 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.2 | -38.3 | 177.6 | -74.8 | 178.9 | -177.6 | 0 | 0 | 112 | L234 E235 K242 | L234-E238 WeakPolarHBondContact O-CB 3.37Å; L234-E238 WeakPolarHBondContact O-CG 3.43Å; L234-E238 PolarHBondContact O-N 3.26Å; E235-E238 PolarHBondContact O-N 3.06Å; E238-K242 PolarHBondContact O-N 3.2Å |
| 239 | A | 88.3 | Confident | 80.1 | Confident | 54 Ų | 54 | 113.6 Ų | 113.6 | 45% | 0.446 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.9 | -47.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | E235 I237 L241 K242 E243 | E235-A239 WeakPolarHBondContact O-CB 3.41Å; E235-A239 PolarHBondContact O-N 3.4Å; I237-A239 VanDerWaalsContact C-N 3.32Å; I237-A239 PolarHBondContact O-N 3.44Å; A239-L241 VanDerWaalsContact C-N 3.34Å; A239-L241 PolarHBondContact O-N 3.4Å; A239-K242 WeakPolarHBondContact O-CB 3.47Å; A239-K242 PolarHBondContact O-N 3.38Å; A239-K242 VanDerWaalsContact O-N 3.11Å; A239-E243 PolarHBondContact O-N 3.31Å |
| 240 | G | 81.2 | Confident | 79.2 | Confident | 39 Ų | 39 | 116.3 Ų | 116.3 | 40% | 0.402 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -62.3 | -37.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | E236 I237 K242 E244 | E236-G240 PolarHBondContact O-N 3.05Å; E236-G240 VanDerWaalsContact O-N 3.16Å; I237-G240 PolarHBondContact O-N 2.87Å; G240-K242 VanDerWaalsContact C-N 3.26Å; G240-K242 PolarHBondContact O-N 2.88Å; G240-E244 PolarHBondContact O-N 3.2Å |
| 241 | L | 77.5 | Confident | 78.3 | Confident | 98 Ų | 98 | 116.5 Ų | 116.5 | 51% | 0.513 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -66.8 | -26.4 | 175.1 | -76.6 | 165.7 | 0 | 0 | 0 | 113.3 | I237 A239 | I237-L241 HydrophobicContact CG2-CD1 3.96Å; I237-L241 WeakPolarHBondContact O-CG 3.36Å; I237-L241 PolarHBondContact O-N 3.2Å; A239-L241 VanDerWaalsContact C-N 3.34Å; A239-L241 PolarHBondContact O-N 3.4Å |
| 242 | K | 70.2 | Confident | 77.2 | Confident | 152 Ų | 152 | 120.8 Ų | 120.8 | 66% | 0.661 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -77.7 | -38.4 | -179.4 | -143.5 | 168.9 | -174.5 | 175.9 | 0 | 111.6 | E238 A239 G240 E244 C245 D246 | E238-K242 PolarHBondContact O-N 3.2Å; A239-K242 WeakPolarHBondContact O-CB 3.47Å; A239-K242 PolarHBondContact O-N 3.38Å; A239-K242 VanDerWaalsContact O-N 3.11Å; G240-K242 VanDerWaalsContact C-N 3.26Å; G240-K242 PolarHBondContact O-N 2.88Å; K242-E244 VanDerWaalsContact C-N 3.29Å; K242-E244 PolarHBondContact O-N 3.46Å; K242-C245 PolarHBondContact O-N 2.96Å; K242-D246 PolarHBondContact O-N 3.31Å |
| 243 | E | 66.8 | Low | 76.1 | Confident | 149 Ų | 149 | 121.6 Ų | 121.6 | 70% | 0.696 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -65 | -32.7 | 174.9 | -64.9 | -170.6 | 172 | 0 | 0 | 112.3 | A239 C245 | A239-E243 PolarHBondContact O-N 3.31Å; E243-C245 VanDerWaalsContact C-N 3.28Å; E243-C245 PolarHBondContact O-N 3.31Å |
| 244 | E | 60.5 | Low | 74.8 | Confident | 150 Ų | 150 | 118.7 Ų | 118.7 | 70% | 0.701 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -74.3 | -16.7 | 178.4 | -146.2 | 172.4 | -156.4 | 0 | 0 | 113.3 | G240 K242 | G240-E244 PolarHBondContact O-N 3.2Å; K242-E244 VanDerWaalsContact C-N 3.29Å; K242-E244 PolarHBondContact O-N 3.46Å |
| 245 | C | 58 | Low | 73.4 | Confident | 96 Ų | 96 | 120.1 Ų | 120.1 | 65% | 0.649 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -95.7 | -19.2 | 177.9 | -75.5 | 0 | 0 | 0 | 0 | 113.8 | K242 E243 | K242-C245 PolarHBondContact O-N 2.96Å; E243-C245 VanDerWaalsContact C-N 3.28Å; E243-C245 PolarHBondContact O-N 3.31Å |
| 246 | D | 56.7 | Low | 71.8 | Confident | 142 Ų | 142 | 119.4 Ų | 119.4 | 76% | 0.759 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -86.9 | -7.9 | 177.5 | -73.4 | -29.2 | 0 | 0 | 0 | 112.8 | K242 | K242-D246 PolarHBondContact O-N 3.31Å |
| 247 | E | 54.2 | Low | 70.1 | Confident | 184 Ų | 184 | 119.9 Ų | 119.9 | 86% | 0.86 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | 8.9 | 176 | -77.4 | -112 | 148.5 | 0 | 0 | 114.1 | ||
| 248 | A | 47.1 | Very low | 68.1 | Low | 151 Ų | 151 | 122.4 Ų | 122.4 | 100% | 1.248 | 69% | 0.686 | S | S | * | * | trans | -109 | 0 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 |
Retrieved 248 of 248 residues in 331.9 ms
(Link to these results)